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629-94-7

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629-94-7 Usage

Chemical Properties

white waxy solid

Uses

Heneicosane is a long chain saturated aliphatic hydrocarbon found in coal tars and fossil organic matter. Heneicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Heneicosane is usually present in the form of paraffin wax.

Definition

ChEBI: An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius.

Synthesis Reference(s)

Tetrahedron Letters, 17, p. 2643, 1976 DOI: 10.1016/S0040-4039(00)91757-X

General Description

Crystals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Saturated aliphatic hydrocarbons, such as N-HENEICOSANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water.

Check Digit Verification of cas no

The CAS Registry Mumber 629-94-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 9 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 629-94:
(5*6)+(4*2)+(3*9)+(2*9)+(1*4)=87
87 % 10 = 7
So 629-94-7 is a valid CAS Registry Number.
InChI:InChI=1/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3

629-94-7 Well-known Company Product Price

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  • Alfa Aesar

  • (A18198)  n-Heneicosane, 99%   

  • 629-94-7

  • 1g

  • 266.0CNY

  • Detail
  • Alfa Aesar

  • (A18198)  n-Heneicosane, 99%   

  • 629-94-7

  • 5g

  • 981.0CNY

  • Detail
  • Alfa Aesar

  • (A18198)  n-Heneicosane, 99%   

  • 629-94-7

  • 25g

  • 4176.0CNY

  • Detail
  • Sigma-Aldrich

  • (51523)  Heneicosane  analytical standard

  • 629-94-7

  • 51523-1G

  • 443.43CNY

  • Detail
  • Sigma-Aldrich

  • (51523)  Heneicosane  analytical standard

  • 629-94-7

  • 51523-5G

  • 1,738.62CNY

  • Detail
  • Aldrich

  • (286052)  Heneicosane  98%

  • 629-94-7

  • 286052-1G

  • 299.52CNY

  • Detail
  • Aldrich

  • (286052)  Heneicosane  98%

  • 629-94-7

  • 286052-10G

  • 1,843.92CNY

  • Detail

629-94-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name henicosane

1.2 Other means of identification

Product number -
Other names HENEICOSANE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:629-94-7 SDS

629-94-7Synthetic route

[1-decyl-1-(toluene-4-sulfonyl)-undecyl]-methylene-amine

[1-decyl-1-(toluene-4-sulfonyl)-undecyl]-methylene-amine

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With ammonia; lithium In diethyl ether; ethanol at -33 - 20℃; for 2h; Reduction;90%
C28H50N2O2S

C28H50N2O2S

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Stage #1: C28H50N2O2S With diisobutylaluminium hydride In hexane; dichloromethane at 0℃; for 0.5h;
Stage #2: With sodium hydroxide In water Further stages.;
87%
5,5-(dodecane-1,1-diyl)bis(2-pentylfuran)

5,5-(dodecane-1,1-diyl)bis(2-pentylfuran)

A

heneicosane
629-94-7

heneicosane

B

10-nonylhenicosane

10-nonylhenicosane

Conditions
ConditionsYield
With hydrogen In cyclohexane at 170℃; for 20h; Reagent/catalyst;A 7.5%
B 84%
Bisdecylmalonitril
42550-79-8

Bisdecylmalonitril

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With potassium; toluene; perhydrodibenzo-18-crown-6 Ambient temperature;72.3%
henicosan-4-one
32822-45-0

henicosan-4-one

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With amalgamated zinc in wss.-aethanol. HCl;
Multi-step reaction with 2 steps
1.1: ethanol / 24 h / 20 °C
2.1: DIBAL-H / CH2Cl2; hexane / 0.5 h / 0 °C
2.2: 87 percent / 3N NaOH / H2O
View Scheme
heneicosan-11-one
19781-72-7

heneicosan-11-one

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With hydrogenchloride; amalgamated zinc
With phosphorus pentachloride und erhitzen des Reaktionsprodukts mit Jodwasserstoffsaeure und Phosphor auf 240grad;
11-methylselanyl-heneicosane
61539-95-5

11-methylselanyl-heneicosane

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
(i) Li, EtNH2, (ii) NH4Cl; Multistep reaction;
11-bromo-heneicos-10-ene
15462-32-5

11-bromo-heneicos-10-ene

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With hydrogen; nickel In ethanol
11-phenylselanyl-heneicosane
61539-96-6

11-phenylselanyl-heneicosane

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
(i) Li, EtNH2, (ii) NH4Cl; Multistep reaction;
11,11-bis-methylselanyl-heneicosane

