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112-31-2

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112-31-2 Usage

General Description

Decanal, also known as decyl aldehyde, is a straight-chain aldehyde with a ten-carbon backbone and the molecular formula C10H20O. It is a colorless liquid with a strong, fatty odor that is naturally found in citrus fruits, like oranges and lemons, and other essential oils. Decanal is commonly used as a flavoring agent in the food industry and as a fragrance ingredient in the cosmetic and personal care products industry. It is also utilized in the production of perfumes, soaps, and other household products. In addition, decanal has been investigated for its potential antimicrobial and insecticidal properties, making it a valuable component in pest control and preservation applications. However, it is important to handle decanal with care, as high concentrations of the chemical can cause irritation to the skin, eyes, and respiratory system.

Check Digit Verification of cas no

The CAS Registry Mumber 112-31-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 112-31:
(5*1)+(4*1)+(3*2)+(2*3)+(1*1)=22
22 % 10 = 2
So 112-31-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

112-31-2 Well-known Company Product Price

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  • TCI America

  • (D0032)  Decanal  >97.0%(GC)

  • 112-31-2

  • 25mL

  • 115.00CNY

  • Detail
  • TCI America

  • (D0032)  Decanal  >97.0%(GC)

  • 112-31-2

  • 500mL

  • 595.00CNY

  • Detail
  • Alfa Aesar

  • (A11656)  Decanal, 96%   

  • 112-31-2

  • 100ml

  • 348.0CNY

  • Detail
  • Alfa Aesar

  • (A11656)  Decanal, 96%   

  • 112-31-2

  • 500ml

  • 1249.0CNY

  • Detail

112-31-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name decanal

1.2 Other means of identification

Product number -
Other names Decyl aldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fragrances
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:112-31-2 SDS

112-31-2Synthetic route

1-Decanol
112-30-1

1-Decanol

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With air; poly-alkylated (nitrosyl)Ru(salen) In benzene-d6 at 20℃; for 12h; Irradiation;100%
With air; 1-Phenylethanol; (nitrosyl)Ru(salen) In benzene-d6 at 20℃; for 24h; Product distribution; Further Variations:; Catalysts; Temperatures; Irradiation;100%
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; copper(I) bromide dimethylsulfide complex In chlorobenzene at 90℃; for 7h;100%
2-nonyl-1,3-dithiane
42196-81-6

2-nonyl-1,3-dithiane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Ambient temperature;100%
With K-10 clay supported iron(III) nitrate nonahydrate In dichloromethane for 4h; Ambient temperature; with K-10 clay-supported copper(II) nitrate trihydrate;99.1%
With nitric acid; arsenic(III) trioxide In dichloromethane at 0 - 5℃;96%
With iodine; silver nitrate In tetrahydrofuran for 6h; Ambient temperature;88%
1,1-dimethoxy decane
7779-41-1

1,1-dimethoxy decane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave;100%
With C11H10N2O2Pd(1+)*ClO4(1-); water In acetonitrile at 50℃; Reagent/catalyst; Temperature;96%
With polymer-supported dicyanoketene acetal; water In acetonitrile at 20℃; for 0.5h; Hydrolysis;17%
Multi-step reaction with 2 steps
1: 92 percent / CH2Cl2 / 0.5 h / 0 °C
2: 100 percent / PPTS; water / acetone / 2 h
View Scheme
decanal diethyl acetal
34764-02-8

decanal diethyl acetal

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave;100%
indium(III) chloride In methanol; water for 1.41667h; Heating;96%
Stage #1: decanal diethyl acetal With 2,4,6-trimethyl-pyridine; triethylsilyl trifluoromethyl sulfonate In dichloromethane at 0℃; for 2h;
Stage #2: With water In dichloromethane for 0.1h;
85%
1-(1-methoxydecyl)pyridinium trifluoromethanesulfonate

