レチノール酢酸エステル
Retinol, acetate
基本情報
- CAS
127-47-9- 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
- 現地名
- レチノール酢酸エステル
- 英語名
- Retinyl acetate
- 分子式
- C22H32O2
- 分子量
- 328.49
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
ビタミンAアセタート酢酸(2E,4E,6E,8E)-9-(2,6,6-トリメチル-1-シクロヘキセニル)-3,7-ジメチル-2,4,6,8-ノナテトラエニルミバックス酢酸レチニル(7E,9E,11E,13E)-レチノールアセタートアロビットビタミンA1アセタートレチニルアセタート酢酸(2E,4E,6E,8E)-3,7-ジメチル-9-(2,6,6-トリメチルシクロヘキセン-1-イル)-2,4,6,8-ノナテトラエニルミバックレチノールアセタートビタミンA酢酸標準品酢酸ALL-TRANS-レチニルレチノールアセテート標準品酢酸レチノールビタミン A 1500 アセテート,油性（2E，4E，6E，8E）-3，7-ジメチル-9-（2，6，6-トリメチルシクロヘキサ-1-エン-1-イル）ノナ-2，4，6，8-テトラエン-1-イル＝アセタート酢酸ALL‐TRANS‐レチニル酢酸レチニル (VITAMIN A)ビタミンA酢酸塩(RETINOL AレチノールアセタートretinylVITAMIN A ACETATALL-TRANS-RETINYL ACETATERetinylacetatRETINOL ACETATE ALL TRANSMyvakMyvax
(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 Ų
- 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
物理化学的性質
- 融点
- 57 · 57-58 °C
- 沸点
- 406.22 °C · 406.22°C (rough estimate)
- 比重(密度)
- 1.0474 · 1.0474 (rough estimate)
- 屈折率
- 1.547 · 1.547-1.555
- 闪点
- 14 ℃ · 14℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 25 mg/mL · 無水エタノール: 25 mg/mL
- 外見
- 固体または粘性液体
- 色
- 黄色い粉
- 臭い (Odor)
- アミン様
- 由来生物
- synthetic (organic)
- 水溶解度
- 溶ける
- Merck
- 14 · 14,10013
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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).
安全データ
- F
- 1-8-10
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- VH6825000
- ridadr
- UN1170 - class 3 - PG 2 - Ethanol
- 毒性
- LD50 (10 day) orally in mice: 4100 mg/kg (Kamm)
- hs_code
- 29362100
- risk_code
- 38-63-36/37/38-53-61-11
化学と産業
薬理情報
MeSH Pharmacological Classification
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.
用途と製造
Household ProductsInformation on 4 consumer products that contain Retinyl acetate in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationRetinol, acetate: ACTIVE
応用分野
説明Retinyl acetate (retinol acetate, vitamin A acetate,127-47-9) is a natural form of vitamin A. It is the acetate ester of retinol. It consists of yellow crystals which are greasy or sticky. It has a mild, characteristic odor. It has potential antineoplastic and chemo-preventive activities. It can be used to fortify food with vitamin A. As vitamin A acetate can induce cell differentiation and inhibit cell proliferation, it is used in skin-conditioning agent.
使用Retinyl acetate has been used: a control diet to study its effect at different developmental periods in fish larvae to study its inhibitory effects on Mycobacterium aviumsubspeciesparatuberculosis(MAP) strains as an internal standard in high performance liquid chromatography (HPLC) to quantify vitamin A in fortified milk
関連反応
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化合物ノート
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