Cholest-5-en-3-β-ylstearat

Cholesteryl stearate

HCID 118246CAS 35602-69-8
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Grundinformationen

Standard-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
Summenformel
C45H80O2
Durchschnittliche Molmasse
653,1 g/mol
Monoisotopische Masse
652,6158318

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
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
Lokaler Name
Cholest-5-en-3-β-ylstearat
Englischer Name
Cholesteryl stearate
Summenformel
C45H80O2
Molmasse
653.12

Namen und Synonyme

Cholesteryl stearateCholesterol stearate35602-69-8Cholesteryl octadecanoateCholestryl stearate18:0 Cholesteryl esterCE(18:0)cholest-5-en-3beta-yl octadecanoateCholest-5-en-3-ol-, octadecanoateI1Q82N9DYQNIKKOL CSDTXSID101018693
Weitere Namen anzeigen
C18:0 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
17,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
23
Schwere Atome
47

Experimentelle und physikochemische Eigenschaften

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

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]

Physikochemische Eigenschaften

Schmelzpunkt
79 · 79-83 °C (lit.)
Siedepunkt
619.01 °C · 619.01°C (rough estimate)
Dichte
0.9226 · 0.9226 (rough estimate)
Brechungsindex
-23 ° · -23 ° (C=2, CHCl3)
storage temp.
20 °C · −20°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

wgk
3
hs_code
29157090
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationCosmetics -> Emulsifying; Emollient

Anwendungen

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

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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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