1-(1-methoxydecyl)pyridinium trifluoromethanesulfonate

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With water; pyridinium p-toluenesulfonate In acetone for 2h;100%
1-decyne
764-93-2

1-decyne

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With C71H80N3P2Ru*F6P(1-); water In acetone at 60℃; for 18h; Inert atmosphere;99%
With benzo[1,3,2]dioxaborole In tetrahydrofuran for 12h; Heating; hydroboration of alkenes and alkynes; var. reaction partners;90%
With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; 5,5′-bis(trifluoromethyl)-2,2′-bipyridine In 1-methyl-pyrrolidin-2-one; water at 25℃; for 24h; Inert atmosphere; Autoclave;90%
1-Decanol
112-30-1

1-Decanol

A

caprinaldehyde
112-31-2

caprinaldehyde

B

decyl decanoate
1654-86-0

decyl decanoate

Conditions
ConditionsYield
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethaneA 99%
B n/a
With oxygen at 60℃; under 760.051 Torr; for 24h; Irradiation;A 6%
B 47%
With 4-(benzyloxycarbonyl)-2,2,6,6-tetramethylpiperidine-1-oxyl; sodium hydrogencarbonate; pyridinium hydrobromide perbromide In dichloromethane; water at 0 - 4℃;
With 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h;A 22 %Chromat.
B 16 %Chromat.
In hexane at 180℃; for 5h;A 7 %Chromat.
B 12 %Chromat.
decanoic acid Li-salt

decanoic acid Li-salt

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;98%
1-decanoic acid
334-48-5

1-decanoic acid

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature;97%
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;94%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;92%
1,1-decanediol diacetate
1797-17-7

1,1-decanediol diacetate

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With tetra-N-butylammonium tribromide In methanol at 20℃; for 0.25h;97%
With sodium hydrogen sulfate; PEG-2000 at 70℃; for 0.583333h;88%
With iron(II) sulfate In toluene for 10h; Heating; Yield given;
decyl chloride
1002-69-3

decyl chloride

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With trimethylamine-N-oxide In dimethyl sulfoxide for 24h; Ambient temperature;95%
methoxyethoxymethyl ether of (E)-1-trimethylsilyl-1-tridecen-4-ol

methoxyethoxymethyl ether of (E)-1-trimethylsilyl-1-tridecen-4-ol

A

caprinaldehyde
112-31-2

caprinaldehyde

B

6-nonyl-5,6-dihydro-2H-pyran

6-nonyl-5,6-dihydro-2H-pyran

Conditions
ConditionsYield
With titanium tetrachloride In dichloromethane at -78℃; Yields of byproduct given;A n/a
B 95%
2-n-nonyl-1,3-dioxolane
4353-06-4

2-n-nonyl-1,3-dioxolane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With iron(III) chloride In dichloromethane for 1h; Product distribution; Ambient temperature; other solvent, temperature;95%
indium(III) chloride In methanol; water for 1.41667h; Heating;86%
With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h;79%
n-decanal oxime
13372-74-2

n-decanal oxime

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With γ-picolinium chlorochromate In dichloromethane at 20℃; for 4h;95%
With potassium permanganate; montmorillonite K-10 for 0.833333h;93%
With γ-picolinium chlorochromate; silica gel In dichloromethane at 20℃; for 8h;91%
4-(4-Methoxy-phenyl)-2-nonyl-[1,3]dioxolane
154410-50-1

4-(4-Methoxy-phenyl)-2-nonyl-[1,3]dioxolane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water Ambient temperature;94%
2-Nonyl-benzo[1,3]oxathiole
77863-77-5

2-Nonyl-benzo[1,3]oxathiole

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Ambient temperature;92%
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Product distribution; Ambient temperature; various 1,3-benzoxathioles;92%
2-nonyl-1,3-oxathiolane
69895-04-1

