AG003OYA

933-48-2 | rac-(1R,5R)-3,3,5-trimethylcyclohexan-1-ol

AG003OYA

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CAS Number	933-48-2
Catalog Number	AG003OYA(AGN-PC-0W2VVM)
Chemical Name	rac-(1R,5R)-3,3,5-trimethylcyclohexan-1-ol
EC Number	213-268-0
IUPAC Name	(1S,5S)-3,3,5-trimethylcyclohexan-1-ol
InChI	InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
InChI Key	BRRVXFOKWJKTGG-SFYZADRCSA-N
MDL Number	MFCD00070479
Molecular Formula	C9H18O
Molecular Weight	142.2386
SMILES	C[C@H]1CC(C)(C)C[C@@H](O)C1
UNII	FDR490W8PP
Synonyms	3,3,5-trimethylcyclohexanol, 3,3,5-trimethylcyclohexanol, (cis)-isomer, 3,3,5-trimethylcyclohexanol, (trans)-isomer, cis-3,3,5-trimethylcyclohexanol, cis-3,3,5-Trimethylcyclohexanol, (1s,5s)-3,3,5-trimethylcyclohexanol, 933-48-2, UNII-FDR490W8PP, (1S,5S)-3,3,5-trimethylcyclohexan-1-ol, EINECS 213-268-0, cis-3,5,5-Trimethylcyclohexan-1-ol, BRN 3193947, FDR490W8PP, Cyclohexanol, 3,3,5-trimethyl-, cis-, Cyclohexanol, 3,3,5-trimethyl-, (1R,5R)-rel-, 3,3,5-Trimethylcyclohexanol, (1S-cis)-, AC1L2RSW, 3,3,5-Trimethylcyclohexanol, cis-(+/-)-, Cyclohexanol, 3,3,5-trimethyl-, (1S,5S)-, EC 213-268-0, 4-06-00-00135 (Beilstein Handbook Reference), AC1Q59S1, SCHEMBL1358694, CTK8B2713, BRRVXFOKWJKTGG-SFYZADRCSA-N, Cis-3,3,5-trimethyl cyclohexanol, (cis) 3,3,5-trimethylcyclohexanol, ZINC1672944, ANW-40026, MFCD00070479, AKOS006346463, NE11170, 3,3,5alpha-Trimethyl-1alpha-cyclohexanol, 54352-41-9, AJ-29283, CJ-27218, LS-57258, TC-128771, Cyclohexanol,3,3,5-trimethyl-, (1R,5R)-rel-, UNII-08CL3G94GH component BRRVXFOKWJKTGG-SFYZADRCSA-N, UNII-3T046ESA4Q component BRRVXFOKWJKTGG-SFYZADRCSA-N, Cyclonol, UNII-3T046ESA4Q, 3T046ESA4Q, C9H18O, KST-1A9263, C9-H18-O, AR-1A1677, CID101921, (1R,5R)-3,3,5-trimethylcyclohexanol, T0874, Ciclohexanol, 3,3,5-trimetil-, (1r,5r)-rel-, cis - 3,5,5 - trimethylcyclohexan - 1 - ol, 99240-68-3,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	142.136g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.242g/mol
Monoisotopic Mass	142.136g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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