CAS 929-77-1 Methyl behenate (HCID 13584)

概要

Methyl behenate is a fatty acid methyl ester.

名称と識別子

優先名称: Methyl behenate
IUPAC: methyl docosanoate
現地名: ベヘン酸メチル
英語名: Behenic acid methyl ester
分子式: C23H46O2
分子量: 354.61

名称と別名

Methyl behenateMethyl docosanoate929-77-1Docosanoic acid, methyl esterBehenic acid methyl esterBEHENIC ACID, METHYL ESTERHSDB 272404KBO9R771EINECS 213-207-8NSC 158426AI3-36456DOCOSANOIC ACID,METHYL ESTER

名称をさらに表示

ベヘン酸メチルベヘン酸メチルドコサン酸メチルドコサン酸メチルエステルメチル＝ドコサノアートドコサン酸メチル標準品ドコサン酸メチルエステルベヘン酸メチルエステルドコサン酸メチル, 10.0 mg/mL in Hexaneドコサン酸メチルエステル標準品ベヘン酸メチル標準品C22MethyldocosanoatDOCOSANOIC ACID METHYL ESTERKemester 9022Methyl beheteC22:0 METHYL ESTERBehenic acid methyl

NSC-158426DTXSID6029206BEHENIC ACID METHYL ESTER [MI]BEHENIC ACID, METHYL ESTER [HSDB]RefChem:817636METHYL BEHENATE [INCI]DTXCID709206213-207-8

データベース識別子

CAS: 929-77-1
PubChem CID: 13584
DTXSID: DTXSID6029206
ChEBI: CHEBI:143586
UNII: 04KBO9R771
EC Number: 213-207-8
Nikkaji: J45.236J

物性

構造計算による物性

XLogP: 11.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 21
重原子数: 25
形式電荷: 0
複雑度: 263

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other

CosmeticsSkin conditioning; Humectant

LogP10.2

Color/FormNEEDLES FROM ACETONE

SolubilityINSOL IN WATER; SOL IN ALCOHOL, ETHER

Boiling Point224-225 °C @ 15 MM HG

物理化学的性質

融点: 54 · 54-56 °C(lit.)
沸点: 393 °C · 393 °C
比重(密度): 0.8784 · 0.8784 (rough estimate)
屈折率: 1.4339 · 1.4339 (589.3 nm 60℃)
闪点: 113 °C · 113 °C
貯蔵温度: room temp
溶解性: クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量、加熱）
外見: 液体
色: ホワイトからオフホワイト
由来生物: synthetic (organic)
Merck: 14 · 14,1023
BRN: 1795147 · 1795147
Henry's Law Constant: 5.9 · 5.9×10-4 mol/(m3Pa) at 25℃, Krop and Velzen (1997)
化粧品成分の機能: 保湿剤スキンコンディショニング
InChI: 1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC
LogP: 10.2 · 10.200
CAS データベース: 929 · 929-77-1(CAS DataBase Reference)
EPAの化学物質情報: Docosanoic acid, methyl ester (929-77-1)

化学的性質

化学的特性Wax-like solid. Insoluble in water; soluble in alcohol and ether. Combustible.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (6 of 9) of all reports.

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Docosanoic acid, methyl ester

Docosanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29159000
化審法: (2)-798
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 929-77-1(Hazardous Substances Data)

化学と産業

用途と製造

Use ClassificationCosmetics -> Skin conditioning; Humectant

General Manufacturing InformationDocosanoic acid, methyl ester: ACTIVE

応用分野

説明Docosanoic acid methyl ester is an ester form of docosanoic acid . It has been found in soybean, corn, sunflower, and canola oils, as well as beef fat, used in the production of biodiesel.

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