2-nonyl-1,3-oxathiolane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With perchloric acid; dihydrogen peroxide; ammonium bromide; molybdic acid In dichloromethane at 0 - 5℃; for 1.5h;90%
With Glyoxilic acid; Amberlyst 15 at 80℃; for 3h;80%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With potassium carbonate90%
1,2-Epoxydecane
2404-44-6

1,2-Epoxydecane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate In benzene at 80℃; for 10h;89%
methanol
67-56-1

methanol

1-decenyl dimethyl phosphate
74532-26-6, 74532-27-7

1-decenyl dimethyl phosphate

A

trimethyl phosphite
512-56-1

trimethyl phosphite

B

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With cesium fluoride at 65℃; for 22h;A 67%
B 88%
1-decenyl dimethyl phosphate
74532-26-6, 74532-27-7

1-decenyl dimethyl phosphate

A

trimethyl phosphite
512-56-1

trimethyl phosphite

B

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With methanol; cesium fluoride at 65℃; for 22h;A 67%
B 88%
sodium decanoate
1002-62-6

sodium decanoate

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;88%
1,1-Bis-ethylsulfanyl-decane
69895-01-8

1,1-Bis-ethylsulfanyl-decane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With K-10 clay supported copper(II) nitrate trihydrate In dichloromethane for 3h; Ambient temperature; with K-10 clay-supported iron(III) nitrate nonahydrate;87.5%
With K-10 clay supported copper(II) nitrate trihydrate In dichloromethane for 3h; Ambient temperature; K-10 clay supported iron(III) nitrate nonahydrate;87.5%
1-Bromononane
693-58-3

1-Bromononane

carbon monoxide
201230-82-2

carbon monoxide

A

caprinaldehyde
112-31-2

caprinaldehyde

B

nonane
111-84-2

nonane

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); α,α,α-trifluorotoluene; tri-n-butyl-tin hydride at 80℃; under 60800 Torr; for 2h;A 87%
B 8%
N,N-diethyldecanamide
2602-61-1

N,N-diethyldecanamide

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 0.0333333h; Inert atmosphere;87%
Multi-step reaction with 2 steps
1: Ti(O-i-Pr)4, Ph2SiH2 / 20 °C
2: 1 M aq. HCl / tetrahydrofuran / 20 °C
View Scheme
1-bromo dodecane
112-29-8

1-bromo dodecane

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With dimethyl sulfoxide for 0.0666667h; Kornblum oxidation; Microwave irradiation;85%
With trimethylamine-N-oxide In dimethyl sulfoxide for 5h; Ambient temperature;81%
With 4-methylmorpholine N-oxide; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; potassium iodide at 100℃; for 0.0833333h; Microwave irradiation; Ionic liquid;80%
1-(Decanoyl-methyl-amino)-3-methyl-3H-imidazol-1-ium; iodide

1-(Decanoyl-methyl-amino)-3-methyl-3H-imidazol-1-ium; iodide

A

caprinaldehyde
112-31-2

caprinaldehyde

B

3-methyl-1-methylamino-3H-imidazol-1-ium iodide

3-methyl-1-methylamino-3H-imidazol-1-ium iodide

Conditions
ConditionsYield
With diisobutylaluminium hydride In tetrahydrofuran at -10 - 20℃; for 0.5h;A 83%
B n/a
C17H38O2Si

C17H38O2Si

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; water at 30℃; for 4h;83%
3,4,4-Trimethyl-2-nonyl-oxazolidine
114246-23-0

3,4,4-Trimethyl-2-nonyl-oxazolidine

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With oxonium82%
1-(dimethylphenylsilyl)decan-1-ol
125828-06-0

