CAS No.112-31-2,Decanal Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112-31-2
Name:	Decanal
Article Data:	255

Formula:	C₁₀H₂₀O
Molecular Weight:	156.268
Synonyms:	Decanaldehyde;Decyl aldehyde;Decylic aldehyde;NSC 6087;n-Decaldehyde;n-Decanal;n-Decylaldehyde;Capraldehyde;Capric aldehyde;Caprinaldehyde;Caprinic aldehyde;Decaldehyde;
EINECS:	203-957-4
Density:	0.818 g/cm³
Melting Point:	7 °C
Boiling Point:	209 °C at 760 mmHg
Flash Point:	85.6 °C
Solubility:	insoluble in water
Appearance:	colourless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN 3082
PSA:	17.07000
LogP:	3.32600

Synthetic route

: 112-30-1
1-Decanol

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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%

: 42196-81-6
2-nonyl-1,3-dithiane

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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%

: 7779-41-1
1,1-dimethoxy decane

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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

: 34764-02-8
decanal diethyl acetal

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
With water; pyridinium p-toluenesulfonate In acetone for 2h;	100%

: 764-93-2
1-decyne

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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%

: 112-30-1
1-Decanol

A: 112-31-2
caprinaldehyde

B: 1654-86-0
decyl decanoate

Conditions

Conditions	Yield
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethane	A 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

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;	98%

: 334-48-5
1-decanoic acid

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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%

: 1797-17-7
1,1-decanediol diacetate

: 112-31-2
caprinaldehyde

Conditions

Conditions	Yield
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;

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Specification

This chemical has the systematic name Decanal. With the CAS registry number 112-31-2, its classification codes are Mutation data; Natural Product; Skin / Eye Irritant. It's an organic compound with the chemical formula C₉H₁₉CHO. It belongs to the product category Pharmaceutical Intermediates. However, it should be sealed in the cool and dry place, away from the oxides.

Other characteristics of the Decanal can be summarised as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 761.52; (6)ACD/BCF (pH 7.4): 761.52; (7)ACD/KOC (pH 5.5): 4020.77; (8)ACD/KOC (pH 7.4): 4020.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 48.56 cm³; (15)Molar Volume: 190.9 cm³; (16)Polarizability: 19.25×10^-24cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.818 g/cm³; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 44.53 kJ/mol; (21)Boiling Point: 209 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C.

Production method of the Decanal: It could be prepared by oxidation of the related alcohol decanol.

Uses of the Decanal: It is used in fragrances and flavoring and it is an important component in citrus along with octanal, citral, and sinensal. Decanal is also an important component of buckwheat odour.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=CCCCCCCCCC
2.InChI: InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
3.InChIKey: KSMVZQYAVGTKIV-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 41750mg/kg (41750mg/kg)	BEHAVIORAL: EXCITEMENT GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit	LD50	skin	5040uL/kg (5.04mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	3730uL/kg (3.73mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.