22567-17-5 (天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-,Azulene,1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1R,3aR,4R,7R)-)

CAS号:
22567-17-5
中文名称:
天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-
英文名称:
Azulene,1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1R,3aR,4R,7R)-
分子式:
C15H24
分子量:
204.351064682007

天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-(22567-17-5)名称与标识符

名称

英文别名:
Azulene,1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1R,3aR,4R,7R)-;(+)-γ-GURJUNENE;(3R,6R,7R,10R)-6,10-DIMETHYL-3-ISOPROPENYL-BICYCLO[5.3.0]DEC-1-ENE;[1R-(1alpha,3abeta,4alpha,7beta)]-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene;1beta,4betaH,10betaH-Guaia-5,11-diene;5,11-Guaiadiene;7-Isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene;.gamma.-Gurjunene;(1R-(1alpha,3Abeta,4alpha,7beta))-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene;gamma-Gurjunene;915104-82-4;DTXSID80275870;Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1R,3aR,4R,7R)-;(+)-gamma-Gurjunene;1.beta.,4.beta.H,10.beta.H-Guaia-5,11-diene;1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene;Q67880022;1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene;1, 4-dimethyl-7-prop-1-en-2-yl-1, 2, 3, 3a, 4, 5, 6, 7-octahydroazulene;FT-0699685;1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-azulene;NS00050200;EINECS 245-084-1;22567-17-5;Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,3a.beta.,4.alpha.,7.beta.)]-;CHEBI:178033;7-Isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene #;1,4-Dimethyl-7-(1-methylethenyl)-octahydroazulene;DTXSID101037142;

标识符

InChIKey:
DUYRYUZIBGFLDD-UHFFFAOYSA-N
Inchi:
1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3
SMILES:
C12CCC(C)C1=CC(C(=C)C)CCC2C

天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-(22567-17-5)物化性质

实验特性

  • LogP : 4.58110
  • PSA : 0.00000
  • 折射率 : n20/D 1.502
  • 沸点 : 264-266 °C(lit.)
  • 闪点 : 110 °C
  • 密度 : 0.918 g/mL at 20 °C(lit.)

计算特性

  • 精确分子量 : 204.18800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 同位素质量 : 204.188
  • 重原子数量 : 15
  • 复杂度 : 284
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : 5.3
  • 拓扑分子极性表面积 : 0A^2

天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-(22567-17-5)安全信息

天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-(22567-17-5)海关数据

海关编码:
2902909090
海关数据:

中国海关编码:

2902909090

概述:

2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%

申报要素:

品名, 成分含量

Summary:

2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

天青烯,1,2,3,3a,4,5,6,7-八氢-1,4-二甲基-7-(1-甲基乙烯基)-,(1R,3aR,4R,7R)-(22567-17-5)相关文献