11,11-bis-methylselanyl-heneicosane

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
(i) Li, EtNH2, (ii) NH4Cl; Multistep reaction;
Multi-step reaction with 2 steps
1: (i) nBuLi, hexane, THF, (ii) H2O
2: (i) Li, EtNH2, (ii) NH4Cl
View Scheme
11,11-bis-phenylselanyl-heneicosane

11,11-bis-phenylselanyl-heneicosane

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
(i) Li, EtNH2, (ii) NH4Cl; Multistep reaction;
Multi-step reaction with 2 steps
1: (i) nBuLi, hexane, THF, (ii) H2O
2: (i) Li, EtNH2, (ii) NH4Cl
View Scheme
hydrogenchloride
7647-01-0

hydrogenchloride

henicosan-4-one
32822-45-0

henicosan-4-one

amalgamated. zinc

amalgamated. zinc

heneicosane
629-94-7

heneicosane

heneicosene

heneicosene

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With phosphorus; hydrogen iodide
(E)-heneicos-9-ene
98752-53-5

(E)-heneicos-9-ene

hydrogen iodide
10034-85-2

hydrogen iodide

red P

red P

heneicosane
629-94-7

heneicosane

(Z)-9-docosene-1,22-diol
310408-15-2

(Z)-9-docosene-1,22-diol

A

icosane
112-95-8

icosane

B

n-docosane
629-97-0

n-docosane

C

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With lithium aluminium tetrahydride; Pt/Al2O3 at 300℃; Product distribution; Hydrogenation; hydrogenolysis;
Diesel fuel

Diesel fuel

A

pentadecane
629-62-9

pentadecane

B

Tridecane
629-50-5

Tridecane

C

tetradecane
629-59-4

tetradecane

D

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With air at 1130℃; under 18001.4 Torr; Formation of xenobiotics; high pressure combustion; Further byproducts given. Title compound not separated from byproducts;
high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg

high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
at 500℃; for 0.0277778h; Formation of xenobiotics;
4-(1-oxooctadecyl)morpholine
5299-54-7

4-(1-oxooctadecyl)morpholine

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: CeCl3*7H2O / tetrahydrofuran / 2 h / -78 °C
1.2: 90 percent / tetrahydrofuran / 1.5 h / -78 °C
2.1: ethanol / 24 h / 20 °C
3.1: DIBAL-H / CH2Cl2; hexane / 0.5 h / 0 °C
3.2: 87 percent / 3N NaOH / H2O
View Scheme
stearic acid
57-11-4

stearic acid

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: thionyl chloride / benzene / 24 h / 50 °C
2.1: pyridine / CHCl3 / 20 h / 20 °C
3.1: CeCl3*7H2O / tetrahydrofuran / 2 h / -78 °C
3.2: 90 percent / tetrahydrofuran / 1.5 h / -78 °C
4.1: ethanol / 24 h / 20 °C
5.1: DIBAL-H / CH2Cl2; hexane / 0.5 h / 0 °C
5.2: 87 percent / 3N NaOH / H2O
View Scheme
Stearoyl chloride
112-76-5

Stearoyl chloride

CS2

CS2

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: pyridine / CHCl3 / 20 h / 20 °C
2.1: CeCl3*7H2O / tetrahydrofuran / 2 h / -78 °C
2.2: 90 percent / tetrahydrofuran / 1.5 h / -78 °C
3.1: ethanol / 24 h / 20 °C
4.1: DIBAL-H / CH2Cl2; hexane / 0.5 h / 0 °C
4.2: 87 percent / 3N NaOH / H2O
View Scheme
Iododecane
2050-77-3

Iododecane

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / NaH / dimethylsulfoxide; diethyl ether / 3 h / 20 °C
2: 90 percent / NH3; lithium / ethanol; diethyl ether / 2 h / -33 - 20 °C
View Scheme
undecylenic acid
112-37-8

undecylenic acid

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sulfuric acid
2: sodium ethylate / 115 - 120 °C / 15 - 20 Torr / und Zersetzen des 11-Oxo-heneicosan-carbonsaeure-(10)-aethylesters mit alkoh.KOH
3: amalgamated zinc; concentrated HCl
View Scheme
10-undecenoic acid
112-38-9

10-undecenoic acid

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: platinum black; glacial acetic acid / Hydrogenation
2: sulfuric acid
3: sodium ethylate / 115 - 120 °C / 15 - 20 Torr / und Zersetzen des 11-Oxo-heneicosan-carbonsaeure-(10)-aethylesters mit alkoh.KOH
4: amalgamated zinc; concentrated HCl
View Scheme
ethyl undecanoate
627-90-7

ethyl undecanoate

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium ethylate / 115 - 120 °C / 15 - 20 Torr / und Zersetzen des 11-Oxo-heneicosan-carbonsaeure-(10)-aethylesters mit alkoh.KOH
2: amalgamated zinc; concentrated HCl
View Scheme
2,2-didecyl-1,3-benzodioxole
15462-31-4

