80-53-5 (萜品,p-menthane-1,8-diol)

快速询单

结构式：

萜品MOL文件

CAS号：

80-53-5

中文名称：

萜品

英文名称：

p-menthane-1,8-diol

分子式：

C₁₀H₂₀O₂

分子量：

172.264603614807

萜品(80-53-5)名称与标识符

名称

中文别名：

对薄荷烷-1,8-二醇;萜品;

英文别名：

p-menthane-1,8-diol;1,8-Terpin;TERPIN HYDRATE,PURIFIED;TERPIN, HYDRATE USP STANDARD;1,4-Terpin;1,8-Terpenediol;4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol;

标识符

InChIKey：

RBNWAMSGVWEHFP-UHFFFAOYSA-N

Inchi：

1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3

SMILES：

CC(C1CCC(O)(C)CC1)(O)C

萜品(80-53-5)物化性质

实验特性

LogP : 1.69850
PSA : 40.46000
折射率 : 1.49
沸点 : 265.0±8.0 ºC (760 Torr),
熔点 : 158 ºC
闪点 : 119.0±13.0 ºC,
溶解度 : 微溶 (8.8 g/L) (25 ºC),
密度 : 1.018±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 172.14633
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 172.14633
重原子数量 : 12
复杂度 : 155
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
拓扑分子极性表面积 : 40.5

萜品(80-53-5)国际标准相关数据

EINECS：

201-288-2

萜品(80-53-5)相关文献

1. The chemistry of terpenes. Part XV. Some oxygenated derivatives of p-menthane
W. Cocker,K. J. Crowley,K. Srinivasan J. Chem. Soc. Perkin Trans. 1 1972 1971
2. Monitoring of biotransformation of hop aroma compounds in an in vitro digestion model
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4. Highly efficient conversion of terpenoid biomass to jet-fuel range cycloalkanes in a biphasic tandem catalytic process
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Rikke Hammersh?j,Karina K. Sj?holm,Heidi Birch,Kristian K. Brandt,Philipp Mayer Environ. Sci.: Processes Impacts 2020 22 2172
7. XXXIV.—On terpin and terpinol
William A. Tilden J. Chem. Soc. Trans. 1879 35 286
8. XXVIII.—On terpin and terpinol. (Preliminary.)
William A. Tilden J. Chem. Soc. Trans. 1878 33 247
9. Solid-state photochromic arylazopyrazole-based transition metal complexes
Debapriya Gupta,Ankit Kumar Gaur,Deepanshu Chauhan,Sandeep Kumar Thakur,Vaitheesh Jeyapalan,Sanjay Singh,Gopalan Rajaraman,Sugumar Venkataramani Inorg. Chem. Front. 2022 9 2315
10. P,N-type phosphaalkene-based Ir(i) complexes: synthesis, coordination chemistry, and catalytic applications
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