Product Name

  • Name

    Docosanoic acid

  • EINECS 204-010-8
  • CAS No. 112-85-6
  • Article Data58
  • CAS DataBase
  • Density 0.881 g/cm3
  • Solubility Soluble in DMF (~3 mg/ml), hot methanol, water (0.15 mg/ml at 25°C), chloroform, and ethanol (2.18 mg/ml at 25°C).
  • Melting Point 72-80 °C(lit.)
  • Formula C22H44O2
  • Boiling Point 391.8 °C at 760 mmHg
  • Molecular Weight 340.59
  • Flash Point 176.3 °C
  • Transport Information
  • Appearance white to cream crystals or powder
  • Safety 26-36/37/39-24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 112-85-6 (Docosanoic acid)
  • Hazard Symbols 36/37/38:;
  • Synonyms Glycon B 70;Hydrofol Acid 560;NAA 222S;NAA 22S;NSC 32364;Prifac 2987;n-Docosanoic acid;Edenor C 22-85R;Edenor C22-85RGS;Hydrofol 2022-55;EXL 5;1-Docosanoicacid;B 95;B 95 (acid);Behenic acid;
  • PSA 37.30000
  • LogP 7.89290

Synthetic route

linoleic acid
60-33-3

linoleic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With hydrogen In methanol at 20℃; for 4h;97.5%
cis-13-docosenoic acid
112-86-7

cis-13-docosenoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran at 20 - 30℃; under 4500.45 - 6000.6 Torr;90.3%
bei der Reduktion an platinierten Platinkathoden.Electrolysis;
With selenium at 300℃;
6-docosenoic acid
116802-23-4

6-docosenoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 6h;86%
(Z)-docos-11-enoic acid
1002-96-6

(Z)-docos-11-enoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With ethanol; platinum Hydrogenation;
Brassidic acid
506-33-2

Brassidic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With hydrogen; nickel Hydrogenation;
n-triacontane
638-68-6

n-triacontane

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With air at 95℃;
5-oxo-docosanoic acid
115097-02-4

5-oxo-docosanoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With methanol; sodium; hydrazine; diethylene glycol at 195℃;
6-oxo-docosanoic acid

6-oxo-docosanoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With potassium hydroxide; hydrazine hydrate; diethylene glycol
4-oxodocosanoic acid
115097-01-3

4-oxodocosanoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With sodium hydroxide; hydrazine hydrate; diethylene glycol at 220℃;
(4E,8E,12E,15E,19E)-Docosa-4,8,12,15,19-pentaenoic acid
2548-85-8

(4E,8E,12E,15E,19E)-Docosa-4,8,12,15,19-pentaenoic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
Hydrogenation;
adipic acid monomethyl ester
627-91-8

adipic acid monomethyl ester

stearic acid
57-11-4

stearic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With methanol; sodium Electrolysis.und Behandlung des Reaktionsprodukts mit methanol.Natronlauge;
behenic acid methyl ester
929-77-1

behenic acid methyl ester

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With potassium hydroxide
1-octyl docosanoate
5979-98-6

1-octyl docosanoate

A

octanol
111-87-5

octanol

B

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With potassium hydroxide In methanol for 3h; Heating;A 5 mg
B 10 mg
docosanoic acid nicotinamide complex

docosanoic acid nicotinamide complex

A

n-docosanoic acid
112-85-6

n-docosanoic acid

B

nicotinamide
98-92-0

nicotinamide

Conditions
ConditionsYield
With pH 1.2 In water at 37℃; Product distribution; var. pH and temperatures;
17-hydroxy-13,14-dihydrokolavenol behenate

17-hydroxy-13,14-dihydrokolavenol behenate

A

n-docosanoic acid
112-85-6

n-docosanoic acid

B

17-hydroxy-13,14-dihydrokolavenol

17-hydroxy-13,14-dihydrokolavenol

Conditions
ConditionsYield
With potassium hydroxide In 1,4-dioxane; methanol at 70℃; for 3h; Yield given;
μ-bromo-behenic acid

μ-bromo-behenic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With water; zinc at 130℃;
ν-bromo-behenic acid

ν-bromo-behenic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With water; zinc at 130℃;
5-oxo-heneicosane-carboxylic acid-(1)

