methyl octadec-9-enoate

• ChemBase编号: 102612
• 分子式: C19H36O2
• 平均质量: 296.48794
• 单一同位素质量: 296.27153039
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC
• InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3
• InChIKey: QYDYPVFESGNLHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl octadec-9-enoate; methyl (9E)-octadec-9-enoate
• IUPAC传统名: methyl 9-octadecenoate; methyl elaidate
• 别名: 油酸甲酯; 顺-9-十八碳烯酸甲酯; 油酸甲酯; 反-9-十八碳烯酸甲酯; 反油酸甲酯; 反式油酸甲酯; 反式油酸甲酯; 反式-9-十八烯酸甲酯; 反-9-十八碳烯酸甲酯; Methyl oleate; Methyl cis-9-octadecenoate; OLEIC ACID METHYL ESTER TECHNICAL GRADE; Emerest 2301; (Z)-9-Octadecenoic Acid Methyl Ester; OLEIC ACID METHYL ESTER; METHYL ELAIDATE; Oleic acid methyl ester; Methyl oleate; Elaidic acid methyl ester; Methyl trans-9-octadecenoate; Methyl elaidate; ELAIDIC ACID METHYL ESTER; Methyl elaidate; trans-9-Octadecenoic methyl ester; trans-9-Octadecenoic acid methyl ester; methyl octadec-9-enoate

登记号

• CAS号: 2462-84-2; 1937-62-8; 112-62-9
• EC号: 203-992-5; 205-563-8; 219-559-9; 217-712-4
• MDL号: MFCD00009578; MFCD00066521
• Beilstein号: 1727038; 1727037
• PubChem SID: 162090222; 24868609; 24856258; 24886797; 24894579; 24858840
• PubChem CID: 5280590

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.9296927
• LogD (pH = 7.4): 6.9296927
• Log P: 6.9296927
• 摩尔折射率: 92.1713 cm^3
• 极化性: 36.271923 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 9-10 °C; 9-10°C
• 沸点: 168-170°C; 218 °C/20 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F; 24.8 °F; -4 °C
• 密度: 0.871; 0.871 g/mL at 20 °C(lit.); 0.874 g/mL at 20 °C(lit.); 0.879 g/ml
• 折射率: n20/D 1.450; n20/D 1.452; n20/D 1.452(lit.)
• 蒸汽压: 10 mmHg ( 205 °C); 6.29 x 10-6 at 25 °C
• 疏水性(logP): 8.162

安全信息

• 保存条件: 0°C; 0°C, Store Under Nitrogen, Protect from light
• RTECS编号: RK0895000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1206
• 德国WGK号: 1; 2; 3
• 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: 11-38-50/53-65-67
• 安全公开号: 9-16-29-33-60-61-62
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H304-H315-H336-H410
• GHS警示性声明: P210-P261-P273-P301 + P310-P331-P501
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1206 3/PG 2
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99%; ≥98.0% (GC); ≥99% (capillary GC); ≥99.0% (GC); 70%; 95%; 99%
• 浓度: 10 mg/mL in heptane
• 级别: analytical standard; purum; TECHNICAL; technical grade
• 包装: ampule of 1 mL
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: natural
• 线性分子式: CH3(CH2)7CH=CH(CH2)7CO2CH3; CH3(CH2)7CH=CH(CH2)7COOCH3

详细说明

MP Biomedicals - 02102337

Technical Grade

MP Biomedicals - 02102504

Purity: 99+%

MP Biomedicals - 02157915

Purity: 99%

MP Biomedicals - 05203375

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E4762

包装
Sealed ampule.

Sigma Aldrich - 268038

包装
1 L in glass bottle

Sigma Aldrich - 311111

包装
5, 25 g in glass bottle