ethyl decanoate

• ChemBase编号: 103093
• 分子式: C12H24O2
• 平均质量: 200.31776
• 单一同位素质量: 200.17763001
• SMILES: CCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
• InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl decanoate
• IUPAC传统名: ethyl decanoate
• 别名: 正癸酸乙酯; 羊蜡酸乙酯; 癸酸乙酯; ETHYL CAPRATE; Ethyl caprinate; Ethyl decylate; Capric acid ethyl ester; Decanoic acid ethyl ester; Ethyl decanoate; Ethyl caprate; Ethyl decanoate; CAPRIC ACID ETHYL ESTER; Ethyl decanoate

登记号

• CAS号: 110-38-3
• EC号: 203-761-9
• MDL号: MFCD00009581
• Beilstein号: 1762128
• 默克索引号: 143776
• PubChem SID: 24852827; 24848927; 24901074; 24901075; 162091215
• PubChem CID: 8048
• Chemspider ID: 7757
• FEMA编号: 2432
• 维基百科标题: Ethyl_decanoate
• 欧洲委员会编号: 309c; 309
• Flavis Number: 9.059

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.0918727
• LogD (pH = 7.4): 4.0918727
• Log P: 4.0918727
• 摩尔折射率: 58.9953 cm^3
• 极化性: 23.596272 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -20°C; -26°C
• 沸点: 224 °C(lit.); 245 °C(lit.); 245°C; 250-252°C
• 闪点: 102 °C; 102°C(216°F); 215.6 °F
• 密度: 0.862; 0.862 g/cm^3; 0.862 g/ml; 0.862 g/mL at 25 °C; 0.864 g/mL at 20 °C(lit.); 0.865 g/mL at 25 °C
• 折射率: 1.4250; n20/D 1.425; n20/D 1.425(lit.)
• 蒸汽密度: 6.9 (vs air)
• 感官: grape; oily; pear; grape; oily; wine-like

安全信息

• 保存条件: 2-8°C
• RTECS编号: HD9420000
• 德国WGK号: 2
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥98%; ≥99%; ≥99.0% (GC); 95+%; 99%
• 级别: FG; Halal; Kosher; natural; NI; puriss.; ReagentPlus®
• 线性分子式: CH3(CH2)8COOC2H5

详细说明

MP Biomedicals - 05208771

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W243213

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4, 9 kg in poly drum

Sigma Aldrich - 148970

包装
100, 500 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - W243205

包装
1 kg in glass bottle
1 sample in glass bottle
4, 9, 20 kg in poly drum