5-oxo-heneicosane-carboxylic acid-(1)

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With sodium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol zuletzt bei 200grad nach teilweisem Abdestillieren des Loesungsmittels;
9-oxo-heneicosane-carboxylic acid-(1)

9-oxo-heneicosane-carboxylic acid-(1)

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With hydrogenchloride; amalgamated zinc
behenic acid nitrile

behenic acid nitrile

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With sodium hydroxide
ethanol
64-17-5

ethanol

cis-13-docosenoic acid
112-86-7

cis-13-docosenoic acid

colloidal palladium

colloidal palladium

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
Hydrogenation;
iodobehenic acid

iodobehenic acid

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With hydrogenchloride; ethanol; zinc Verseifung etwa entstandenen Esters mit Kalilauge;
cis-13-docosenoic acid
112-86-7

cis-13-docosenoic acid

hydrogen

hydrogen

nickel pumice stone

nickel pumice stone

n-docosanoic acid
112-85-6

n-docosanoic acid

cis-13-docosenoic acid
112-86-7

cis-13-docosenoic acid

hydrogen

hydrogen

palladium

palladium

n-docosanoic acid
112-85-6

n-docosanoic acid

paraffin

paraffin

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
With oxygen at 150℃;
With Nitrogen dioxide at 120 - 130℃;
docosanoic acid anhydride
55726-23-3

docosanoic acid anhydride

Fuller's earth

Fuller's earth

petroleum ether

petroleum ether

n-docosanoic acid
112-85-6

n-docosanoic acid

cis-13-docosenoic acid
112-86-7

cis-13-docosenoic acid

hydrogen iodide
10034-85-2

hydrogen iodide

phosphorus

phosphorus

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
at 200 - 210℃;
Brassidic acid
506-33-2

Brassidic acid

hydrogen iodide
10034-85-2

hydrogen iodide

phosphorus

phosphorus

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
at 210℃;
ethanol
64-17-5

ethanol

(Z)-docos-11-enoic acid
1002-96-6

(Z)-docos-11-enoic acid

platinum black

platinum black

n-docosanoic acid
112-85-6

n-docosanoic acid

Conditions
ConditionsYield
Hydrogenation;
n-docosanoic acid
112-85-6

n-docosanoic acid

toluene
108-88-3

toluene

1-p-Tolyl-docosan-1-one
101493-90-7

1-p-Tolyl-docosan-1-one

Conditions
ConditionsYield
Ce3+ exchanged Y-fanjasite at 150℃; for 48h;100%
1-docosanol
661-19-8

1-docosanol

n-docosanoic acid
112-85-6

n-docosanoic acid

docosyl docosanoate
17671-27-1

docosyl docosanoate

Conditions
ConditionsYield
at 250℃; for 15h; Inert atmosphere;99.6%
With C28H60O3PS(1+)*CF3O3S(1-) at 80℃; for 6h; Sealed tube;
n-docosanoic acid
112-85-6

n-docosanoic acid

Docosanylamide
3061-75-4

Docosanylamide

Conditions
ConditionsYield
Stage #1: n-docosanoic acid With oxalyl dichloride In toluene for 2h; Inert atmosphere; Reflux;
Stage #2: With ammonium hydroxide In water
99%
With ammonia; zircornium(IV) n-propoxide at 165℃; for 7h; Reagent/catalyst;98.7%
With phosphorus pentachloride at 160℃; man versetzt nach Entfernung des POCl3 mit konz.Ammoniak;
Multi-step reaction with 2 steps
1: SOCl2 / Heating
2: ammonia gas / CHCl3
View Scheme
Multi-step reaction with 2 steps
1: oxalyl dichloride / dichloromethane / Inert atmosphere
2: ammonium hydroxide
View Scheme
n-docosanoic acid
112-85-6

n-docosanoic acid

silver nitrate

silver nitrate

silver docosanoate
2489-05-6

silver docosanoate

Conditions
ConditionsYield
In ammonium hydroxide; ethanol hot (50°C) soln. docosanoic acid in EtOH was added slowly to hot soln. AgNO3 in aq. NH4OH at 50°C in the dark; ppt. was washed with water, extracted with EtOH and dried in vacuo for 12 h;99%
In water dipping Langmuir-Blodgett film of behenic acid on CaF2 substrate into soln. of AgNO3, 15 min; washing with H2O, drying in air;
n-docosanoic acid
112-85-6

