1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate

• ChemBase编号: 147635
• 分子式: C22H32O10
• 平均质量: 456.48348
• 单一同位素质量: 456.19954722
• SMILES: CC(=C)C(=O)OCC(CO)OC(=O)C(=C)C.CC(=C)C(=O)OCC(COC(=O)C(=C)C)O
• Canonical SMILES: OC(COC(=O)C(=C)C)COC(=O)C(=C)C.OCC(OC(=O)C(=C)C)COC(=O)C(=C)C
• InChI: InChI=1S/2C11H16O5/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4/h2*9,12H,1,3,5-6H2,2,4H3
• InChIKey: YDASFTNANXDGLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate
• IUPAC传统名: 1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate
• 别名: 二甲基丙烯酸甘油酯，异构体混合物; Glycerol dimethacrylate, mixture of isomers

登记号

• EC号: 217-388-4
• PubChem SID: 162241822; 24867309
• PubChem CID: 71311291

理论计算性质

• Acid pKa: 14.577148
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.8135904
• LogD (pH = 7.4): 1.8135904
• Log P: 1.8135904
• 摩尔折射率: 56.8287 cm^3
• 极化性: 22.71977 Å^3
• 极化表面积: 72.83 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 120 °C/1 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F
• 密度: 1.12 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.472(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-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
• 保存温度: 2-8°C

产品相关信息

• 纯度: 85%
• 级别: technical grade
• 其他组分: 200 ppm monomethyl ether hydroquinone as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2CH[OR(H)]CH2OH(R), R = -COC(CH3)=CH2

详细说明

Sigma Aldrich - 436895

包装
100, 500 mL in glass bottle