methyl decanoate

• ChemBase编号: 88445
• 分子式: C11H22O2
• 平均质量: 186.29118
• 单一同位素质量: 186.16197994
• SMILES: O(C(=O)CCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCC(=O)OC
• InChI: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
• InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl decanoate
• IUPAC传统名: methyl decanoate
• 别名: 甲基癸酸酯; 羊蜡酸甲酯; 癸酸甲酯; Methyl decanoate; METHYL CAPRATE; Capric acid methyl ester; Methyl caprate; Methyl decanoate; Methyl decanoate; CAPRIC ACID METHYL ESTER; Decanoic acid methyl ester

登记号

• CAS号: 110-42-9
• EC号: 203-766-6
• MDL号: MFCD00009580
• Beilstein号: 1759170
• PubChem SID: 24902024; 24858009; 24852852; 24852851; 24869952; 162075401
• PubChem CID: 8050
• 欧洲委员会编号: 2304
• Flavis Number: 9.251

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.7350647
• LogD (pH = 7.4): 3.7350647
• Log P: 3.7350647
• 摩尔折射率: 54.2467 cm^3
• 极化性: 21.753212 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -14 to -11°C; -14--11 °C(lit.); -18 - -10 °C; -18°C; -18°C
• 沸点: 108 °C/10 mmHg; 223-225°C; 224 °C at 1013 hPa; 224 °C(lit.); 224°C
• 闪点: 194 °F; 90 °C; 90°C; 94°C(201°F); ca. 90 °C (closed cup)
• 密度: .87 g/cm^3 at 20 °C; 0.87 g/ml; 0.871; 0.871 g/mL at 20 °C(lit.); 0.877
• 折射率: 1.4250; n20/D 1.425(lit.); n20/D 1.426
• 蒸汽压: < 1.333 hPa at 22.2 °C
• 感官: oily; wine-like; fruity

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Irritant
• RTECS编号: HD9830000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 38
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H413; H315-H413
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥99%; ~99%; ≥97.0% (GC); ≥99%; ≥99.5% (GC); 95+%; 99%
• 级别: analytical standard; analytical standard, for environmental analysis; NI; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3(CH2)8COOCH3

详细说明

MP Biomedicals - 05208821

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100390

Purity: 99+%
1 ml = approx. 0.86 g

Sigma Aldrich - 299030

包装
2.5, 100 g in glass bottle

Sigma Aldrich - W505501

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