2,2-didecyl-1,3-benzodioxole

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: BBr3 / benzene / Heating
2: H2 / Raney-Ni / ethanol
View Scheme
2-heneicosanone
22589-04-4

2-heneicosanone

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With potassium hydroxide; hydrazine In diethylene glycol at 110 - 220℃; for 17 - 20h; Product distribution / selectivity;
benzopyrene
50-32-8

benzopyrene

A

phthalic anhydride
85-44-9

phthalic anhydride

B

pentadecane
629-62-9

pentadecane

C

2-(1-methylethyl)-1-pentene
16746-02-4

2-(1-methylethyl)-1-pentene

D

Hexadecane
544-76-3

Hexadecane

E

2-ethyl-3,4,4-trimethyl-pent-1-ene

2-ethyl-3,4,4-trimethyl-pent-1-ene

F

octadecane
593-45-3

octadecane

G

n-nonadecane
629-92-5

n-nonadecane

H

heneicosane
629-94-7

heneicosane

I

2,3,4,5-tetramethyl-2-hexene

2,3,4,5-tetramethyl-2-hexene

J

4,5-dimethyl-3-ethyl-1-hexene

4,5-dimethyl-3-ethyl-1-hexene

K

6,8-dimethyl-3-nonene

6,8-dimethyl-3-nonene

L

3,4-dimethyl-2-propyl-1-pentene

3,4-dimethyl-2-propyl-1-pentene

M

4-methyl-2-isopropyl-1-hexene

4-methyl-2-isopropyl-1-hexene

N

4,5-dimethyl-2-ethyl-1-hexene

4,5-dimethyl-2-ethyl-1-hexene

O

3,4-dimethyl-2-ethyl-1-hexene

3,4-dimethyl-2-ethyl-1-hexene

P

3,5-dimethyl-2-isopropyl-1-hexene

3,5-dimethyl-2-isopropyl-1-hexene

Q

9-methyl-3-decene

9-methyl-3-decene

R

butanoic vinyl anhydride
59914-18-0

butanoic vinyl anhydride

S

4-methyl-5-methanal-chrysene

4-methyl-5-methanal-chrysene

T

7-methyl-8-propanalpyrene

7-methyl-8-propanalpyrene

U

propyl benzoate
2315-68-6

propyl benzoate

V

Di(2-ethylhexyl)phthalate
117-81-7

Di(2-ethylhexyl)phthalate

W

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

X

2-isobutyl-3-methyl-pent-1-ene
52763-11-8

2-isobutyl-3-methyl-pent-1-ene

Y

diisonoyl phthalate
20548-62-3

diisonoyl phthalate

Z

3-methylchrysene
3351-31-3

3-methylchrysene

Conditions
ConditionsYield
With oxygen; ozone In water
pyrene
129-00-0

pyrene

A

phthalic anhydride
85-44-9

phthalic anhydride

B

xanth-9-one
90-47-1

xanth-9-one

C

pentadecane
629-62-9

pentadecane

D

n-docosane
629-97-0

n-docosane

E

n-hexacosane
630-01-3

n-hexacosane

F

tetradecane
629-59-4

tetradecane

G

Hexadecane
544-76-3

Hexadecane

H

Diethylene glycol monobutyl ether
112-34-5

Diethylene glycol monobutyl ether

I

n-butyl isobutyrate
97-87-0

n-butyl isobutyrate

J

heneicosane
629-94-7

heneicosane

K

n-tricosane
638-67-5

n-tricosane

L

tetracosane
646-31-1

tetracosane

M

n-pentacosane
629-99-2

n-pentacosane

N

cyclopenta[def]phenanthrene
203-63-4

cyclopenta[def]phenanthrene

O

1,2-benzenedicarboxylic acid diisooctyl ether

1,2-benzenedicarboxylic acid diisooctyl ether

P

2,6-di-tert-butyl-4-methyl-phenol
128-37-0

2,6-di-tert-butyl-4-methyl-phenol

Q

Diethyl phthalate
84-66-2

Diethyl phthalate

R

Phthalic acid dibutyl ester
84-74-2

Phthalic acid dibutyl ester

S

4H-Cyclopenta[def]phenanthrene
203-64-5

4H-Cyclopenta[def]phenanthrene

T

benzyl n-butyl phthalate
85-68-7

benzyl n-butyl phthalate

U

1,1'-Biphenyl-2,2',6,6'-tetracarboxaldehyde
4371-26-0

1,1'-Biphenyl-2,2',6,6'-tetracarboxaldehyde

V

4,5-phenanthrene-8,9-dicarbaldehyde
16162-34-8

4,5-phenanthrene-8,9-dicarbaldehyde

W

1-hexadecylcarboxylic acid
57-10-3

1-hexadecylcarboxylic acid

X

6-propyltridecane

6-propyltridecane

Conditions
ConditionsYield
With oxygen; ozone In water for 0.25 - 2h;
decane
124-18-5

decane

A

pentadecane
629-62-9

pentadecane

B

icosane
112-95-8

icosane

C

n-docosane
629-97-0

n-docosane

D

Tridecane
