2-hydroxyethyl 2-methylprop-2-enoate

• ChemBase编号: 131584
• 分子式: C6H10O3
• 平均质量: 130.1418
• 单一同位素质量: 130.06299418
• SMILES: CC(=C)C(=O)OCCO
• Canonical SMILES: CC(=C)C(=O)OCCO
• InChI: InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3
• InChIKey: WOBHKFSMXKNTIM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxyethyl 2-methylprop-2-enoate
• IUPAC传统名: HEMA
• 别名: 乙二醇单甲基丙烯酸酯; 甲基丙烯酸2-羟乙酯; 2-羟基乙基甲基丙烯酸酯; 2-羟基乙基 甲基丙烯酸盐; HEMA; 2-Hydroxyethyl methacrylate; 1,2-Ethanediol mono(2-methylpropenoate); Glycol methacrylate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-Methyl-2-propenoic Acid 2-Hydroxyethyl Ester; 2-(Methacryloyloxy)ethanol; Acryester HISS; Acryester HO; Bisomer HEMA; Bisomer SR; Blemmer E; EB 109; Ethylene Glycol Methacrylate; Ethylene Glycol Monomethacrylate; GE 610; Glycol Monomethacrylate; HEMA 90; Light Ester HO; Light Ester HO 250; Mhoromer BM 903; Mhoromer BM 905; Monomer MG 1; NSC 24180; Rocryl 400; β-Hydroxyethyl Methacrylate; 2-Hydroxyethyl Methacrylate; Methacrylic acid 2-hydroxyethyl ester

登记号

• CAS号: 868-77-9
• EC号: 212-782-2
• MDL号: MFCD00002863
• Beilstein号: 1071583
• PubChem SID: 24847870; 24850449; 24871325; 162225862; 24874485
• PubChem CID: 13360

理论计算性质

• Acid pKa: 15.095923
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.61762315
• LogD (pH = 7.4): 0.61762315
• Log P: 0.61762315
• 摩尔折射率: 32.7099 cm^3
• 极化性: 12.963648 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Pale Yellow Oil
• 熔点: -12°C
• 沸点: 250°C; 67 °C/3.5 mmHg(lit.)
• 闪点: 101 °C; 101°C(213°F); 204.8 °F; 214 °F; 96 °C
• 密度: 1.071; 1.071 g/mL at 20 °C; 1.073 g/mL at 25 °C(lit.)
• 折射率: 1.4530; n20/D 1.453; n20/D 1.453(lit.)
• 蒸汽压: 0.01 mmHg ( 25 °C)
• 蒸汽密度: 5 (vs air)
• 疏水性(logP): 0.303

安全信息

• 保存条件: Amber Vial, -20°C Freezer
• 保存注意事项: Air Sensitive
• RTECS编号: OZ4725000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1; 3
• 危险公开号: 36/37/38-43; 36/38-43
• 安全公开号: 26-28; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319; H315-H317-H319-H335; H315-H319-H317
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P280-P305+P351+P338-P302+P352-P321-P501A; 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
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95% (GC); ≥97.0% (GC); ≥99%; ≥99.0% (GC); 95%; 97%; 97%, stab. with ca 500ppm 4-methoxyphenol; 98%
• 级别: embedding medium (for microscopy); puriss.; purum; technical
• 杂质: <250 mg/kg free acid (as methycrylic acid) (T)
• 其他组分: ~0.001% hydroquinone monomethyl ether as stabilizer; ~0.001% hydroquinone monomethylether as stabilizer; ≤50 ppm monomethyl ether hydroquinone as inhibitor; 200 ppm monomethyl ether hydroquinone as inhibitor; 200-220 ppm monomethyl ether hydroquinone as inhibitor; 300 ppm hydroquinone monomethyl ether as inhibitor; hydroquinone monomethyl ether as stabilizer
• 线性分子式: CH2=C(CH3)COOCH2CH2OH

详细说明

Sigma Aldrich - 17348

Application
2-Hydroxyethyl methacrylate has been used in a study to describe a novel methodology for grafting polymers via radical photopolymerization initiated on gold surfaces by aryl layers from diazonium salt precursors. 2-Hydroxyethyl methacrylate has also been used in a study to provide insight into the induction of apoptosis and the differential expression of antioxidant enzymes depending on the availability of glutathione.

Sigma Aldrich - 525464

包装
100 mL in glass bottle

Sigma Aldrich - 477028

Application
用于给药的聚合物水凝胶。1
包装
25, 100 mL in poly bottle

Sigma Aldrich - 128635

包装
1 kg in poly bottle
5 g in glass bottle
18 kg in comp drum
500 g in poly bottle

Toronto Research Chemicals - H942230

Used for preparation of hydrophilic polymers for biomedical devices.

参考文献

• Delbressine, L., et al.: Xenobiotica, 11, 241 (1981)
• Gerberick, G., et al.: Toxicol. Sci., 97, 417 (1981)