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1-丁酸萘基酯 | 3121-70-8

1-丁酸萘基酯
1-naphthyl butyrate
3121-70-8
C14H14O2
214.25976
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-丁酸萘基酯结构式
87564039
1-丁酸萘基酯价格
名称和标识符
MDL MFCD00003923
InChIKey XIVJNRXPRQKFRZ-UHFFFAOYSA-N
Inchi InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
SMILES CCCC(=O)OC1=CC=CC2=CC=CC=C21
BRN 2558646
别名信息
- 中文别名 -
  • 1-丁酸萘基酯
  • 丁酸1-萘酯
  • 1-萘基丁酸酯
  • 1-Naphthyl Butyrate 丁酸1-萘酯
  • 1-丁酸萘酯
  • 1-萘丁酸酯
  • 丁酸-1-萘酯
  • 正丁酸1-萘酯
- 英文别名 -
  • 1-naphthyl butyrate
  • 1-Butyryloxy-naphthalin
  • 1-Naphthyl butanoate
  • 1-NAPHTHYL N-BUTYRATE
  • 1-NAPHTHYLBUTYRAT
  • A-NAPHTHYL BUTYRATE
  • BUTANOIC ACID 1-NAPHTHYL ESTER
  • Buttersaeure-[1]naphthylester
  • Butyric Acid 1-Naphthyl Ester
  • butyric acid-[1]naphthyl ester
  • Naphthyl-(1)-butyrat
  • 1-Naphthyl butyrate, esterase substrate
  • 1,1-BIPHENYL,3-(CHLOROMETHYL)-
  • NS00029037
  • n-Butyric acid .alpha.-naphthyl ester
  • NSC97269
  • alpha-Naphthyl-n-butyrate
  • .alpha.-Naphthyl-n-butyrate
  • MFCD00003923
  • .alpha.-Naphthyl butyrate
  • EINECS 221-500-7
  • NSC 97269
  • Butyric acid 1-naphthyl ester
  • B1096
  • naphthalen-1-yl butanoate
  • Butanoic acid 1-naphthyl ester
  • AI3-18358
  • SCHEMBL447135
  • AS-58219
  • UNII-9UZL9U0CIK
  • Q27273258
  • AKOS024348853
  • Butyric acid, 1-naphthyl ester
  • naphthyl butyrate
  • XIVJNRXPRQKFRZ-UHFFFAOYSA-N
  • 9UZL9U0CIK
  • AO-548/13304028
  • NSC-97269
  • alpha-Naphthyl butyrate
  • Naphthalen-1-yl butyrate
  • Naphthalen-1-ylbutyrate
  • D88751
  • Butanoic acid, 1-naphthalenyl ester
  • DTXSID9062851
  • FT-0608120
  • 3121-70-8
  • 1-Naphthyl butyrate esterase substrate
  • 1-Naphthyl butyrate
物化性质
实验特性
LogP 3.54530
PSA 26.30000
折射率 n20/D 1.571(lit.)
沸点 182°C/18mmHg(lit.)
闪点 144 °F
颜色与性状 无可用
溶解性 无可用
密度 1.091 g/mL at 20 °C(lit.)
计算特性
精确分子量 214.09900
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 4
同位素质量 214.099
重原子数量 16
复杂度 237
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)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 26.3A^2
国际标准相关数据
EINECS 221-500-7
相关文献
  • 1. Conversion of polyethylene terephthalate into pure terephthalic acid through synergy between a solid-degrading cutinase and a reaction intermediate-hydrolysing carboxylesterase
    Arpita Mrigwani,Bhishem Thakur,Purnananda Guptasarma Green Chem. 2022 24 6707
  • 2. Synthesis of polycyclic compounds. Part VIII. Friedel–Crafts acylation with anhydrides of tricarboxylic acids. Synthesis of 16,17-dihydro-17-methyl-15H-cyclopenta[a]phenanthrene
    K. R. Tatta,J. C. Bardhan J. Chem. Soc. C 1968 893
  • 3. 191. Syntheses in the phenanthrene series. Part VII. 5 : 9-Dimethoxy-and 5-methoxy-1-methylphenanthrene
    Peter Hill,W. F. Short,H. Stromberg J. Chem. Soc. 1937 937
  • 4. Formula index
    J. Chem. Soc. 1938 2157
  • 5. 13. The synthesis of compounds related to the sterols, bile acids, and oestrus-producing hormones. Part IX
    A. Cohen,J. W. Cook,C. L. Hewett J. Chem. Soc. 1936 52
  • 6. Naturally occurring compounds related to phenalenone. Part V. Synthetic approaches to structures based on 8,9-dihydro-8,8,9-trimethylphenaleno[1,2-b]furan-7-one
    David A. Frost,George A. Morrison J. Chem. Soc. Perkin Trans. 1 1973 2159
  • 7. 32. Experiments on the synthesis of substances related to the sterols. Part XIX
    Robert Robinson,James Walker J. Chem. Soc. 1938 183
专业数据库参考
PubChemId 87564039
参考资料
Reaxys RN 2558646
Beilstein 9(3)491
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