Retinol, acetate

HCID 638034CAS 127-47-9

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Grundinformationen

Standard-SMILES: CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N
Summenformel: C22H32O2
Durchschnittliche Molmasse: 328,5 g/mol
Monoisotopische Masse: 328,24023026

Überblick

Retinyl acetate is an acetate ester. It is functionally related to an all-trans-retinol.

Namen und Bezeichner

Bevorzugter Name: Retinol, acetate
IUPAC: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

Namen und Synonyme

RETINYL ACETATEVitamin A acetateRetinol acetate127-47-9Retinol, acetateVitamin A1 acetateall-trans-Retinol acetateCrystaletsVitamin A alcohol acetateDavitan A 650all-trans-Vitamin A acetateRetinol, acetate, all-trans-

Weitere Namen anzeigen

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetateall-trans-RetinylacetateAcetic acid, retinyl ester[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetateDTXSID60212403LE3D9D6OYVitamin A, acetateVitamin A acetate (tritiated)

Datenbank-Bezeichner

CAS: 127-47-9、64536-04-5
PubChem CID: 638034
DTXSID: DTXSID6021240
ChEMBL: CHEMBL486193
ChEBI: CHEBI:32095
UNII: 3LE3D9D6OY
EC Number: 204-844-2
Nikkaji: J34.628D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 7
Schwere Atome: 24
Formalladung: 0
Komplexität: 595

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> Retinoids [PR0109]

CosmeticsSkin conditioning

SpringerMaterials PropertiesChemical diffusion

Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.3% (1 of 374) of reports.

Danger

H315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P273, P280, P302+P352, P318, P321, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 374 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Retinol, acetate

Regulation (EC) No 1831/2003 (amended)

REACH registered substance: Retinyl acetate (EC: 204-844-2)

Retinol acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (83.4%)

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.