Methyl behenate (HCID 13584)

개요

Methyl behenate is a fatty acid methyl ester.

이름 및 식별자

우선 이름: Methyl behenate
IUPAC: methyl docosanoate
현지명: 메틸 도코사노에이트
영어명: Behenic acid methyl ester
분자식: C23H46O2
분자량: 354.61

이름 및 동의어

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

이름 더 보기

메틸도코사노에이트메틸도코사노에이트메틸베헤네이트베헤닉산메틸에스테르C22MethyldocosanoatDOCOSANOIC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 11.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 21
무거운 원자 수: 25
형식 전하: 0
복잡도: 263

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 54 · 54-56 °C(lit.)
끓는 점: 393 °C · 393 °C
밀도: 0.8784 · 0.8784 (rough estimate)
굴절률: 1.4339 · 1.4339 (589.3 nm 60℃)
인화점: 113 °C · 113 °C
저장 조건: room temp
용해도: 클로로포름 (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올(매우 소량, 가열)
물리적 상태: 액체
색상: 흰색에서 황백색까지
생물학적 소스: 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)
화장품 원료 기능: 보습제피부 컨디셔닝
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
EPA: Docosanoic acid, methyl ester (929-77-1)

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29159000
safety_code: 24/25
기존화학 물질: KE-12784
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 929-77-1(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Skin conditioning; Humectant

General Manufacturing InformationDocosanoic acid, methyl ester: ACTIVE

응용 분야

개요Docosanoic 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.

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