(2H5)ethan-1-ol

• ChemBase编号: 149553
• 分子式: C2H6O
• 平均质量: 46.06844
• 单一同位素质量: 46.04186481
• SMILES: CCO
• Canonical SMILES: CCO
• InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
• InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₅)ethan-1-ol
• IUPAC传统名: (^2H₅)ethanol
• 别名: 氘代乙醇-d5; 乙醇-1,1,2,2,2-d5; Ethyl-d5 alcohol; Ethanol-1,1,2,2,2-d5; Ethyl Alcohol-d5; Alcohol-d5; Alcohol-d5 Anhydrous; Algrain-d5; Anhydrol-d5; Bioethanol-d5; Black Warrant-d5; CDA 19-d5; Denatured Alcohol-d5; Denatured Ethanol-d5; Desinfektol EL-d5; Esumiru WK 88-d5; Ethicap-d5; Ethyl Hydrate-d5; Ethyl Hydroxide-d5; Germ-X-d5; Hinetoless-d5; IMS 99-d5; Infinity Pure-d5; Jaysol-d5; Jaysol S-d5; Lux-d5; Methylcarbinol-d5; Molasses Alcohol-d5; NSC 85228-d5; Neocol CQ-d5; Potato Alcohol-d5; SDA 3A-d5; SY Fresh M-d5; Sekundasprit-d5; Sterillium Rub-d5; Synasol-d5; Tecsol-d5; Vinic Alcohol-d5; Ethanol-d5

登记号

• CAS号: 1859-08-1
• MDL号: MFCD00144264
• PubChem SID: 24872474; 162243718
• PubChem CID: 12201693

理论计算性质

• Acid pKa: 16.470615
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• 摩尔折射率: 13.0099 cm^3
• 极化性: 5.037121 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 78 °C(lit.)
• 闪点: 48.2 °F; 9 °C
• 密度: 0.871 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.358(lit.)
• 质量偏移: M+5

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1170
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11
• 安全公开号: 7-16
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H225
• GHS警示性声明: P210
• RID/ADR: UN 1170 3/PG 2

产品相关信息

• 同位素纯度: 99.5 atom % D
• Mol. Weight: mol wt 51.11
• 线性分子式: CD3CD2OH

详细说明

Sigma Aldrich - 489336

包装
5 g in ampule

Toronto Research Chemicals - E890122

Most ethyl alcohol is used in alcoholic beverages in suitable dilutions. Other uses are as solvent in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.

参考文献

• Wiberg, G.S., et al.: Toxicol. Appl. Pharmacol., 16, 718 (1970)
• Brown, N.A., et al.: Science, 206, 573 (1970)