(1R)-( )-α-蒎烯 | 7785-70-8

中文名称:(1R)-( )-α-蒎烯
英文名称:(+)-alpha-Pinene
CAS No.:7785-70-8
分子式:C10H16 分子量:136.2340
名称和标识符
  • InChIKey:GRWFGVWFFZKLTI-RKDXNWHRSA-N
  • Inchi:1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
  • SMILES:C1(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C(C([H])([H])[H])=C([H])C([H])([H])[C@]1([H])C2([H])[H]
  • BRN:3648264
中文别名
  • (1R)-( )-α-蒎烯
  • ( )-α-蒎烯
  • (1R)-(+)-α蒎烯
  • (1R)-(+)-alpha-蒎烯
  • (1R)-(+)-α-蒎烯
  • (-)-α-蒎烯
  • (+)-a-蒎烯
  • (+)-α-蒎烯
  • (1R)-(+)-alpha-Pinene (1R)-(+)-α-蒎烯
  • α-蒎烯
  • α-蒎烯右旋蒎烯
  • 蒎烯
  • 右旋α-蒎烯
  • (1R,5R)-2-蒎烯
  • (1R,5R)-2,6,6-三甲双环[3.1.1]庚-2-烯
  • (1R)-2,6,6-三甲基二环[3.3.1]庚-2-烯
英文别名
  • (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
  • (ir)-(+)-A-pinene
  • (+)-alpha-Pinene
  • (+)-(1R,5R)-alpha-pinene
  • (+)-(1R,5R)-α-pinene
  • (+)-α-Pinene
  • (1R)-(+)-ALPHA-PINENE
  • (1R)-(+)-α-Pinene
  • (1R)-(+)-α-Pinene (9
  • ALPHA-PINENE
  • PINENE, (1R)-(+)-alpha-(AS)
  • (+)-pin-2(3)-ene
  • (R)-α-Pinene
  • 1R-(+)-α-Pinene
  • 1R-α-Pinene
  • 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1R,5R)-
  • Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-
  • Dextro-alpha-pinene
  • d-α-Pinene
  • α-Pinene(dextro)
  • α-Pinene, (D)-
  • (1R)-(+)-a-pinene
  • (1R)-(+)-pin-2-ene
  • (1R,5R)-alpha-pinene
  • H6CM4TWH1W
  • (1R,5R)-2-Pinene
  • (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE
  • Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-
  • (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
  • Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-
  • alpha-Pinene(dextro)
  • 1R-(+)-a-pinene
  • (1S)-(-)-alpha-Pinene
  • alph
计算特性
  • 精确分子量:136.12528
  • 氢键供体数量:0
  • 氢键受体数量:0
  • 可旋转化学键数量:0
  • 同位素质量:136.125200510 g/mol
  • 重原子数量:10
  • 复杂度:186
  • 同位素原子数量:0
  • 确定原子立构中心数量:2
  • 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):2.8
  • 互变异构体数量:
  • 表面电荷:0
  • 拓扑分子极性表面积:0
  • 分子量:136.23
实验特性
  • LogP:4.83 (LogP)
  • PSA:0
  • Merck:7445
  • 折射率:n20/D 1.465(lit.)
  • 水溶性:Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
  • 沸点:155-156 °C(lit.)
  • 熔点:−62 °C (lit.)
  • 闪点:华氏:91.4 °F
    摄氏:33 °C
  • 溶解度:4.071 mg/L @ 25 °C (est)
  • 颜色与性状:未确定
  • 光学活性:[α]21/D +50.7°, neat
  • 密度:0.858 g/mL at 20 °C(lit.)
国际标准相关数据
  • EINECS:232-087-8
参考资料
  • Reaxys RN:13246646
  • Beilstein:2038653