1-(dimethylphenylsilyl)decan-1-ol

caprinaldehyde
112-31-2

caprinaldehyde

Conditions
ConditionsYield
With chromium(VI) oxide In dimethyl sulfoxide at 25℃;82%
caprinaldehyde
112-31-2

caprinaldehyde

1-decanoic acid
334-48-5

1-decanoic acid

Conditions
ConditionsYield
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 4h; Heating;100%
With palladium 10% on activated carbon; water; sodium hydroxide at 80℃; under 600.06 Torr; for 6h;99%
With dihydrogen peroxide In acetic acid at 90℃; for 7h;97%
caprinaldehyde
112-31-2

caprinaldehyde

Triphenylmethanesulfenamide
38499-08-0

Triphenylmethanesulfenamide

C29H35NS
86864-25-7

C29H35NS

Conditions
ConditionsYield
With pyridinium p-toluenesulfonate; magnesium sulfate In dichloromethane for 2h; Ambient temperature;100%
caprinaldehyde
112-31-2

caprinaldehyde

allyl-trimethyl-silane
762-72-1

allyl-trimethyl-silane

(3R,4R)-3-Trimethylsilanyl-tridec-1-en-4-ol

(3R,4R)-3-Trimethylsilanyl-tridec-1-en-4-ol

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; Bu3SnCl-BF3; tert.-butyl lithium In tetrahydrofuran -78 deg C to r.t.;100%
caprinaldehyde
112-31-2

caprinaldehyde

(methoxymethoxy)methane-1,1-dicarbonitrile

(methoxymethoxy)methane-1,1-dicarbonitrile

2-(1-hydroxy-decyl)-2-methoxymethoxy-malononitrile

2-(1-hydroxy-decyl)-2-methoxymethoxy-malononitrile

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 5h; Addition;100%
caprinaldehyde
112-31-2

caprinaldehyde

decanoyl azide
157071-26-6

decanoyl azide

Conditions
ConditionsYield
With sodium azide; Iodine monochloride In acetonitrile at 25℃; for 2.5h;100%
caprinaldehyde
112-31-2

caprinaldehyde

n-decanal hydrazone
850532-89-7

n-decanal hydrazone

Conditions
ConditionsYield
With hydrazine hydrate at 100℃;100%
caprinaldehyde
112-31-2

caprinaldehyde

(S)-2-amino-3-phenylpropionamide hydrochloride
65864-22-4

(S)-2-amino-3-phenylpropionamide hydrochloride

(5S)-5-benzyl-2-nonylimidazolidin-4-one
1084907-57-2

(5S)-5-benzyl-2-nonylimidazolidin-4-one

Conditions
ConditionsYield
With potassium carbonate; triethylamine In ethanol at 60℃; for 24h;100%
caprinaldehyde
112-31-2

caprinaldehyde

tert-butyl 1-(2-methylallyl)hydrazinecarboxylate
1005794-49-9

tert-butyl 1-(2-methylallyl)hydrazinecarboxylate

tert-butyl 2-decylidene-1-(2-methylallyl)hydrazinecarboxylate
1226754-69-3

tert-butyl 2-decylidene-1-(2-methylallyl)hydrazinecarboxylate

Conditions
ConditionsYield
In ethanol at 20℃; for 24h; Inert atmosphere;100%
caprinaldehyde
112-31-2

caprinaldehyde

ethyl 2-cyanoacetate
105-56-6

ethyl 2-cyanoacetate

ethyl 2-amino-5-octylthiophene-3-carboxylate
1498335-42-4

ethyl 2-amino-5-octylthiophene-3-carboxylate

Conditions
ConditionsYield
With sulfur; triethylamine In ethanol at 60℃; Inert atmosphere;100%
With sulfur; triethylamine In ethanol Inert atmosphere;
caprinaldehyde
112-31-2

caprinaldehyde

4-Fluorothiophenol
371-42-6

4-Fluorothiophenol

decan-1,1-diylbis((4-fluorophenyl)sulfane)

decan-1,1-diylbis((4-fluorophenyl)sulfane)

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 120℃; for 15h; Inert atmosphere; Schlenk technique;100%
caprinaldehyde
112-31-2

caprinaldehyde

thiophenol
108-98-5

thiophenol

decan-1,1-diylbis(phenylsulfane)

decan-1,1-diylbis(phenylsulfane)

