ethyl octadec-9-enoate

• ChemBase编号: 103434
• 分子式: C20H38O2
• 平均质量: 310.51452
• 单一同位素质量: 310.28718046
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC
• InChI: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3
• InChIKey: LVGKNOAMLMIIKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl octadec-9-enoate; ethyl (9E)-octadec-9-enoate
• IUPAC传统名: ethyl 9-octadecenoate, (Z)-; (Z)-ethyl 9-octadecenoate; ethyl oleate
• 别名: 油酸乙酯; 十八烯酸乙酯; 油酸乙酯; Ethylis oleas; Ethyl oleate; ETHYL OLEATE TECHNICAL GRADE; Oleic acid ethyl ester; Ethyl oleate; Ethyl oleate; OLEIC ACID ETHYL ESTER; ELAIDIC ACID ETHYL ESTER; Elaidic acid ethyl ester

登记号

• CAS号: 111-62-6; 6114-18-7
• EC号: 203-889-5; 228-082-5
• MDL号: MFCD00065147; MFCD00009579
• Beilstein号: 1727318
• PubChem SID: 24886790; 24886791; 24856257; 24859095; 162091308; 24894672
• PubChem CID: 5364430; 5363269
• Chemspider ID: 4515636
• KEGG ID: D04090
• 美国药典/FDA物质标识码: Z2Z439864Y
• 维基百科标题: Ethyl_oleate

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.2865005
• LogD (pH = 7.4): 7.2865005
• Log P: 7.2865005
• 摩尔折射率: 96.9199 cm^3
• 极化性: 38.117664 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Insoluble in water
• 外观: Colorless to light yellow liquid; liquid
• 熔点: -32 °C(lit.); -32°C
• 沸点: 205-208 °C/760 mmHg; 205-208°C; 210°C; 216-218 °C/15 mmHg
• 闪点: >113 °C; >235.4 °F
• 密度: 0.86 g/ml; 0.87 g/cm3; 0.87 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.451; n20/D 1.451(lit.)

安全信息

• 保存条件: 0°C, Protect from light
• RTECS编号: RG3715000
• 德国WGK号: 2; 3
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: -20°C

产品相关信息

• 纯度: ~60% (GC); 70%; 98%; 99%
• 级别: Ph Eur; TECHNICAL; technical; technical grade
• 线性分子式: CH3(CH2)7CH=CH(CH2)7COOC2H5

详细说明

MP Biomedicals - 05212171

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151782

Purity: 99%
1 ml = approx. 0.86 g

Sigma Aldrich - E8377

包装
Sealed ampule.

Sigma Aldrich - 268011

包装
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 317675

包装
1 kg in glass bottle
250 g in glass bottle