76-50-6 (异戊酸龙脑酯,Bornyl isovalerate)

CAS号:
76-50-6
中文名称:
异戊酸龙脑酯
英文名称:
Bornyl isovalerate
分子式:
C15H26O2
分子量:
238.365745067596

异戊酸龙脑酯(76-50-6)名称与标识符

名称

中文别名:
异戊酸龙脑酯;(1S,4R,6R)-1,7,7-三甲基二环[2.2.1]庚-2-基 3-甲基丁酸酯;内型-3-甲基丁酸-1,7,7-三甲基二环[2.2.1]庚-2-基酯;
英文别名:
Bornyl isovalerate;2-Bornyl 3-methylbutyrate;Isovaleric acid 2-bornyl ester;[(1S,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate;BORNEOL ISOVALERATE;BORNYL ISOPENTANOATE;Bornyl-isovalerat;Bornyval;endo-bornyl isovalerate;endo-Bornylisovalerat;Hysterol;7779-73-9;Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-;DTXSID80873577;Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-;Borneol-iso-Valerate = Bornyl iso-Valerate;UNII-X58D56297G;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate;Bornyl 3-methylbutanoate;Isovaleric acid, 2-bornyl ester;Iso-valerianate de bornyle [French];NSC 68007;endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate;Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-;2-Bornyl isovalerate;Isobornyl isopentanoate;SCHEMBL309489;1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate, exo;Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-;W-104361;Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-;Isobornyl 3-methylbutanoate;1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate #;EINECS 231-935-4;AI3-04348;FT-0623173;MPYYVGIJHREDBO-UHFFFAOYSA-N;1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate;endo-3-Methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester;Isobornyl isovalerianate;Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-;A839197;Isobornyl isovalerate;76-50-6;exo - bornyl isovalerate;EINECS 200-966-5;Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-;endo - bornyl isovalerate;Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-;3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester;276885-74-6;Butanoic acid, 3-methyl-, 4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-;(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbutanoate;(-)-Bornyl isovalerate, >=97%;Bornyl isovalerianate;NS00012670;NS00113993;NS00113994;59672-05-8;

标识符

InChIKey:
MPYYVGIJHREDBO-UHFFFAOYSA-N
Inchi:
1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
SMILES:
O(C(CC(C)C)=O)C1CC2CCC1(C)C2(C)C

异戊酸龙脑酯(76-50-6)物化性质

实验特性

  • LogP : 3.79050
  • PSA : 26.30000
  • 折射率 : 1.46
  • 沸点 : 255-260 ºC
  • 闪点 : >110 ºC
  • FEMA : 2165 | BORNYL ISOVALERATE (ENDO-)
  • 颜色与性状 : 无色淡黄色 液体
  • 比旋光度 : -32.5 º (neat)
  • 密度 : 0.949

计算特性

  • 精确分子量 : 238.19300
  • 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 : 238.193
  • 重原子数量 : 17
  • 复杂度 : 319
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 4.6
  • 拓扑分子极性表面积 : 26.3A^2

异戊酸龙脑酯(76-50-6)安全信息

异戊酸龙脑酯(76-50-6)国际标准相关数据

EINECS:
200-966-5

异戊酸龙脑酯(76-50-6)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单
曼氏集团有限公司 金先生询单

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