콜레스테릴 스테아르산염

Cholesteryl stearate

HCID 118246CAS 35602-69-8
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기본 정보

표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
InChIKey
XHRPOTDGOASDJS-XNTGVSEISA-N
분자식
C45H80O2
평균 분자량
653.1 g/mol
단동위원소 질량
652.6158318

개요

Cholesteryl stearate is a cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has a role as a mouse metabolite. It is functionally related to an octadecanoic acid.

이름 및 식별자

우선 이름
Cholesteryl stearate
IUPAC
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
현지명
콜레스테릴 스테아르산염
영어명
Cholesteryl stearate
분자식
C45H80O2
분자량
653.12

이름 및 동의어

Cholesteryl stearateCholesterol stearate35602-69-8Cholesteryl octadecanoateCholestryl stearate18:0 Cholesteryl esterCE(18:0)cholest-5-en-3beta-yl octadecanoateCholest-5-en-3-ol-, octadecanoateI1Q82N9DYQNIKKOL CSDTXSID101018693
이름 더 보기
콜레스테릴스테아르산염콜레스테릴스테아르산염(CHOLESTERYLSTEARATE)콜레스테릴스테아레이트C18:0 CECholesteryl stearic acidStearic acid cholesterylCholesteryl stearate,98%Cholesterol Stearate >CHOLESTERYL OCTADECANOATECHOLESTERYL STEARATE 96%
NSC-59693[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoateCHEBI:82750((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) octadecanoateRefChem:125727DTXCID601476737252-637-0Cholesterol, stearate

데이터베이스 식별자

CAS
35602-69-8
PubChem CID
118246
DTXSID
DTXSID101018693
ChEBI
CHEBI:82750
UNII
I1Q82N9DYQ
EC Number
252-637-0
Nikkaji
J47.922E

물성

구조 계산 물성

XLogP
17.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
23
무거운 원자 수
47

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]
CosmeticsEmulsifying; Emollient
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2건

291.9 Ų [M+NH4]+ [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]

283.13 Ų [M+NH4]+ [CCS Type: TIMS; Method: single field calibrated]

물리화학적 성질

녹는점
79 · 79-83 °C (lit.)
끓는 점
619.01 °C · 619.01°C (rough estimate)
밀도
0.9226 · 0.9226 (rough estimate)
굴절률
-23 ° · -23 ° (C=2, CHCl3)
저장 조건
20 °C · −20°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Cholest-5-en-3-ol, octadecanoate, (3.beta.)-

Cholest-5-en-3-ol (3.beta.)-, octadecanoate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
HS 번호
29157090
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Emulsifying; Emollient

응용 분야

용도Cholesteryl stearate, is used as an emollient, emulsion stabilizer. It is also used as a chemical widely in lipid research.

일반 설명Cholesteryl stearate is a stearic acid ester of cholesterol. In solid-state, its autoxidation is higher than its free form.

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]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid.

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