ethenyl acetate

• ChemBase编号: 130149
• 分子式: C4H6O2
• 平均质量: 86.08924
• 单一同位素质量: 86.03677943
• SMILES: C=COC(=O)C
• Canonical SMILES: CC(=O)OC=C
• InChI: InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
• InChIKey: XTXRWKRVRITETP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethenyl acetate
• IUPAC系统名: Ethenyl ethanoate
• IUPAC传统名: vinyl acetate
• 别名: 醋酸乙烯酯; 乙烯基乙酸酯; 乙酸乙烯酯; 聚醋酸乙烯酯, M.W. ca 50,000; acetoxyethenr; VyAr; VAr; zeset r; VAM vinyl acetate monomer; acetic acid ethenyl ester; 1-acetoxyethylene; Vinyl acetate; Acetic acid vinyl ester; Acetoxyethylene; Vinyl acetate; Polyvinyl acetate, M.W. ca 50,000

登记号

• CAS号: 9003-20-7; 108-05-4
• EC号: 203-545-4
• MDL号: MFCD00084457; MFCD00008713
• Beilstein号: 1209327
• 默克索引号: 149992
• PubChem SID: 24900717; 24869714; 162224433
• PubChem CID: 7904
• KEGG ID: C19309
• 维基百科标题: Vinyl_acetate

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.42722273
• LogD (pH = 7.4): 0.42722273
• Log P: 0.42722273
• 摩尔折射率: 21.105 cm^3
• 极化性: 8.640089 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colorless liquid
• 熔点: -100°C; -93 °C(lit.); -93°C
• 沸点: 72.7°C; 72-73 °C(lit.); 72-73°C
• 闪点: 17.6 °F; -8 °C; -8 °C; -8°C(18°F)
• 自燃点: 427 °C; 801 °F
• 密度: 0.932; 0.932 g/mL at 20 °C; 0.934 g/cm^3; 0.934 g/mL at 25 °C(lit.)
• 折射率: 1.3960; n20/D 1.395; n20/D 1.395(lit.)
• 蒸汽压: 88 mmHg ( 20 °C)
• 蒸汽密度: 3 (vs air)

安全信息

• RTECS编号: AK0875000
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1301; UN1301
• 德国WGK号: 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11; R11
• 安全公开号: 16-23-29-33; S16, S23, S29, S33
• TSCA收录: 是
• GHS危险品标识: GHS02
• GHS警示词: Danger
• NFPA704:
  

  3

  2

  2
• 爆炸极限: 13.4 %; 2.6–13.40%
• GHS危险声明: H225
• GHS警示性声明: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1301 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99%; ≥99.0% (GC); 99%, stab. with 8-12ppm hydroquinone
• 级别: analytical standard; CP; purum
• 包装: pkg of 1000 mg
• 适用性: suitable for 8240 per US EPA; suitable for 8260 per US EPA
• 其他组分: ~0.0015% hydroquinone as stabilizer; 3-20 ppm hydroquinone as inhibitor
• 线性分子式: CH3CO2CH=CH2

详细说明

Sigma Aldrich - V1503

包装
1, 2, 2.5 L in glass bottle
18 L in steel drum
25 mL in glass bottle

Sigma Aldrich - 48486

Other Notes
Contains 3-20 ppm hydroquinone as an inhibitor

参考文献

• For example of mercuric acetate-catalyzed transesterification to long-chain vinyl esters, see: Org. Synth. Coll., 4, 977 (1963).
• For thermal [2+2] cycloaddition with chlorotrifluoroethylene, see: Org. Synth. Coll., 5, 235 (1973); and with chlorosulfonyl isocyanate to give a ?-lactam: Org. Synth. Coll., 8, 3 (1993).