Grundinformationen
- CAS
1182-66-7- Standard-SMILES
CCCCCCCCC(=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
WCLNGBQPTVENHV-MKQVXYPISA-N- Summenformel
- C36H62O2
- Durchschnittliche Molmasse
- 526,9 g/mol
- Monoisotopische Masse
- 526,47498122
Namen und Bezeichner
- Bevorzugter Name
- Cholesteryl Nonanoate
- 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] nonanoate
- Lokaler Name
- Cholest-5-en-3-β-ylnonanoat
- Englischer Name
- Cholesteryl pelargonate
- Summenformel
- C36H62O2
- Molmasse
- 526.88
Namen und Synonyme
CHOLESTERYL NONANOATECholesteryl pelargonate1182-66-74313O7P4XWDTXSID70889364RefChem:125718DTXCID301028626214-658-3Cholesterol pelargonateGOnateCholesteryl pelarMFCD00003643
Weitere Namen anzeigen
nonanoateCHOLESTEROL NONANOATECholesteryl nonaonateCholesterol PelargoteCholesteryl pelagonatecholest-5-ene-3-beta-yl
Cholesteryl nonylateCholesterol, nonanoateC36H62O2UNII-4313O7P4XWCholest-5-en-3-ol (3beta)-, nonanoateCholest-5-ene-3-beta-yl nonanoateEINECS 214-658-3YOFCO LC-CN
Datenbank-Bezeichner
- CAS
1182-66-7- PubChem CID
- 2723614
- DTXSID
DTXSID70889364- UNII
- 4313O7P4XW
- EC Number
- 214-658-3
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 12,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 38
- Formalladung
- 0
- Komplexität
- 797
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Cholesteryl Nonanoate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesChemical diffusion
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-77 °C (lit.)
- Siedepunkt
- 360 °C · 360 °C
- Dichte
- 0.9587 · 0.9587 (rough estimate)
- Brechungsindex
- -24 ° · -24 ° (C=1, THF)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid crystal
- Wasserlöslichkeit
- Soluble in Chloroform, Tetrahydrofuran(THF). Insoluble in water.
- BRN
- 3179820 · 3179820
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cholest-5-en-3-ol, nonanoate, (3.beta.)-
Cholest-5-en-3-ol (3.beta.)-, nonanoate: 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.
Hazard Classes and CategoriesAquatic Chronic 4 (50%)
Toxikologische Informationen
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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: Cholesteryl Nonanoate
Household ProductsInformation on 20 consumer products that contain Cholesteryl nonanoate in the following categories is provided:
Use ClassificationCosmetics -> Emollient
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-nonanoate: ACTIVE
Anwendungen
VerwendenCholesteryl nonanoate is used in hair colors, cosmetic products like lip products, lotions. It is also used in the manufature of some pleochroic dyes. It can be also used as a component of the liquid crystals used for liquid crystal displays.
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