기본 정보
- 표준 SMILES
CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C- InChIKey
XFKBBSZEQRFVSL-UHFFFAOYSA-N- 분자식
- C16H30O4
- 평균 분자량
- 286.41 g/mol
- 단동위원소 질량
- 286.21440943
이름 및 식별자
- 우선 이름
- Diisopropyl Sebacate
- IUPAC
- dipropan-2-yl decanedioate
- 현지명
- 디아이소프로필 세바케이트
- 영어명
- Diisopropyl sebacate
- 분자식
- C16H30O4
- 분자량
- 286.41
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7491-02-3- PubChem CID
- 24096
- DTXSID
DTXSID3064720- UNII
- J8T3X564IH
- EC Number
- 231-306-4
- Nikkaji
- J26.295A
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 244
물리화학적 성질
- 끓는 점
- 308.2 · 308.2±10.0 °C(Predicted)
- 밀도
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- 증기압
- 0.005 Pa · 0.005Pa at 20℃
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(아주 약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 투명 무색
- Specific Gravity
- 0.94 · 0.94
- 수용성
- 2 mg/L · 2mg/L at 20℃
- 화장품 원료 기능
- 용제피부 컨디셔닝피부 컨디셔닝 - 보습제가소제
- LogP
- 4.627 · 4.627 (est)
- EPA
- Decanedioic acid, bis(1-methylethyl) ester (7491-02-3)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (97 of 97) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 97 of 97 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 97 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 97 of 97 reports by companies.;There are 0 notifications provided by 0 of 97 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Decanedioic acid, bis(1-methylethyl) ester
Status: Active Update: 06-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10094
Decanedioic acid, bis(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
규제 정보
Regulatory Information
Chemical: Decanedioic acid, bis(1-methylethyl) ester
Status: Active Update: 06-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10094
Decanedioic acid, bis(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-09406
화학 및 산업
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Emollient
응용 분야
용도diisopropyl sebacate can be used in cosmetic formulations for its emollient properties. It is also used as a solvent, particularly for fragrances.
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