4821-04-9 ((4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate,(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) Acetate)

CAS号:
4821-04-9
中文名称:
(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
英文名称:
(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) Acetate
分子式:
C12H20O2
分子量:
196.286004066467

(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate(4821-04-9)名称与标识符

名称

中文别名:
(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate;
英文别名:
(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) Acetate;4-TERPINENYL ACETATE;SureCN9951564;4-Carvomenthyl acetate;1-(isopropyl)-4-methylcyclohex-3-en-1-yl acetate;3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate;AG-F-63867;terpinen-4-yl acetate;p-Menth-1-en-4-ol, acetate;4-Terpinenyl-acetat;EINECS 225-395-9;CTK1D7150;AC1L2HC3;4-TERPINENYL ACETATE; 4-terpinenyl acetate; SureCN9951564; 4-Carvomenthyl acetate; 1-(isopropyl)-4-methylcyclohex-3-en-1-yl acetate; 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate; AG-F-63867; terpinen-4-yl acetate; p-Menth-1-en-4-ol, acetate; 4-Terpinenyl-acetat; EINECS 225-395-9; 1-(Isopropyl)-4-methylcyclohex-3-en-1-yl acetate; CTK1D7150; AC1L2HC3;;NS00047224;4-Terpinyl acetate;DTXSID90884114;1-Terpinen-4-ol acetate;4821-04-9;Q27255896;1-TERPINEN-4-YL ACETATE;SCHEMBL9951564;(+/-)-TERPINENE 4-ACETATE;1-ISOPROPYL-4-METHYLCYCLOHEX-3-EN-1-YL ACETATE;Terpin-4-yl acetate;1-Isopropyl-4-methyl-3-cyclohexen-1-yl acetate #;TERPINENE 4-ACETATE, (+/-)-;Terpinen-4-ol, acetate;Terpinene 4-acetate;3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate;4-Terpineol acetate;UNII-302N85584M;Terpinene-4-yl acetate;CHEBI:184320;302N85584M;BFCBRSFYYLSTAA-UHFFFAOYSA-N;

标识符

InChIKey:
BFCBRSFYYLSTAA-UHFFFAOYSA-N
Inchi:
1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3
SMILES:
O(C(C)=O)C1(CC=C(C)CC1)C(C)C

(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate(4821-04-9)物化性质

实验特性

  • LogP : 3.07450
  • PSA : 26.30000
  • 折射率 : 1.467
  • 沸点 : 236.3°C at 760 mmHg
  • 闪点 : 87.9°C
  • 密度 : 0.95

计算特性

  • 精确分子量 : 196.14633
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 196.14633
  • 重原子数量 : 14
  • 复杂度 : 253
  • 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 : 1
  • 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) : 2.8
  • 拓扑分子极性表面积 : 26.3

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