Retinol, acetate

HCID 638034CAS 127-47-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N
분자식: C22H32O2
평균 분자량: 328.5 g/mol
단동위원소 질량: 328.24023026

개요

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

이름 및 식별자

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

이름 및 동의어

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-

이름 더 보기

(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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 6.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 7
무거운 원자 수: 24
형식 전하: 0
복잡도: 595

실험 및 물리화학적 성질

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

CosmeticsSkin conditioning

SpringerMaterials PropertiesChemical diffusion

Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

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

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.