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 120℃; for 15h; Inert atmosphere; Schlenk technique;100%
caprinaldehyde
112-31-2

caprinaldehyde

methanesulfonic acid
75-75-2

methanesulfonic acid

C11H21O3S(1-)*Na(1+)

C11H21O3S(1-)*Na(1+)

Conditions
ConditionsYield
With sodium butanolate In butan-1-ol Reflux;100%
caprinaldehyde
112-31-2

caprinaldehyde

1-Decanol
112-30-1

1-Decanol

Conditions
ConditionsYield
With C43H42N2O4P2Ru; hydrogen In isopropyl alcohol at 100℃; under 22801.5 Torr; for 24h; Pressure; Glovebox; Autoclave;99%
antimony(III) chloride; aluminium In water; N,N-dimethyl-formamide for 3h; Ambient temperature;98%
With water; antimony(III) chloride; aluminium In N,N-dimethyl-formamide for 3h; Ambient temperature;98%
caprinaldehyde
112-31-2

caprinaldehyde

1,4-dibromo-2-(bromomethyl)but-2-ene
83889-55-8

1,4-dibromo-2-(bromomethyl)but-2-ene

3-Methylene-tetradec-1-en-5-ol

3-Methylene-tetradec-1-en-5-ol

Conditions
ConditionsYield
With zinc In N,N-dimethyl-formamide at 0℃; for 2h;99%
With zinc In tetrahydrofuran 1.) reflux, 2 h; 2.) room. temp., 2 h;87%
caprinaldehyde
112-31-2

caprinaldehyde

allylmagnesium bromide
1730-25-2

allylmagnesium bromide

1-tridecen-4-ol
117951-87-8

1-tridecen-4-ol

Conditions
ConditionsYield
In diethyl ether at -42 - 20℃; for 2h;99%
In tetrahydrofuran for 4h;33%
With water 1) Et2O, 0 deg C to r.t., 2 h; Yield given. Multistep reaction;
caprinaldehyde
112-31-2

caprinaldehyde

ethane-1,2-dithiol
540-63-6

ethane-1,2-dithiol

2-nonyl-1,3-dithiolane
131195-53-4

2-nonyl-1,3-dithiolane

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 1h; Ambient temperature;99%
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 0.5h;95%
With tetrabutylammomium bromide at 90 - 100℃; for 3.7h;91%
caprinaldehyde
112-31-2

caprinaldehyde

Methyl diethylphosphonoacetate
1067-74-9

Methyl diethylphosphonoacetate

methyl (E)-dodec-2-enolate
6208-91-9

methyl (E)-dodec-2-enolate

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at -78 - 25℃; Condensation; Wadsworth-Emmons reaction;99%
caprinaldehyde
112-31-2

caprinaldehyde

Ethyl bromodifluoroacetate
667-27-6

Ethyl bromodifluoroacetate

2,2-difluoro-3-hydroxydodecanoic acid ethyl ester
172941-62-7

2,2-difluoro-3-hydroxydodecanoic acid ethyl ester

Conditions
ConditionsYield
With zinc In tetrahydrofuran at 20℃; for 3h;99%
With zinc In tetrahydrofuran Condensation; Heating;56%
With chloro-trimethyl-silane; ethylene dibromide; zinc In tetrahydrofuran53%
With zinc In tetrahydrofuran Condensation; Reformatsky reaction;46%
caprinaldehyde
112-31-2

caprinaldehyde

2-hydroxyethanethiol
60-24-2

2-hydroxyethanethiol

2-nonyl-1,3-oxathiolane
69895-04-1

2-nonyl-1,3-oxathiolane

Conditions
ConditionsYield
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 0.5h;99%
polyaniline sulphate salt In dichloromethane at 20℃; for 6h;65%
With perchloric acid In dichloromethane at 0 - 5℃; for 2h;57%
n-butyl magnesium bromide
693-03-8

