2-methylprop-2-enal

• ChemBase编号: 104302
• 分子式: C4H6O
• 平均质量: 70.08984
• 单一同位素质量: 70.04186481
• SMILES: CC(=C)C=O
• Canonical SMILES: CC(=C)C=O
• InChI: InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
• InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-enal
• IUPAC传统名: methacrolein
• 别名: 异丁烯醛; 2-甲基丙烯醛; 甲基丙烯醛; 2-Methyl-2-propenal; 2-Methylacrolein; 2-Methylenepropanal; 2-Methylpropenal; Methacrylic Aldehyde; Methylacrolein; Methylacrylaldehyde; NSC 8260; α-Methacrolein; α-Methylacrolein; α-Methylacrylaldehyde; Methacrolein; Methacrylaldehyde; METHACROLEIN; Methacrolein; Isobutenal

登记号

• CAS号: 78-85-3
• EC号: 201-150-1
• MDL号: MFCD00006974
• Beilstein号: 1209258
• PubChem SID: 24848091; 162091517
• PubChem CID: 6562
• Chemspider ID: 6314
• 维基百科标题: Methacrolein

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.76988155
• LogD (pH = 7.4): 0.76988155
• Log P: 0.76988155
• 摩尔折射率: 20.7231 cm^3
• 极化性: 7.9271245 Å^3
• 极化表面积: 17.07 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: -81 °C(lit.); -81°C; -81 °C; -81°C
• 沸点: 68-70 °C(lit.); 69°C; 69 °C; 69-70°C
• 闪点: -15°C; -15°C(5°F)
• 密度: 0.847; 0.847 g/cm3; 0.847 g/ml; 0.85 g/mL at 25 °C(lit.)
• 折射率: 1.4160; n20/D 1.416(lit.)
• 蒸汽压: 120 mm Hg at 20 °C; 121 mmHg ( 20 °C); 13.44 psi ( 55 °C); 5.35 psi ( 20 °C)
• 蒸汽密度: 2.4 (vs air)

安全信息

• 保存条件: 2-8°C, Store Under Nitrogen, Protect from light
• 保存注意事项: Light Sensitive
• RTECS编号: OZ2625000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2396; UN2396
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3WE
• 危险公开号: 11-23/24/25-34; 11-24/25-34; R:11-25-27-36/37
• 安全公开号: 16-26-36/37/39-45; 9-16-26-36/37/39-45; S:16-28-29-36/37/39-45
• 欧盟危险货物分类: FT1
• 欧盟危险识别号(EUHIN): 6.1A
• 美国ERG指导号: 131p
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H225-H300-H310-H330-H314-H318; H225-H301-H311-H314
• GHS警示性声明: P210-P280-P301 + P310-P305 + P351 + P338-P310; P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• 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 2396 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: >95%; 95%; 96%, stab. with ca 1000 ppm hydroquinone
• 线性分子式: H2C=C(CH3)CHO

详细说明

MP Biomedicals - 02155377

(Methacrylaldehyde) Purity: >95% 1 ml = approx. 0.85 g

Sigma Aldrich - 133035

General description
被抑制
包装
25 mL in Sure/Seal™
5 mL in glass bottle

Toronto Research Chemicals - M258805

An unsaturated aldehyde used in the manufacture of polymers and synthetic resin. Cancer studies revealed consumption and release of this volatile organic compound in human small cell lung cancer line, a potential cancer biomarker.

参考文献

• Sponring, A. et al.: Cancer Biomarkers, 7, 153 (2010)
• Ligor, M. et al.; Clin. Chem. Lab. Med., 47, 550 92009);