n-docosanoic acid

Methyl 2,5-dihydroxybenzoate
2150-46-1

Methyl 2,5-dihydroxybenzoate

methyl 5-(docosanoyloxy)-2-hydroxybenzoate

methyl 5-(docosanoyloxy)-2-hydroxybenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 1h;99%
n-docosanoic acid
112-85-6

n-docosanoic acid

n-docosanal
57402-36-5

n-docosanal

Conditions
ConditionsYield
With methylphenylsilane; 2,2-dimethylpropanoic anhydride; Tri(p-tolyl)phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene at 60℃; for 20h; Schlenk technique; Inert atmosphere;98%
Multi-step reaction with 2 steps
1: thionyl chloride / diethyl ether / 20 °C
2: bis(dibenzylideneacetone)-palladium(0); tris(2,4,6-trimethylphenyl)phosphine; triethylsilane / toluene / 1.5 h / 40 °C / Schlenk technique; Inert atmosphere
View Scheme
1-octadecanol
112-92-5

1-octadecanol

n-docosanoic acid
112-85-6

n-docosanoic acid

stearyl behenate
24271-12-3

stearyl behenate

Conditions
ConditionsYield
With triphenylphosphine-sulfur trioxide adduct In neat (no solvent) at 110℃; for 2h; Green chemistry;97%
at 250℃; for 15h; Inert atmosphere;92.8%
n-docosanoic acid
112-85-6

n-docosanoic acid

H2N-Arg(Pbf)-Gly-Asp(OtBu)-OtBu
1314357-54-4

H2N-Arg(Pbf)-Gly-Asp(OtBu)-OtBu

C55H96N6O10S
1431949-35-7

C55H96N6O10S

Conditions
ConditionsYield
Stage #1: n-docosanoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 0.166667h;
Stage #2: H2N-Arg(Pbf)-Gly-Asp(OtBu)-OtBu In dichloromethane at 0 - 20℃; for 96h;
96%
n-docosanoic acid
112-85-6

n-docosanoic acid

(2S)-2-amino-N-dodecyl-5-[(N-nitrocarbamimidoyl)amino]pentanamide hydrochloride

(2S)-2-amino-N-dodecyl-5-[(N-nitrocarbamimidoyl)amino]pentanamide hydrochloride

N-[(1S)-1-(dodecylcarbamoyl)-4-[(N-nitrocarbamimidoyl)amino]butyl]docosanamide

N-[(1S)-1-(dodecylcarbamoyl)-4-[(N-nitrocarbamimidoyl)amino]butyl]docosanamide

Conditions
ConditionsYield
Stage #1: n-docosanoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h;
Stage #2: (2S)-2-amino-N-dodecyl-5-[(N-nitrocarbamimidoyl)amino]pentanamide hydrochloride With triethylamine In tetrahydrofuran at 20℃;
96%
1-Tetradecanol
112-72-1

1-Tetradecanol

n-docosanoic acid
112-85-6

n-docosanoic acid

myristyl behenate
42233-09-0

myristyl behenate

Conditions
ConditionsYield
With triphenylphosphine-sulfur trioxide adduct In neat (no solvent) at 110℃; for 2h; Green chemistry;96%
n-docosanoic acid
112-85-6

n-docosanoic acid

docosanoic acid anhydride
55726-23-3

docosanoic acid anhydride

Conditions
ConditionsYield
With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In dichloromethane at 0 - 20℃; for 24h;95%
With acetic anhydride
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 4h; Acylation;
Multi-step reaction with 2 steps
1: 51 percent / N-methylmorpholine / tetrahydrofuran / 1.) 0 to 5 deg C, 24 h 2.) r.t., 14 h
2: CHCl3
View Scheme
1,3-dioxan-5-yl 4-methylbenzene-1-sulfonate
32061-16-8

1,3-dioxan-5-yl 4-methylbenzene-1-sulfonate

n-docosanoic acid
112-85-6

n-docosanoic acid

docosanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester

docosanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; trifluoroacetic anhydride In tetrahydrofuran at 20℃; for 2h; acylolysis;95%
1-Hexadecanol
36653-82-4