n-butyl magnesium bromide

caprinaldehyde
112-31-2

caprinaldehyde

3-methyl-1-tridecen-4-ol
87963-66-4

3-methyl-1-tridecen-4-ol

Conditions
ConditionsYield
Stage #1: n-butyl magnesium bromide With zirconocene dichloride In tetrahydrofuran; toluene at 0℃; for 0.5h;
Stage #2: With 2,4-dimethylpentan-3-one In tetrahydrofuran; toluene at 0℃; for 3h;
Stage #3: caprinaldehyde In tetrahydrofuran; toluene at 25℃; for 5h;
99%
caprinaldehyde
112-31-2

caprinaldehyde

3-trimethylsilyl-2-diethylphosphonopropionic acid ethyl ester
110481-61-3

3-trimethylsilyl-2-diethylphosphonopropionic acid ethyl ester

(E)-2-Trimethylsilanylmethyl-dodec-2-enoic acid ethyl ester
888020-90-4

(E)-2-Trimethylsilanylmethyl-dodec-2-enoic acid ethyl ester

Conditions
ConditionsYield
With sodium hydride In 1,2-dimethoxyethane at 0℃; Wittig-Horner reaction;99%
caprinaldehyde
112-31-2

caprinaldehyde

malononitrile
109-77-3

malononitrile

2-decylidenemalononitrile

2-decylidenemalononitrile

Conditions
ConditionsYield
With hydroquinone; p-benzoquinone In water at 20℃; for 3h; Reagent/catalyst; Solvent; Knoevenagel Condensation; Inert atmosphere; Sealed tube;99%
With Na8H[PW9O34]*7H2O In methanol at 25℃; for 6h; Knoevenagel Condensation;82%
With morpholine In ethanol at 20℃; for 0.0833333h; Knoevenagel condensation;
With 0.04O40PW12(3-)*0.73Mg(2+)*0.22Al(3+)*2HO(1-)*0.98H2O In water; isopropyl alcohol at 60℃; for 6h; Knoevenagel Condensation; chemoselective reaction;88 %Chromat.
With 1-dodecyl-3-(3-triethoxysilylpropyl)-4,5-dihydroimidazolium bromide grafted onto layered double hydroxide In water at 20℃; for 5h; Knoevenagel Condensation;87 %Chromat.
caprinaldehyde
112-31-2

caprinaldehyde

nitromethane
75-52-5

nitromethane

(R)-(-)-1-nitroundecan-2-ol
1244040-51-4

(R)-(-)-1-nitroundecan-2-ol

Conditions
ConditionsYield
With 4-methyl-N-[(1R)-2-{[(1S,2S)-2-{[(2R)-2-(4-methylbenzenesulfonamido)-2-phenylethyl]amino}-1,2-diphenylethy]amino}-1-phenylethyl]benzene-1-sulfonamido; copper(II) acetate monohydrate In ethanol at 20℃; for 48h; Henry reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;99%

112-31-2Related news

Decomposition of decanol and Decanal (cas 112-31-2) over Ni- and H-ZSM-508/24/2019

The decomposition of 1-decanol and decanal in the presence of hydrogen by using Ni- and H-ZSM-5 embedded within a silica binder was investigated. Temperatures and pressures for the decanol decomposition ranged from 572 to 666 K and 0.57 to 1.45 MPa, whereas for decanal the ranges were 622 to 722...detailed

Transcriptomic profiles of Aspergillus flavus CA42, a strain that produces small sclerotia, by Decanal (cas 112-31-2) treatment and after recovery08/22/2019

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Effects of essential oil Decanal (cas 112-31-2) on growth and transcriptome of the postharvest fungal pathogen Penicillium expansum08/21/2019

Penicillium expansum is a destructive phytopathogen provoking the blue mold decay of pome fruits and producing a polyketide-derived mycotoxin, patulin. In this study, the effects of exogenous essential oil decanal on development and patulin production of P. expansum were determined. Results indi...detailed

112-31-2Relevant articles and documents

One-pot conversion of olefins to carbonyl compounds by hydroboration/NMO-TPAP oxidation

Yates, Matthew H.

