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Home Other Building Blocks rel-(1R,2R,4R)-2-Hydroxy-α,α,4-trimethylcyclohexanemethanol

rel-(1R,2R,4R)-2-Hydroxy-α,α,4-trimethylcyclohexanemethanol

CAS No.:
3564-98-5
Catalog Number:
AG0035Q2
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG0035Q2
Chemical Name:
rel-(1R,2R,4R)-2-Hydroxy-α,α,4-trimethylcyclohexanemethanol
CAS Number:
3564-98-5
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00191552
IUPAC Name:
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI:
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChI Key:
LMXFTMYMHGYJEI-IWSPIJDZSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)O)C(O)(C)C
UNII:
AAL436QJ5W
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
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Metabolism of (+)- and (-)-menthols by CYP2A6 in human liver microsomes. Journal of oleo science 20110101
[Personal protection measures against blood-sucking insects and ticks]. Harefuah 20100901
Efficacy and safety of catnip (Nepeta cataria) as a novel filth fly repellent. Medical and veterinary entomology 20090901
Dihydronepetalactones deter feeding activity by mosquitoes, stable flies, and deer ticks. Journal of medical entomology 20090701
Percutaneous absorption of an insect repellent p-menthane-3,8-DIOL: a model for human dermal absorption. Journal of toxicology and environmental health. Part A 20090101
Repellency of oils of lemon eucalyptus, geranium, and lavender and the mosquito repellent MyggA natural to Ixodes ricinus (Acari: Ixodidae) in the laboratory and field. Journal of medical entomology 20060701
Laboratory and field tests of the effectiveness of the lemon-eucalyptus extract, Citridiol, as a repellent against land leeches of the genus Haemadipsa (Haemadipsidae). Annals of tropical medicine and parasitology 20051001
Enhancement effect of p-menthane-3,8-diol on in vitro permeation of antipyrine and indomethacin through Yucatan micropig skin. Drug development and industrial pharmacy 20040701
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay. British journal of pharmacology 20040201
Repellent activities of stereoisomers of p-menthane-3,8-diols against Anopheles gambiae (Diptera: Culicidae). Journal of medical entomology 20020901
Properties