1-Hexadecanol

n-docosanoic acid
112-85-6

n-docosanoic acid

palmityl behenate
42233-11-4

palmityl behenate

Conditions
ConditionsYield
With choline chloride; zinc(II) chloride at 110℃; for 12h;95%
n-docosanoic acid
112-85-6

n-docosanoic acid

methyl 2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-3-O-benzyl-α-D-arabinofuranoside
1236193-41-1

methyl 2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-3-O-benzyl-α-D-arabinofuranoside

methyl 5-O-behenoyl-2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-5-O-behenoyl-3-O-benzyl-α-D-arabinofuranoside
1236193-48-8

methyl 5-O-behenoyl-2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-5-O-behenoyl-3-O-benzyl-α-D-arabinofuranoside

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 4h; Inert atmosphere;95%
n-docosanoic acid
112-85-6

n-docosanoic acid

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

behenic acid methyl ester
929-77-1

behenic acid methyl ester

Conditions
ConditionsYield
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry;95%
With diiron nonacarbonyl at 180℃; for 1h; Sealed tube;
n-docosanoic acid
112-85-6

n-docosanoic acid

1-O-palmitoyl-2-O-oleoyl glycerol
3123-73-7

1-O-palmitoyl-2-O-oleoyl glycerol

Docosanoic acid 3-hexadecanoyloxy-2-((Z)-octadec-9-enoyloxy)-propyl ester

Docosanoic acid 3-hexadecanoyloxy-2-((Z)-octadec-9-enoyloxy)-propyl ester

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; Esterification;94%
n-docosanoic acid
112-85-6

n-docosanoic acid

decanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester
314266-01-8

decanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester

docosanoic acid 3-decanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester
314266-04-1

docosanoic acid 3-decanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; Esterification;94%
n-docosanoic acid
112-85-6

n-docosanoic acid

hexadecanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester
124866-91-7

hexadecanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester

docosanoic acid 3-hexadecanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester
314266-05-2

docosanoic acid 3-hexadecanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; Esterification;94%
n-docosanoic acid
112-85-6

n-docosanoic acid

docosanoyl azide
58257-64-0

docosanoyl azide

Conditions
ConditionsYield
With sodium azide; N-ethyl-N,N-diisopropylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane; dimethyl sulfoxide at 0 - 20℃; for 0.5h;94%
Stage #1: n-docosanoic acid With 4-methyl-morpholine; chloroformic acid ethyl ester In tetrahydrofuran at -20℃; for 0.5h;
Stage #2: With sodium azide In tetrahydrofuran; water at -5℃; for 0.25h; Inert atmosphere;
n-docosanoic acid
112-85-6

n-docosanoic acid

docosanoyl chloride
21132-76-3

docosanoyl chloride

Conditions
ConditionsYield
With phosgene at 95℃; for 48h;93.2%
With thionyl chloride
With thionyl chloride at 85℃;
n-docosanoic acid
112-85-6

n-docosanoic acid

1-amino-3-(dimethylamino)propane
109-55-7

1-amino-3-(dimethylamino)propane

N-(3-(dimethylamino)propyl)docosanamide
60270-33-9

N-(3-(dimethylamino)propyl)docosanamide

Conditions
ConditionsYield
With aluminum oxide; sodium fluoride at 165℃; for 11h; Inert atmosphere;92.41%
at 150 - 180℃; for 10.5h;
Amidation;
n-docosanoic acid
112-85-6

n-docosanoic acid

(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)octadecane
321734-99-0

(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)octadecane

(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)-2-N-docosanoyl-octadecane
321735-01-7

(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)-2-N-docosanoyl-octadecane

Conditions
ConditionsYield
Stage #1: (2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation;
Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation;
92%
(L)-2-hydroxy-1-hexadecyloxycarbonylethylammonium chloride

