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1-(4-甲基苯基)-1-丁酮 | 4160-52-5

1-(4-甲基苯基)-1-丁酮
4'-Methylbutyrophenone
4160-52-5
C11H14O
162.2283
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-(4-甲基苯基)-1-丁酮结构式
77811
名称和标识符
MDL MFCD00027139
InChIKey CIYAESDXUTVTAL-UHFFFAOYSA-N
Inchi 1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
SMILES O=C(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])C([H])([H])C([H])([H])C([H])([H])[H]
别名信息
- 中文别名 -
  • 4-甲基苯丁酮
  • 1-(4-甲基苯基)-1-丁酮
- 英文别名 -
  • 1-(p-Tolyl)butan-1-one
  • 4´-Methylbutyrophenone
  • 1-(4-Methylphenyl)butan-1-one
  • 1-Butanone,1-(4-methylphenyl)-
  • 4’-Methylbutyrophenone
  • 4'-Methylbutyrophenone
  • 4-METHYLBUTYROPHENONE
  • NSC 163487
  • 1-Butanone, 1-(4-methylphenyl)-
  • Butyrophenone, 4'-methyl-
  • p-Methyl butyrophenone
  • 1-(4-methylphenyl)-1-butanone
  • CIYAESDXUTVTAL-UHFFFAOYSA-N
  • p-Methylbutyrophenone
  • NSC163487
  • 4-Methyl-Butyrophenone
  • 1-p-tolylbutan-1-one
  • 1-p-tolyl-butan-1-one
  • 1-(4-Tolyl)-1-butanone
  • 5727AB
  • SBB017369
  • 4-Methylbutyrophenon
  • ST078
  • AKOS004911121
  • NSC-163487
  • DTXSID10194424
  • MFCD00027139
  • N13972
  • EINECS 223-996-0
  • SCHEMBL507742
  • A873033
  • 4160-52-5
  • UNII-5ANP7X3QJ7
  • CS-W010856
  • FT-0635162
  • 4-Methylbutyrophenone
  • NS00031012
  • 5ANP7X3QJ7
  • 1-(4-methylphenyl)butan-1-one
物化性质
实验特性
LogP 2.97780
PSA 17.07000
折射率 1.5232 (589.3 nm 20 ºC)
沸点 252 ºC (739 Torr)
熔点 12 ºC
闪点 110.1±8.8 ºC,
溶解度 Very 微溶 (0.28 g/L) (25 ºC),
密度 0.952±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 162.10400
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 3
同位素质量 162.104
重原子数量 12
复杂度 143
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) 2.9
拓扑分子极性表面积 17.1
安全信息
国际标准相关数据
EINECS 223-996-0
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%

相关文献
  • 1. Light induced controlled release of fragrances by Norrish type II photofragmentation of alkyl phenyl ketones
    Barbara Levrand,Andreas Herrmann Photochem. Photobiol. Sci. 2002 1 907
  • 2. An overview of recent developments in the analytical detection of new psychoactive substances (NPSs)
    Jamie P. Smith,Oliver B. Sutcliffe,Craig E. Banks Analyst 2015 140 4932
  • 3. Efficient and convenient entry to β-hydroxy-β-trifluoromethyl-β-substituted ketones and 2,6-disubstituted 4-trifluoromethylpyridines based on the reaction of trifluoromethyl ketones with enamines or imines
    Kazumasa Funabiki,Akie Isomura,Yoshihiro Yamaguchi,Wataru Hashimoto,Kei Matsunaga,Katsuyoshi Shibata,Masaki Matsui J. Chem. Soc. Perkin Trans. 1 2001 2578
  • 4. Intramolecular cycloadditions of α- and β-allylthioalkyl diazoalkanes
    Kiyosi Kondo,Iwao Ojima J. Chem. Soc. Chem. Commun. 1972 63
  • 5. Notes
    R. A. Ross,N. Henry,S. N. Nabi,Safura N. Nabi,N. K. Das,I. R. Beattie,P. A. Cocking,I. L. Finar,K. J. Saunders,A. Goldup,A. B. Morrison,G. W. Smith,A. R. Blake,K. N. Bascombe,M. Cowperthwaite,R. Shaw,C. B. Barlow,R. D. Guthrie,D. Murphy,V. Askam,D. Bailey,D. Jaques,J. D. Donaldson,J. D. O'Donogue,R. Oteng,J. Powell,B. L. Shaw,T. van Es,P. S. Bramwell,A. O. Fitton,E. E. Glover,G. H. Morris,E. N. Morgan,P. J. Palmer,L. Kruszynska,W. R. N. Williamson,J. A. McCleverty,A. Davison,G. Wilkinson,L. T. Allan,G. A. Swan,J. Lewis,F. Mabbs,H. D. Law,H. Goldwhite,R. A. Heacock,O. Hutzinger J. Chem. Soc. 1965 3854
专业数据库参考
PubChemId 77811
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