글리세릴카프릴레이트

Glyceryl 1-monooctanoate

HCID 3033877CAS 26402-26-6

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

502-54-5Monoctanoin1-MonocaprylinGlyceryl 1-Monooctanoatealpha-Monocaprylin1-MonooctanoinDL-1-MonooctanoinGlyceryl 1-caprylateOctanoic Acid 1-Monoglyceride1-Monocapryloyl-rac-glycerolOctanoic acid, 2,3-dihydroxypropyl esterGLYCEROL 1-OCTANOATE
이름 더 보기
글리세릴카프릴레이트octyl and decyl glycerateGlycerylcaprylateGLYCEROL MONOCAPRYLATE1-MONOOCTANOYL GLYCEROLOCTANOINPoem M-100Sefsol 318monooctanoinDrewmulse CA
Glyceryl-1-caprylateMCF579Z59BRefChem:922333VFU0OU98LO610-514-2Monocaprylin2,3-dihydroxypropyl octanoate26402-26-6

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

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Glyceryl Caprylate) -> CIR (Cosmetic Ingredient Review)

Emulsifying; Emollient

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Physical DescriptionLiquid

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)

안전 및 규제

GHS 분류

GHS Classification · 3건

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 · 5건

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.

Other Safety InformationIMAP assessments - Octanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
EPA Safer ChemicalChemical: Octanoic acid, monoester with 1,2,3-propanetriol
Hazard Classes and CategoriesNot Classified

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
HS 번호
29159000
기존화학 물질
KE-26647

화학 및 산업

용도 및 제조

UsesCIR ingredient: Glyceryl Caprylate
U.S. Production2023: 32,428 lb
Consumer UsesEmulsifier
Industry UsesEmulsifier
Household ProductsInformation on 12 consumer products that contain Glyceryl Caprylate in the following categories is provided:
Use Classification · 3건

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

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

공급사45 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

관련 반응

2건

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