对乙基苯乙酮 | 937-30-4
中文名称：
对乙基苯乙酮
英文名称：
4'-Ethylacetophenone
CAS No.：
937-30-4
分子式：
C1 0 H1 2 O
分子量：
148.201683044434
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：对乙基苯乙酮结构式
名称和标识符
MDL
MFCD00009262
InChIKey
NODGRWCMFMEGJH-UHFFFAOYSA-N
Inchi
1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
SMILES
O=C(C)C1C=CC(CC)=CC=1
BRN
1906029
别名信息
- 中文别名 -
对乙基苯乙酮
4-乙基苯乙酮
4'-乙基苯乙酮
3'-氯联苯-3-羧酸
4′-乙基苯乙酮
4'-Ethylacetophenone 4'-乙基苯乙酮
- 英文别名 -
4'-Ethylacetophenone
1-(4-ethylphenyl)ethanone
4-Ethylacetophenone
p-Ethylacetophenone
1-(4-Ethylphenyl)-ethanone
Ethanone, 1-(4-ethylphenyl)-
p-Acetylethylbenzene
Acetophenone, 4'-ethyl-
p-Ethylphenyl methyl ketone
LSA7B53YDO
1-(4-ethylphenyl)ethan-1-one
NODGRWCMFMEGJH-UHFFFAOYSA-N
4 -Ethylacetophenone
1-acetyl-4-ethylbenzene
Q63398062
NSC6768
p-Ethylaceto-phenone
4-Ethylacetophenone.
PubChem15495
ASISCHEM D29258
4'-Ethylacetophenone, 9
4’-Ethylacetophenone
1-(4-Ethylphenyl)ethanone (ACI)
Acetophenone, 4′-ethyl- (6CI, 7CI, 8CI)
Acetophenone, p-ethyl- (4CI)
1-(4-Ethylphenyl)ethan-1-one
1-Acetyl-4-ethylbenzene
4′-Ethylacetophenone
NSC 6768
p-Ethyl-hypnone
1-(4-Ethylphenyl)ethanone
物化性质
实验特性
LogP
2.45160
PSA
17.07000
折射率
n20/D 1.5293(lit.)
水溶性
Not miscible or difficult to mix in water. Soluble in alcohol.
沸点
125 °C/20 mmHg(lit.)
熔点
−20.6 °C (lit.)
闪点
华氏：195.8 °F
颜色与性状
无色或微黄色液体
溶解性
未确定
密度
0.993 g/mL at 25 °C(lit.)
计算特性
精确分子量
148.08900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
2
同位素质量
148.089
重原子数量
11
复杂度
132
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）
2.5
互变异构体数量
7
表面电荷
0
拓扑分子极性表面积
17.1
海关数据
海关编码
2914399090
海关数据
中国海关编码：
2914399090
概述：
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙酮报明包装
Summary：
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
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2.
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5.
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参考资料
Reaxys RN
1906029
Beilstein
7(3)1101
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