, p. 2813 - 2816 (1997)

An efficient method to oxidize an olefin to the less substituted carbonyl compound is described. This new methodology utilizes borane dimethyl sulfide followed by tetrapropylammonium perruthenate N-methylmorpholine N-oxide to oxidize the resulting alkylborane.

A useful and catalytic method for protection of carbonyl compounds into the corresponding 1,3-oxathiolanes and deprotection to the parent carbonyl compounds

Mondal, Ejabul,Sahu, Priti Rani,Khan, Abu T.

, p. 463 - 467 (2002)

A wide variety of carbonyl compounds 1 can be easily protected to the corresponding 1,3-oxathiolanes 2 in good yields in the presence of catalytic amount of perchloric acid in dry CH2Cl2 at 0-5 °C. On the other hand, various 1,3-oxathiolanes 2 can be selectively deprotected to the parent carbonyl compounds 1 in very good yields by H2MoO4·H2O-H2O2 catalyzed oxidation of ammonium bromide in the presence of perchloric acid in CH2Cl2-H2O solvent system. Mild reaction condition, high selectivity, efficient and relatively good yields are some of the major advantages of the procedure.

Shimizu,Kuwajima

, p. 2801,2802 (1979)

-

Schwager,Knifton

, p. 256,257, 258, 259, 260 (1976)

-

Well-defined alkylpalladium complexes with pyridine-carboxylate ligands as catalysts for the aerobic oxidation of alcohols

Melero, Cristobal,Shishilov, Oleg N.,Alvarez, Eleuterio,Palma, Pilar,Campora, Juan

, p. 14087 - 14100 (2012)

Neophylpalladium complexes of the type [Pd(CH2CMe 2Ph)(N-O)(L)], where N-O is picolinate or a related bidentate, monoanionic ligand (6-methylpyridine-2-carboxylate, quinoline-2-carboxylate, 2-pyridylacetate or pyridine-2-sulfonate) and L is pyridine or a pyridine derivative, efficiently catalyze the oxidation of a range of aliphatic, benzylic and allylic alcohols with oxygen, without requiring any additives. A versatile method is described which allows the synthesis of the above-mentioned complexes with a minimum synthetic effort from readily available materials. Comparison of the rates of oxidation of 1-phenylethanol with different catalysts reveals the influence of the structure of the bidentate N-O chelate and the monodentate ligand L on the catalytic performance of these complexes. The Royal Society of Chemistry 2012.

TiO2-Photocatalyzed Epoxidation of 1-Decene by H2O2 under Visible Light

Ohno, Teruhisa,Masaki, Yuji,Hirayama, Seiko,Matsumura, Michio

, p. 163 - 168 (2001)

1-Decene was converted to 1,2-epoxydecane on UV-irradiated TiO2 powder using molecular oxygen as the oxygen source. Other main products were nonanal and 2-decanone. For anatase-form TiO2 powders, the reaction rate was hardly affected by addition of hydrogen peroxide to the solution. In contrast, for rutile-form TiO2 powders, the rate of epoxide generation was significantly increased by addition of hydrogen peroxide. In this case, the reaction occurred under visible light as well as UV light. The selectivity of the production of 1,2-epoxydecane was higher under visible light than under UV light. The conversion efficiency of an incident photon to 1,2-epoxydecane was about 2 percent when irradiated with visible light in the range 440-480 nm. UV-visible diffuse reflection spectroscopy, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy suggested the generation of a Ti-η2-peroxide on rutile TiO2 surface after treatment with hydrogen peroxide. The initial step of the reaction under visible light was attributed to a photochemical reaction of this peroxide with 1-decene.

-

Lee et al.

