Retinol, acetate

HCID 638034CAS 127-47-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N
分子式: C22H32O2
平均分子量: 328.5 g/mol
単同位体質量: 328.24023026

概要

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

名称と識別子

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

名称と別名

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-

名称をさらに表示

(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)

データベース識別子

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

物性

構造計算による物性

XLogP: 6.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 7
重原子数: 24
形式電荷: 0
複雑度: 595

実験および物理化学的性質

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

CosmeticsSkin conditioning

SpringerMaterials PropertiesChemical diffusion

Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

毒性情報

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

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.