5454-79-5 (顺式-3-甲基环己烷-1-醇,cis-3-methylcyclohexan-1-ol)

快速询单

结构式：

顺式-3-甲基环己烷-1-醇MOL文件

CAS号：

5454-79-5

中文名称：

顺式-3-甲基环己烷-1-醇

英文名称：

cis-3-methylcyclohexan-1-ol

分子式：

C₇H₁₄O

分子量：

114.185462474823

顺式-3-甲基环己烷-1-醇(5454-79-5)名称与标识符

名称

中文别名：

cis-3-甲基环己醇;

英文别名：

Cyclohexanol,3-methyl-, (1R,3S)-rel-;CIS-3-METHYLCYCLOHEXANOL;cis-3-methyl-cyclohexanol;rac-cis-3-methylcyclohexanol;cis-3-methylcyclohexan-1-ol;Cyclohexanol, 3-methyl-, cis-;3-Methylcyclohexanol, (Z)-;3-Methyl cyclohexanol, cis;(1R,3S)-3-methylcyclohexan-1-ol;NSC 23234;J-015752;DTXSID001031658;24965-90-0;CYCLOHEXANOL, 3-METHYL-, (1R,3S)-;5454-79-5;HTSABYAWKQAHBT-NKWVEPMBSA-N;24965-91-1;SCHEMBL440953;Cyclohexanol, 3-methyl-, cis-(8CI);Cyclohexanol, 3-methyl-, cis-(8CI)(9CI);

标识符

MDL：

MFCD00067155

InChIKey：

HTSABYAWKQAHBT-NKWVEPMBSA-N

Inchi：

1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1

SMILES：

O[C@@H]1CCC[C@H](C)C1

顺式-3-甲基环己烷-1-醇(5454-79-5)物化性质

实验特性

LogP : 1.55740
PSA : 20.23000
折射率 : 1.4752
沸点 : 163.73°C (estimate)
熔点 : -5.5°C
闪点 : 62.8°C
密度 : 0.9110

计算特性

精确分子量 : 114.10400
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 114.104
重原子数量 : 8
复杂度 : 70.8
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） : 1.8
拓扑分子极性表面积 : 20.2A^2

顺式-3-甲基环己烷-1-醇(5454-79-5)海关数据

海关编码：

2906199090

海关数据：

中国海关编码：

2906199090

概述：

2906199090. 其他环烷醇，环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

顺式-3-甲基环己烷-1-醇(5454-79-5)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269		询单

顺式-3-甲基环己烷-1-醇(5454-79-5)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Hydrogen peroxide , Oxygen Catalysts: Nitric acid , Sodium, [μ13-[1,15-bis[[di(hydroxy-κO:κO)phenylsilyl]oxy-κO]-1,3,5,7,9,11,13,15-… Solvents: Acetonitrile

参考文献：

A heterometallic (Fe6Na8) cage-like silsesquioxane: synthesis, structure, spin glass behavior and high catalytic activity

Bilyachenko, Alexey N.; Levitsky, Mikhail M.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Vologzhanina, Anna V.; et al, RSC Advances, 2016, 6(53), 48165-48180

顺式-3-甲基环己烷-1-醇(5454-79-5)相关文献

1. Jet-cooled laser-induced fluorescence spectroscopy of methylcyclohexoxy radicals
Jiali Lin,Qijun Wu,Gaiting Liang,Lily Zu,Weihai Fang RSC Adv. 2012 2 583
2. Preparation and application of surface activated Si-MCM-41 and SBA-16 as reusable supports for reduction of cyclic ketones with preferential stereoselectivity
Haribandhu Chaudhuri,Subhajit Dash,Ashis Sarkar RSC Adv. 2016 6 99444
3. 424. Cyclohexane derivatives. Part II. The mechanism of catalytic hydrogenation of cyclic compounds
R. J. Wicker J. Chem. Soc. 1956 2165
4. Redefining solubility parameters: the partial solvation parameters
Costas Panayiotou Phys. Chem. Chem. Phys. 2012 14 3882
5. 188. Epimeric alcohols of the cyclohexane series. Part V. The optically inactive 3-methylcyclohexanols
A. Killen Macbeth,J. A. Mills J. Chem. Soc. 1945 709
6. 49. Epimeric alcohols of the cyclohexane series. Part VI. The optically active 3-methylcyclohexanols
A. Killen Macbeth,J. A. Mills J. Chem. Soc. 1947 205
7. Cyclisation of alkoxy radicals. A semiempirical MNDO-PM3 study
Ivan O. Jurani?,Mihailo Lj. Mihailovi?,Milan M. Dabovi? J. Chem. Soc. Perkin Trans. 2 1994 877
8. Predicting dielectric constants of pure liquids: fragment-based Kirkwood–Fr?hlich model applicable over a wide range of polarity
Rémi Bouteloup,Didier Mathieu Phys. Chem. Chem. Phys. 2019 21 11043
9. 724. Conformation and reactivity. Part II. Kinetics of the alkaline hydrolysis of the acetates of the methylcyclohexanols and of related alcohols
N. B. Chapman,R. E. Parker,P. J. A. Smith J. Chem. Soc. 1960 3634
10. Preparative-scale reductions of cyclic ketones and aldehyde substrates of horse liver alcohol dehydrogenase with in situ sodium dithionite recycling of catalytic amounts of NAD
J. Bryan Jones,David W. Sneddon,William Higgins,Arthur J. Lewis J. Chem. Soc. Chem. Commun. 1972 856