바틸알코올

Batyl Alcohol

HCID 3681CAS 544-62-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCCCCCCCCCCCCOCC(O)CO
InChIKey
OGBUMNBNEWYMNJ-UHFFFAOYSA-N
분자식
C21H44O3
평균 분자량
344.6 g/mol
단동위원소 질량
344.32904527

개요

Batilol is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.

이름 및 식별자

우선 이름
Batyl Alcohol
IUPAC
3-octadecoxypropane-1,2-diol
현지명
바틸알코올
영어명
Batyl alcohol
분자식
C21H44O3
분자량
344.57

이름 및 동의어

BATYL ALCOHOL544-62-7Batilol3-octadecoxypropane-1,2-diol1-O-OctadecylglycerolStearyl monoglyceride1,2-Propanediol, 3-(octadecyloxy)-BatilolumGlycerol monooctadecyl etherGlycerine 1-monostearyl etherMonooctadecyl ether of glycerolGlycerol octadecyl ether
이름 더 보기
바틸알코올1-O-OCTADECYL-RAC-GLYCEROL3-OCTADECYLOXY-1,2-PROPANEDIOLICCB 70985Alkoxy glycerolDL-BATYL ALCOHOLC.1.Batylalcohol3-(Octadecyloxy)
NSC-284200CHEBI:3411739YR661C4URefChem:561112glyceryl 1-octadecyl ether3-octadecyloxy-propane-1,2-diol208-874-73-(octadecyloxy)propane-1,2-diol

데이터베이스 식별자

CAS
544-62-7
PubChem CID
3681
DTXSID
DTXSID0047799
ChEMBL
CHEMBL1482516
ChEBI
CHEBI:34117
UNII
39YR661C4U
EC Number
208-874-7
Nikkaji
J6.419J

물성

구조 계산 물성

XLogP
7.6
극성 표면적
49.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
20
무거운 원자 수
24

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
Cosmetics · 2건

Cosmetic ingredients (Batyl Alcohol) -> CIR (Cosmetic Ingredient Review)

Emollient

Physical DescriptionGlistening solid; [Merck Index] White powder; [MSDSonline]
Collision Cross Section202.8 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
71 · 71-73 °C (lit.)
끓는 점
419.64 °C · 419.64°C (rough estimate)
밀도
0.9975 · 0.9975 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.5192 · 1.5192 (estimate)
저장 조건
Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 3-(Octadecyloxy) 1,2 propanediol

Status: Active Update: 18-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27822

1,2-Propanediol, 3-(octadecyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAquatic Acute 1 (66.7%)

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
TZ0960000
HS 번호
29094990
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 2건

CIR ingredient: Batyl Alcohol

Recommended for bracken fern poisoning in cattle; [Merck Index]

Use ClassificationCosmetics -> Emollient
General Manufacturing Information1,2-Propanediol, 3-(octadecyloxy)-: INACTIVE

상·하류 제품 정보

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京精维化工有限公司13270709979 · [email protected]

추가 설명

정의ChEBI: An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted to the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.

관련 반응

4건
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