3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate

• ChemBase编号: 102844
• 分子式: C36H60O2
• 平均质量: 524.8604
• 单一同位素质量: 524.45933116
• SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
• InChI: InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3
• InChIKey: VYGQUTWHTHXGQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
• IUPAC传统名: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate; vitamin a palmitate
• 别名: 维生素 A 棕榈酸酯; Retinyl palmitate; VITAMIN A PALMITATE; VITAMIN A PALMITATE IN CORN OIL; all-trans-Retinol palmitate; Retinyl palmitate; ALL trans-RETINOL PALMITATE SYNTHETIC; Vitamin A palmitate; RETINOL PALMITATE ALL trans ISOMER IN VEGETABLE OIL

登记号

• CAS号: 79-81-2
• EC号: 201-228-5
• MDL号: MFCD00019414
• Beilstein号: 1917366
• PubChem SID: 24899361; 162090560; 24899347
• PubChem CID: 5280531

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 11.615147
• LogD (pH = 7.4): 11.615147
• Log P: 11.615147
• 摩尔折射率: 171.5148 cm^3
• 极化性: 65.98514 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: oil
• 熔点: 28-29°C
• 闪点: 194 °C; 381.2 °F

安全信息

• 保存条件: 2-8°C; 2-8°C, Desiccate, Store Under Nitrogen, Protect from light; 2-8°C, Store Under Nitrogen; 2-8°C, Store Under Nitrogen, Protect from light
• RTECS编号: VH6860000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 61-53; 63
• 安全公开号: 36/37; 53-45
• GHS危险品标识: GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H360D-H413; H361
• GHS警示性声明: P201-P308 + P313; P281
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥85% (HPLC)
• 成盐信息: Free Base
• 药效: 1,600,000-1,800,000 USP units per g
• 其他组分: 1-5% butylated hydroxytoluene as antioxidant; BHA/BHT as stabilizer
• 产品类型: Type IV
• 不包含成分: antioxidant
• Empirical Formula (Hill Notation): C36H60O2

详细说明

MP Biomedicals - 02103262

Water Dispersable: Dry 250,000 USP units/g

MP Biomedicals - 02199002

(Retinyl palmitate)
~1,700,000 units/g

MP Biomedicals - 02103263

Synthetic
In vegetable oil
1 million units/g

MP Biomedicals - 02156523

All Trans Isomer
Synthetic
Crystalline
Dispersed in acacia-starch matrix. Water dispersible.
Approx. 250,000 USP units per gram. Contains BHA and BHT to retard oxidation.

MP Biomedicals - 02156521

All Trans Isomer
Vegetable Oil Solution
Synthetic
Approx. 1,600,000 USP units per gram.

Sigma Aldrich - R1512

Biochem/physiol Actions
Review: Vitamin A metabolism.1
Retinal, retinol and retinoic acid are the aldehyde, alcohol and acid forms of vitamin A. The retinoids exist as many geometric isomers due to the unsaturated bonds in the aliphatic chain.Retinoids also exist as retinyl esters such as retinyl propionate, retinyl acetate and retinyl palmitate. Retinyl esters provide pools of vitamin A that are converted into retinol and other retinoids as needed. Retinyl palmitate is a major storage form of vitamin A. Retinyl palmitate is widely used in pharmaceutical and cosmetic applications.
包装
Sealed ampule.
Physical form
oil or solid

Sigma Aldrich - R3375

Biochem/physiol Actions
Review: Vitamin A metabolism.1
Retinal, retinol and retinoic acid are the aldehyde, alcohol and acid forms of vitamin A. The retinoids exist as many geometric isomers due to the unsaturated bonds in the aliphatic chain.Retinoids also exist as retinyl esters such as retinyl propionate, retinyl acetate and retinyl palmitate. Retinyl esters provide pools of vitamin A that are converted into retinol and other retinoids as needed. Retinyl palmitate is a major storage form of vitamin A. Retinyl palmitate is widely used in pharmaceutical and cosmetic applications.
包装
Sealed ampule.
Physical form
Oil at room temperature

Sigma Aldrich - 95150

Biochem/physiol Actions
Review: Vitamin A metabolism.1
Unit Definition
1 U corresponds to 1 international U acc. to Ph Eur II, 217 (1983)