苯乙酮 | 98-86-2

中文名称:苯乙酮
英文名称:Acetophenone
CAS No.:98-86-2
分子式:C8H8O 分子量:120.1485
江苏润丰合成科技有限公司
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上海易势化工有限公司
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简介
Acetophenone 是一种结构简单的有机物。
名称和标识符
  • InChIKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N
  • Inchi:1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
  • SMILES:O=C(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
中文别名
  • 苯乙酮
  • 甲基苯己酮
  • 苯乙酮(标准品)
  • 甲基苯基酮,乙酰苯,1-苯乙酮,蚊蝇净烟棒
  • 苯乙酮 溶液
  • 苯乙酮01
  • 乙酰苯
  • 1-(2-甲基苯氧基)-2-丙醇
  • 1-苯乙酮
  • Acetophenone 乙酰苯
  • Acetophenone 苯乙酮 AR
  • 苯乙酮(法国罗地亚)
  • 苯乙酮,AR
  • 苯乙酮,GC
  • 苯乙酮,GCS
  • 苯乙酮,GR
  • 法国罗地亚苯乙酮
  • 甲基苯基酮
  • 苯乙酮 标准品
  • 苯乙酮 意大利
  • 德国
  • 甲基苯基甲酮
  • 罗地亚
  • 蚊蝇净烟棒
  • 盐酸苯海索杂质 标准品
  • 乙酰苯 标准品
英文别名
  • Acetophenone
  • ACETOPHENONE extrapure AR
  • 1 -Phenyl-1 -ethanone
  • 1-Phenylethan-1-one
  • 1-phenylethanone
  • Acetophenone solution
  • ACETOPHENONE,CP grade bottle of (1)-litre
  • CLP Base Neutral and PAH Mix
  • Composite Mix #3A
  • Composite Mix #3A - Revised
  • Method 625 Modification Standard
  • ACETOPHENON
  • acetylbenzene
  • Acetylbenzene
  • BenzoylMethane
  • Ethanone,1-phenyl
  • Hypnone
  • Method 8270B - Base
  • Methyl phenyl ketone
  • MS Mix 2
  • Neutrals Mix
  • Phenyl methyl ketone
  • Phenylethanone
  • Semi-Volatile by Capillary Column GC
  • alpha-Acetophenone
  • Ethanone, 1-phenyl-
  • Benzoyl methide
  • Acetylbenzol
  • 1-Phenyl-1-ethanone
  • Benzoylmethide
  • Benzene, acetyl-
  • Acetofenon
  • Ketone, methyl phenyl
  • 1-phenyl-ethanone
  • Acetofenon [Czech]
  • RCRA waste number U004
  • Hypnon
  • phenylmethylketone
  • methylphenylketone
  • Dymex
  • FEMA Number 2009
  • RCRA waste no. U004
  • FEMA No. 2009
计算特性
  • 精确分子量:120.05800
  • 氢键供体数量:0
  • 氢键受体数量:1
  • 可旋转化学键数量:1
  • 同位素质量:120.057514874 g/mol
  • 重原子数量:9
  • 复杂度:101
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:0
  • 不确定化学键立构中心数量:0
  • 共价键单元数量:1
  • 疏水参数计算参考值(XlogP):1.6
  • 互变异构体数量:2
  • 表面电荷:0
  • 拓扑分子极性表面积:17.1
  • 分子量:120.15
实验特性
  • LogP:1.88920
  • PSA:17.07000
  • Merck:73
  • 折射率:n20/D 1.534(lit.)
  • 水溶性:5.5 g/L (20 ºC)
  • 沸点:202 °C(lit.)
  • 熔点:19-20 °C (lit.)
  • 蒸气压:0.45 mmHg ( 25 °C)
    1 mmHg ( 15 °C)
  • 闪点:华氏:168.8 °F
    摄氏:76 °C
  • FEMA:2009 | ACETOPHENONE
  • 溶解度:6.1g/l
  • 浓度:5000 μg/mL in methanol
  • 颜色与性状:常温为无色或浅黄色液体,低温为片状晶体,有类似山楂的香味。
  • 稳定性:Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
  • 溶解性:微溶于水,能与醇、醚等多种有机溶剂相混溶。溶解能力与环己酮相似,能溶解硝酸纤维素、醋酸纤维素、乙烯基树脂、香豆酮树脂、醇酸树脂、甘油醇酸树脂等。
  • 敏感性:对湿度敏感
  • 密度:1.03 g/mL at 25 °C(lit.)
  • 折光率:Index of refraction: 1.5372 at 20 °C/D
  • 气味:Sweet pungent odor
国际标准相关数据
  • EINECS:134
  • MDL:MFCD00008724
海关数据
  • 海关编码:2914391000
  • 海关数据:

    中国海关编码:

    2914391000

    申报要素:

    品名, 成分含量, 用途, 丙酮报明包装

    Summary:

    HS: 2914391000 acetophenone Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:4.0% General tariff:11.0%

参考资料
  • Reaxys RN:605842
  • Beilstein:605842
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