cyclohexyl 2-methylprop-2-enoate

• ChemBase编号: 131606
• 分子式: C10H16O2
• 平均质量: 168.23284
• 单一同位素质量: 168.11502975
• SMILES: CC(=C)C(=O)OC1CCCCC1
• Canonical SMILES: O=C(C(=C)C)OC1CCCCC1
• InChI: InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
• InChIKey: OIWOHHBRDFKZNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclohexyl 2-methylprop-2-enoate
• IUPAC传统名: cyclohexyl 2-methylprop-2-enoate
• 别名: 甲基丙烯酸环己酯; 环己基甲基丙烯酸酯; 甲基丙烯酸环己酯; Cyclohexyl methacrylate; Methacrylic acid cyclohexyl ester

登记号

• CAS号: 101-43-9
• EC号: 202-943-5; 205-769-8
• MDL号: MFCD00014292
• Beilstein号: 2045235
• PubChem SID: 162225884; 24865610
• PubChem CID: 7561

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.1069958
• LogD (pH = 7.4): 3.1069958
• Log P: 3.1069958
• 摩尔折射率: 47.4318 cm^3
• 极化性: 18.940886 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 68-70 °C/4 mmHg(lit.); 72-73°C/5mm
• 闪点: 181.4 °F; 82°C(179°F); 83 °C
• 密度: 0.964 g/mL at 20 °C; 0.964 g/mL at 25 °C(lit.); 0.970
• 折射率: 1.4577; n20/D 1.458; n20/D 1.458(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22-36-43; 36/37/38
• 安全公开号: 24/25-26-37/39-46; 26-28; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H317-H319; H315-H319-H335; H315-H319-H335-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338; P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97%; ≥97.0% (GC); 97%, stab. with ca 50ppm 4-methoxyphenol
• 级别: purum
• 其他组分: ~0.006% hydroquinone monomethyl ether as stabilizer; ~60 ppm monomethyl ether hydroquinone as inhibitor; 0.006% hydroquinone monomethyl ether as inhibitor
• 线性分子式: CH2=C(CH3)COOC6H11

详细说明

Sigma Aldrich - 408964

包装
100, 250 mL in glass bottle