, p. 751 (1973)

-

Dodecacarbonyl triiron, an efficient catalyst for photochemical isomerization of unsaturated alcohols, ethers and ester to their corresponding carbonyl compounds, enol ethers and esters

Iranpoor, Nasser,Mottaghinejad, Enayatolah

, p. 399 - 404 (1992)

Photochemical isomerization of unsaturated alcohols to their corresponding saturated aldehydes and ketones can be carried out efficiently by irradiaton at wavelengths > 560 nm in n-hexane at 25-30 deg C in the presence of catalytic amounts of dodecacarbonyl triiron.Unsaturated ethers and esters are likewise converted into their corresponding enol ethers and esters in moderate to high yields.Results of the reactions of benzylideneacetoneiron tricarbonyl with unsaturated compounds support the previously postulated mechanism in which the Fe(CO)3 moiety is the active species in the catalyses of the carbon-carbon double bond migration.

Catalytic Effect of a BH3:N,N-Diethylaniline Complex in the Formation of Alkenyl Catecholboranes from Alk-1-ynes and Catecholborane

Suseela, Yantrapragada,Prasad, A. S. Bhanu,Periasamy, Mariappan

, p. 446 - 447 (1990)

Alkenyl catecholboranes are readily formed by the reaction of catecholborane and alk-1-ynes at 25 deg C, in the presence of 10 molpercent of a BH3:N,N-diethylaniline complex, via a hydroboration-alkenyl transfer mechanism.

Unexpected Reactions of α,β-Unsaturated Fatty Acids Provide Insight into the Mechanisms of CYP152 Peroxygenases

Jiang, Yuanyuan,Li, Shengying,Li, Zhong,Peng, Wei,Tang, Dandan,Wang, Binju,You, Cai,Zhao, Yue

supporting information, p. 24694 - 24701 (2021/10/14)

CYP152 peroxygenases catalyze decarboxylation and hydroxylation of fatty acids using H2O2 as cofactor. To understand the molecular basis for the chemo- and regioselectivity of these unique P450 enzymes, we analyze the activities of three CYP152 peroxygenases (OleTJE, P450SPα, P450BSβ) towards cis- and trans-dodecenoic acids as substrate probes. The unexpected 6S-hydroxylation of the trans-isomer and 4R-hydroxylation of the cis-isomer by OleTJE, and molecular docking results suggest that the unprecedented selectivity is due to OleTJE’s preference of C2?C3 cis-configuration. In addition to the common epoxide products, undecanal is the unexpected major product of P450SPα and P450BSβ regardless of the cis/trans-configuration of substrates. The combined H218O2 tracing experiments, MD simulations, and QM/MM calculations unravel an unusual mechanism for Compound I-mediated aldehyde formation in which the active site water derived from H2O2 activation is involved in the generation of a four-membered ring lactone intermediate. These findings provide new insights into the unusual mechanisms of CYP152 peroxygenases.

Selective Production of Linear Aldehydes and Alcohols from Alkenes using Formic Acid as Syngas Surrogate

Chen, Junjun,Hua, Kaimin,Liu, Xiaofang,Deng, Yuchao,Wei, Baiyin,Wang, Hui,Sun, Yuhan

, p. 9919 - 9924 (2021/05/31)

Performing carbonylation without the use of carbon monoxide for high-value-added products is an attractive yet challenging topic in sustainable chemistry. Herein, effective methods for producing linear aldehydes or alcohols selectively with formic acid as both carbon monoxide and hydrogen source have been described. Linear-selective hydroformylation of alkenes proceeds smoothly with up to 88 % yield and >30 regioselectivity in the presence of single Rh catalyst. Strikingly, introducing Ru into the system, the dual Rh/Ru catalysts accomplish efficient and regioselective hydroxymethylation in one pot. The present processes utilizing formic acid as syngas surrogate operate simply under mild condition, which opens a sustainable way for production of linear aldehydes and alcohols without the need for gas cylinders and autoclaves. As formic acid can be readily produced via CO2 hydrogenation, the protocols represent indirect approaches for chemical valorization of CO2.

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