AG0035Q2

3564-98-5 | rel-(1R,2R,4R)-2-Hydroxy-α,α,4-trimethylcyclohexanemethanol

AG0035Q2

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CAS Number	3564-98-5
Catalog Number	AG0035Q2
Chemical Name	rel-(1R,2R,4R)-2-Hydroxy-α,α,4-trimethylcyclohexanemethanol
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
MDL Number	MFCD00191552
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	O[C@H]1[C@@H](CC[C@H](C1)C)C(O)(C)C
UNII	AAL436QJ5W
Synonyms	Menthoglycol, Isopulegol hydrate, trans-p-Menthane-3,8-diol, UNII-AAL436QJ5W, 3564-98-5, (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol, p-MENTHANE-3,8-DIOL, cis-1,3,trans-1,4-, (1R,3R,4R)-p-menthane-3,8-diol, EPA Pesticide Chemical Code 011550, (-)-3,8-p-Menthanediol, AAL436QJ5W, 1beta,3beta,4alpha-p-menthane-3,8-diol, 91739-72-9, 8-hydroxymenthol, (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexanol, (1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol, (1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R,4E)-rel-, (+-)-Isopulegol hydrate, PMD38, AC1L2DGL, ( -)-Isopulegol hydrate, 1,4-menthane-3,8-diol, SCHEMBL80732, GTPL2472, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1R,2R,4E)-, DTXSID5035084, CHEBI:16053, CTK5E8529, LMXFTMYMHGYJEI-IWSPIJDZSA-N, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1-.alpha.,2-.beta.,4-.beta.)-, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R,4R)-, MFCD00191552, ZINC28630750, (+/-)-trans-p-Menthane-3,8-diol, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1R,2R,4R)-, FCH3976558, LMPR0102090063, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)-, 81176-88-7, AJ-83555, CJ-17684, LS-89494, 1beta,3beta,4alpha--p-menthane-3,8-diol, 1beta,3beta,4alpha-para-menthane-3,8-diol, p-Menthane-3,8-diol (cis-1,3,trans-1,4), C02904, 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexan-1-ol, UNII-6T6Z1Z1NC4 component LMXFTMYMHGYJEI-IWSPIJDZSA-N, UNII-EB999AF32A component LMXFTMYMHGYJEI-IWSPIJDZSA-N, (1R,2R,5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYL-CYCLOHEXAN-1-OL, cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R, 4E)-rel, rel-(1R,2R,4R)-2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1- alpha,2-beta,4-beta), Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)- (9CI), p-Menthane-3,8-diol, 7-Hydroxymenthol, UNII-EB999AF32A, D03NZW, EB999AF32A, -2- -5-methyl-cyclohexan-1-ol, CID19100, C10-H20-O2, PMD, Cyclohexanemethanol, 2-hydroxy-a,a,4-trimethyl-, (1R,2R,4R)-,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P264-P280-P305+P351+P338-P337+P313
UN Code

Certificate of Analysis

Lot Number