기본 정보
- CAS
31478-84-9- 표준 SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C- InChIKey
NEOZOXKVMDBOSG-UHFFFAOYSA-N- 분자식
- C21H42O2
- 평균 분자량
- 326.6 g/mol
- 단동위원소 질량
- 326.31848058
개요
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
이름 및 식별자
- 우선 이름
- Isopropyl Isostearate
- IUPAC
- propan-2-yl 16-methylheptadecanoate
- 현지명
- 아이소프로필아이소스테아레이트
- 영어명
- isopropyl 16-methylheptadecanoate
- 분자식
- C21H42O2
- 분자량
- 326.56
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
31478-84-9、68171-33-5- PubChem CID
- 94625
- DTXSID
DTXSID101015768- UNII
- C67IXB9Y7T
- EC Number
- 250-651-1、269-023-3
- Nikkaji
- J24.705G
물성
구조 계산 물성
- XLogP
- 9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 259
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Isopropyl Isostearate) -> CIR (Cosmetic Ingredient Review)
Binding; Emollient; Skin conditioning
물리화학적 성질
- 끓는 점
- 360.7 · 360.7±10.0 °C(Predicted)
- 밀도
- 0.86 · 0.860±0.06 g/cm3(Predicted)
- 냄새
- 100 · 100.00?%. 온화한
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제피부 컨디셔닝결합제
- LogP
- 9.135 · 9.135 (est)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (105 of 105) of all reports.
Not Classified
Aggregated GHS information provided per 105 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Heptadecanoic acid, 16-methyl-, 1-methylethyl ester
Chemical: Isooctadecanoic acid, 1-methylethyl ester
Status: Active Update: 24-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5787
Heptadecanoic acid, 16-methyl-, 1-methylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Isooctadecanoic acid, 1-methylethyl ester: 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.
Other Safety Information
IMAP assessments - Isooctadecanoic acid, 1-methylethyl ester: Human health tier I assessment
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories
Not Classified
Not Classified
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
화학 및 산업
용도 및 제조
공급사55 곳
관련 반응
화합물 노트
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