629-50-5

Tridecane

E

tetradecane
629-59-4

tetradecane

F

Hexadecane
544-76-3

Hexadecane

G

hepatdecane
629-78-7

hepatdecane

H

octadecane
593-45-3

octadecane

I

n-nonadecane
629-92-5

n-nonadecane

J

heneicosane
629-94-7

heneicosane

Conditions
ConditionsYield
With C22H41IrN2O2P2; Re2O7/Al2O3; 1,3,5-trimethyl-benzene at 175℃; for 168h; Inert atmosphere;

629-94-7Downstream Products

629-94-7Relevant articles and documents

Practical synthesis of pheromone components of Achaea janata (Noctuidae)

Yadav,Kache, Rajashaker,Venkatram Reddy,Chandrasekhar

, p. 4249 - 4255 (1998)

A practical synthesis of pheromone components of Achaea janata utilising double alkylations on TosMIC as key steps has been achieved.

Selective Catalytic Hydrogenolysis of Carbon-Carbon σ Bonds in Primary Aliphatic Alcohols over Supported Metals

Di, Lu,Yao, Sikai,Li, Mengru,Wu, Guangjun,Dai, Weili,Wang, Guichang,Li, Landong,Guan, Naijia

, p. 7199 - 7207 (2015/12/11)

The selective scission of chemical bonds is always of great significance in organic chemistry. The cleavage of strong carbon-carbon σ bonds in the unstrained systems remains challenging. Here, we report the selective hydrogenolysis of carbon-carbon σ bonds in primary aliphatic alcohols catalyzed by supported metals under relatively mild conditions. In the case of 1-hexadecanol hydrogenolysis over Ru/TiO2 as a model reaction system, the selective scission of carbon-carbon bonds over carbon-oxygen bonds is observed, resulting in n-pentadecane as the dominant product with a small quantity of n-hexadecane. Theoretical calculations reveal that the 1-hexadecanol hydrogenolysis on flat Ru (0001) undergoes two parallel pathways: i.e. carbon-carbon bond scission to produce n-pentadecane and carbon-oxygen bond scission to produce n-hexadecane. The removal of adsorbed CO on a flat Ru (0001) surface is a crucial step for the 1-hexadecanol hydrogenolysis. It contributes to the largest energy barrier in n-pentadecane production and also retards the rate for n-hexadecane production by covering the active Ru (0001) surface. The knowledge presented in this work has significance not just for a fundamental understanding of strong carbon-carbon σ bond scission but also for practical biomass conversion to fuels and chemical feedstocks.

Efficient heterogeneous dual catalyst systems for alkane metathesis

Huang, Zheng,Rolfe, Eleanor,Carson, Emily C.,Brookhart, Maurice,Goldman, Alan S,El-Khalafy, Sahar H.,Roy MacArthur, Amy H.

experimental part, p. 125 - 135 (2010/06/20)

A fully heterogeneous and highly efficient dual catalyst system for alkane metathesis (AM) has been developed. The system is comprised of an alumina-supported iridium pincer catalyst for alkane dehydrogenation/olefin hydrogenation and a second heterogeneous olefin metathesis catalyst. The iridium catalysts bear basic functional groups on the aromatic backbone of the pincer ligand and are strongly adsorbed on Lewis acid sites on alumina. The heterogeneous systems exhibit higher lifetimes and productivities relative to the corresponding homogeneous systems as catalyst/catalyst interactions and bimolecular decomposition reactions are inhibited. Additionally, using a two-pot device, the supported Ir catalysts and metathesis catalysts can be physically separated and run at different temperatures. This system with isolated catalysts shows very high turnover numbers and is selective for the formation of high molecular weight alkanes.

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