(L)-2-hydroxy-1-hexadecyloxycarbonylethylammonium chloride

n-docosanoic acid
112-85-6

n-docosanoic acid

N-docosanoyl-(L)-serine hexadecyl ester

N-docosanoyl-(L)-serine hexadecyl ester

Conditions
ConditionsYield
Stage #1: (L)-2-hydroxy-1-hexadecyloxycarbonylethylammonium chloride With dmap In chloroform
Stage #2: n-docosanoic acid With dicyclohexyl-carbodiimide In chloroform at 20℃; for 20h;
92%
chlorosulfuric acid chloromethyl ester
49715-04-0

chlorosulfuric acid chloromethyl ester

n-docosanoic acid
112-85-6

n-docosanoic acid

docosanoic acid chloromethyl ester

docosanoic acid chloromethyl ester

Conditions
ConditionsYield
Stage #1: n-docosanoic acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃;
Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0℃; for 18h;
92%
n-docosanoic acid
112-85-6

n-docosanoic acid

aniline
62-53-3

aniline

docosananilide
82052-48-0

docosananilide

Conditions
ConditionsYield
With chloroformic acid ethyl ester; triethylamine In dichloromethane for 0.5h; Ambient temperature;90%
n-docosanoic acid
112-85-6

n-docosanoic acid

(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)octadecane
321734-98-9

(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)octadecane

(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)-2-N-docosanoyl-octadecane
321735-00-6

(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)-2-N-docosanoyl-octadecane

Conditions
ConditionsYield
Stage #1: (2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation;
Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation;
90%
n-docosanoic acid
112-85-6

n-docosanoic acid

(2S,3R,4R)-2-amino-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)octadecane
321734-88-7

(2S,3R,4R)-2-amino-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)octadecane

(2S,3R,4R)-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)-2-N-docosanoyl-octadecane
321734-90-1

(2S,3R,4R)-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)-2-N-docosanoyl-octadecane

Conditions
ConditionsYield
Stage #1: (2S,3R,4R)-2-amino-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation;
Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation;
90%
2,6-Diaminopyridine
141-86-6

2,6-Diaminopyridine

n-docosanoic acid
112-85-6

n-docosanoic acid

N-(6-aminopyridin-2-yl)docosanamide

N-(6-aminopyridin-2-yl)docosanamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 22h;90%

Docosanoic acid Chemical Properties

Molecule structure of Behenic acid (CAS NO.112-85-6):

IUPAC Name: Docosanoic acid 
Molecular Weight: 340.58356 g/mol
Molecular Formula: C22H44O2 
Density: 0.881 g/cm
Melting Point: 72-80 °C(lit.)
Boiling Point: 391.8 °C at 760 mmHg
Flash Point: 176.3 °C
Index of Refraction: 1.458
Molar Refractivity: 105.53 cm3
Molar Volume: 386.3 cm3
Polarizability: 41.83×10-24 cm3
Surface Tension: 33.4 dyne/cm 
Enthalpy of Vaporization: 67.66 kJ/mol 
Vapour Pressure: 7.66E-07 mmHg at 25 °C 
Water Solubility: 0.016 mg/L
Storage Temp.: 2-8 °C
XLogP3: 9.6
H-Bond Donor:1
H-Bond Acceptor: 2
Rotatable Bond Count: 20
Exact Mass: 340.334131
MonoIsotopic Mass: 340.334131
Topological Polar Surface Area: 37.3
Heavy Atom Count: 24
Complexity: 250
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
EINECS: 204-010-8
Product Categories: Saturated Higher Fatty Acids;Alkylcarboxylic Acids;Biochemistry;Color Former & Related Compounds;Functional Materials;Higher Fatty Acids & Higher Alcohols;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Sensitizer

Docosanoic acid Uses

 Behenic acid (CAS NO.112-85-6) is used in organic synthesis.

Docosanoic acid Safety Profile

Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes.
Hazardous Substances Data 112-85-6(Hazardous Substances Data)
As a dietary oil, behenic acid is poorly absorbed. In spite of its low bioavailability compared with OLEIC ACID, behenic acid is a Cholesterol-raising fatty acid in humans.

Docosanoic acid Specification

 Behenic acid (CAS NO.112-85-6) is also named as 1-Docosanoic acid ; AI3-52709 ; Docosanoic acid ; Docosoic acid ; Glycon B-70 ; HSDB 5578 ; Hydrofol 2022-55 ; Hydrofol Acid 560 ; NSC 32364 ; UNII-H390488X0A ; n-Docosanoic acid . Behenic acid (CAS NO.112-85-6) is white to cream crystals or powder. It is stable and combustible. It is incompatible with bases, oxidizing agents, reducing agents.

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