기본 정보
- 표준 SMILES
CCCCCCCC(=O)OCC(O)CO- InChIKey
GHBFNMLVSPCDGN-UHFFFAOYSA-N- 분자식
- C11H22O4
- 평균 분자량
- 218.29 g/mol
- 단동위원소 질량
- 218.15180918
개요
1-monooctanoylglycerol is a 1-monoglyceride that has octanoyl as the acyl group. It is a 1-monoglyceride and an octanoate ester.
이름 및 식별자
- 우선 이름
- Glyceryl 1-monooctanoate
- IUPAC
- 2,3-dihydroxypropyl octanoate
- 현지명
- 글리세릴카프릴레이트
- 영어명
- MONOCAPRYLIN
- 분자식
- C11H22O4
- 분자량
- 218.29
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
26402-26-6、502-54-5- PubChem CID
- 3033877
- DTXSID
DTXSID6048383- ChEMBL
CHEMBL1570482- ChEBI
CHEBI:85241- UNII
- MCF579Z59B
- EC Number
- 247-668-1、610-514-2
- Nikkaji
- J118.316H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 159
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Glyceryl Caprylate) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Emollient
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 39 to · 39.0 to 43.0 °C
- 끓는 점
- 296 ℃[at · 296℃[at 101 325 Pa]
- 밀도
- 1.024 · 1.024[at 20℃]
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 저장 조건
- 20 °C · −20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (458.11 mM)
- 물리적 상태
- powder to lump
- 색상
- White to Orange to Green
- 수용성
- 330 g/L · 330g/L at 20℃
- Merck
- 14 · 14,6252
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제탈취제계면활성제 - 유화제
- LogP
- 1.71 at · 1.71 at 25℃
- EPA
- Glyceryl monooctanoate (26402-26-6)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 95.8% (113 of 118) of all reports.
Not Classified
Aggregated GHS information provided per 118 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Octanoic acid, monoester with 1,2,3-propanetriol
Octanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanoic acid, monoester with 1,2,3-propanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Octanoic acid, monoester with glycerol (EC: 247-668-1)
Octanoic acid, monoester with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard
Octanoic acid, 2,3-dihydroxypropyl 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.
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29159000
- 기존화학 물질
- KE-26647
화학 및 산업
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Emulsifying; Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Octanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
응용 분야
용도유화제이면서 강력한 항균성을 뛰고 있어 방부대체 원료로 사용 산화 안전성이 높음 넓은 pH범위의 항미생물 작용
용도Monocaprylin is used in preparation of Citric Acid mixed grease plasticizer.Also, It is an active agent for skin and hair care with pysicochemistry modifying properties.
상·하류 제품 정보
상류 원료
공급사45 곳
관련 반응
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