2-methylprop-2-enoic acid

• ChemBase编号: 89826
• 分子式: C4H6O2
• 平均质量: 86.08924
• 单一同位素质量: 86.03677943
• SMILES: O=C(O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)O
• InChI: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
• InChIKey: CERQOIWHTDAKMF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-enoic acid
• IUPAC传统名: methacrylic acid
• 别名: 2-甲基丙烯酸; 异丁烯酸; 甲基丙烯酸; 2-Methylacrylic acid; methacrylic acid; 2-Methylprop-2-enoic acid; Methacrylic acid 99+%; MAA; 2-methyl-2-propenoic acid; 2-Methacrylic acid; 2-Methylpropenoic acid; Methacrylic acid

登记号

• CAS号: 79-41-4
• EC号: 201-204-4
• MDL号: MFCD00002651
• Beilstein号: 1719937
• 默克索引号: 145941
• PubChem SID: 24849561; 24864158; 24883097; 162076681
• PubChem CID: 4093
• 维基百科标题: Methacrylic_acid

理论计算性质

• Acid pKa: 4.850526
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.19176336
• LogD (pH = 7.4): -1.5789503
• Log P: 0.9284978
• 摩尔折射率: 21.6485 cm^3
• 极化性: 8.399095 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid
• 熔点: 12-16 °C(lit.); 12-16°C; 14 - 15 °C; 16°C
• 沸点: 161 °C; 163 °C(lit.); 163°C; 163°C
• 闪点: 170.6 °F; 65°C(149°F); 77 °C; 77°C
• 自燃点: 752 °F
• 密度: 1.015; 1.015 g/cm^3; 1.015 g/mL at 20 °C; 1.015 g/mL at 25 °C(lit.)
• 折射率: 1.4310; n20/D 1.431; n20/D 1.431(lit.)
• 蒸汽压: 1 mmHg ( 20 °C)
• 蒸汽密度: >3 (vs air)

安全信息

• 保存注意事项: Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon; Moisture Sensitive
• RTECS编号: OZ2975000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2531; UN2531
• 德国WGK号: 1
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 21/22-35
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• NFPA704:
  

  2

  3

  2
• GHS危险声明: H302 + H312-H314-H335; H302-H312-H314; H314-H302-H312-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2531 8/PG 2

产品相关信息

• 纯度: ≥98.0%; ≥98.0% (T); 99%; 99%, stab. with 100-250ppm hydroquinone or 4-methoxyphenol; 99+%, stab. with 250ppm 4-methoxyphenol
• 级别: purum; SAJ first grade
• 其他组分: ~0.025% hydroquinone monomethyl ether as stabilizer; 100-250 ppm hydroquinone as inhibitor; 250 ppm MEHQ as inhibitor
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: H2C=C(CH3)COOH
• 分类: Genuine Natural Compounds

详细说明

Apollo Scientific Ltd - OR54367

Stabilised with 250ppm MEHQ

InterBioScreen - BB_NC-2230

Isomers

Sigma Aldrich - 155721

包装
18 kg in VerSA-Flow™
5, 100, 500 g in glass bottle
2, 3 kg in glass bottle

Sigma Aldrich - 395374

包装
100 mL in glass bottle
2 L in glass bottle

Sigma Aldrich - 64050

Caution
可能会发生聚合