3-[3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propoxy]-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate 3-{3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propoxy}-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate

• ChemBase编号: 145472
• 分子式: C53H66O25
• 平均质量: 1103.07614
• 单一同位素质量: 1102.38931761
• SMILES: C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
• Canonical SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO
• InChI: InChI=1S/C28H34O13.C25H32O12/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6;1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h7-12H,1-6,13-20H2;6-10,26H,1-5,11-18H2
• InChIKey: WDCLDIHFVMMPSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propoxy]-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate 3-{3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propoxy}-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• IUPAC传统名: 3-[3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propoxy]-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate 3-{3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propoxy}-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• 别名: 二季戊四醇戊-/己-丙烯酸; Dipentaerythritol penta-/hexa-acrylate

登记号

• CAS号: 60506-81-2
• MDL号: MFCD00192104
• PubChem SID: 162239677; 24865441
• PubChem CID: 71311163

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 4.269041
• LogD (pH = 7.4): 4.269041
• Log P: 4.269041
• 摩尔折射率: 142.7405 cm^3
• 极化性: 56.33199 Å^3
• 极化表面积: 167.03 Å^2
• 可自由旋转的化学键: 53
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 113 °C; 235.4 °F
• 密度: 1.155 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.49(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 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

产品相关信息

• 其他组分: 500 ppm monomethyl ether hydroquinone as inhibitor
• 线性分子式: O[CH2C(CH2OR)3]2, R = COCH=CH2 or H

详细说明

Sigma Aldrich - 407283

包装
100, 500 mL in poly bottle