methyl dodecanoate

• ChemBase编号: 78184
• 分子式: C13H26O2
• 平均质量: 214.34434
• 单一同位素质量: 214.19328007
• SMILES: O(C(=O)CCCCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
• InChIKey: UQDUPQYQJKYHQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl dodecanoate
• IUPAC传统名: methyl laurate
• 别名: 十二烷酸甲酯; 十二酸甲酯; 月桂酸甲酯; 月桂酸甲酯; 十二酸甲酯; Lauric acid methyl ester; Methyl laurate; Methyl dodecanoate; Methyl dodecanoate; LAURIC ACID METHYL ESTER; METHYL DODECANOATE; Methyl laurate; Methyl dodecanoate 99%; Dodecanoic acid methyl ester

登记号

• CAS号: 111-82-0
• EC号: 203-911-3
• MDL号: MFCD00008966
• Beilstein号: 1767780
• PubChem SID: 24854049; 24901280; 24874824; 162042997
• PubChem CID: 8139
• FEMA编号: 2715
• 欧洲委员会编号: 377
• Flavis Number: 9.101

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.6242023
• LogD (pH = 7.4): 4.6242023
• Log P: 4.6242023
• 摩尔折射率: 63.4487 cm^3
• 极化性: 25.439863 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 3-6 °C; 4.5-5 °C; 4-5 °C(lit.); 4-5°C; 4-5°C; 5 °C; 5°C
• 沸点: 250°C; 261-262 °C(lit.); 261-262°C; 261-262°C; 262 °C/766 mmHg(lit.); ca. 250 °C
• 闪点: >113 °C; >235.4 °F; 125°C; 125°C(257°F); ca. 115.6 °C (closed cup)
• 密度: .8695 g/cm^3 at 20 °C; 0.869 g/mL at 20 °C(lit.); 0.8695 g/ml; 0.8695g/ml; 0.87; 0.87 g/mL at 25 °C(lit.); 0.870
• 折射率: 1.4325; n20/D 1.431; n20/D 1.431(lit.); n20/D 1.432
• 蒸汽压: < 1.333 hPa at 22.2 °C
• 感官: coconut; creamy; waxy; soapy

安全信息

• 保存条件: 0°C
• 保存注意事项: Irritant
• RTECS编号: OF0670000
• 德国WGK号: 1
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥99%; ≥97.0% (GC); ≥98%; ≥99.5% (GC); 95+%; 99%; 99.5%; 99.8%
• 级别: analytical standard; analytical standard, for environmental analysis; certified reference material; NI; purum; TECHNICAL; TraceCERT®
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3(CH2)10CO2CH3; CH3(CH2)10COOCH3

详细说明

MP Biomedicals - 02102328

Purity: 99+%
1 gm = approx. 0.87 g

MP Biomedicals - 05207487

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05205459

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105263

Technical Grade

Sigma Aldrich - 234591

包装
2.5, 5, 25 g in glass bottle

Sigma Aldrich - W271500

包装
1 kg in poly bottle
玻璃瓶包装
1 sample in glass bottle
4, 9 kg in poly drum

Sigma Aldrich - 07041

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST SRM.Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC