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Methyl behenate

Methyl behenate structure

CAS No:
929-77-1
Formula:
C23H46O2
Chemical Name:
Methyl behenate
Synonyms:
Docosanoic acid,methyl ester;Methyl behenate;Methyl docosanoate;Methyl n-docosanoate;Behenic acid methyl ester;Kemester 9022;Kemester 9027-90;NSC 158426
Categories:
Cosmetic Ingredient > Humectant

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Description

Wax-like solid. Insoluble in water; soluble in alcohol and ether. Combustible.

Methyl behenate is a fatty acid methyl ester.

Methyl behenate Basic Attributes

Molecular Weight：

354.61

Exact Mass：

354.61

EC Number：

213-207-8

UNII：

04KBO9R771

NSC Number：

158426

DSSTox ID：

DTXSID6029206

Color/Form：

NEEDLES FROM ACETONE

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

7.98130

Appearance：

Liquid

Density：

0.861g/cm3

Melting Point：

54 °C

Boiling Point：

224-225 °C @ Press: 15 Torr

Flash Point：

113 °C

Refractive Index：

1.448

Water Solubility：

INSOL IN WATER; SOL IN ALCOHOL, ETHER

Storage Conditions：

2-8°C

Collision Cross Section：

156.13 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|155.6 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl behenate Use and Manufacturing

Uses

Docosanoic Acid Methyl Ester is a long chain fatty acid, existing as a wax and is found in sunflower seeds. It can be used in biodiesel production.

Production

< 25,000 lb

Manufacturing Info：

Docosanoic acid, methyl ester: ACTIVE

Analytic Methods：

DETERMINATION OF DOCOSENOIC ACID. OIL OR FAT IS CONVERTED TO METHYL ESTERS, WHICH ARE DETERMINED BY GAS-LIQUID CHROMATOGRAPHY... /DOCOSENOIC ACID/

Use Classification：

Cosmetics -> Humectant; Skin conditioning

Computed Properties

Molecular Weight:354.6
XLogP3:11.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:21
Exact Mass:354.349780706
Monoisotopic Mass:354.349780706
Topological Polar Surface Area:26.3
Heavy Atom Count:25
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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