AG000HFP

116-02-9 | Cyclohexanol, 3,3,5-trimethyl-

AG000HFP

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CAS Number	116-02-9
Catalog Number	AG000HFP(AGN-PC-0JK8GW)
Chemical Name	Cyclohexanol, 3,3,5-trimethyl-
FEMA Number	3962
IUPAC Name	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
InChI Key	BRRVXFOKWJKTGG-UHFFFAOYSA-N
MDL Number	MFCD00019378
Molecular Formula	C9H18O
Molecular Weight	142.2386
NSC Number	4008
SMILES	OC1CC(C)(C)CC(C)C1
Synonyms	3,3,5-trimethylcyclohexanol, 3,3,5-trimethylcyclohexanol, (cis)-isomer, 3,3,5-trimethylcyclohexanol, (trans)-isomer, cis-3,3,5-trimethylcyclohexanol, 3,3,5-TRIMETHYLCYCLOHEXANOL, 116-02-9, Cyclonol, Homomenthol, 3,3,5-trimethylcyclohexan-1-ol, Cyclohexanol, 3,3,5-trimethyl-, Isophorol, dihydro-, Trimethylcyclohexanol, dihydroisophorol, 3,3,5-Trimethyl-1-cyclohexanol, 3,5,5-Trimethylcyclohexanol, 1-Methyl-3-dimethylcyclohexanol-5, cis-3,3,5-Trimethylcyclohexanol, NSC 4008, HSDB 2039, EINECS 204-122-7, trans-3,5,5-Trimethylcyclohexan-1-ol, BRN 2203314, 3,3,5-Trimethyl cyclohexanol, 3,3,5-Trimethyl-cyclohexanol, AI3-01646, CHEBI:59065, BRRVXFOKWJKTGG-UHFFFAOYSA-N, Cyclohexanol, 3,3,5-trimethyl-, (1R,5S)-rel-, NCGC00160581-01, DSSTox_CID_21815, DSSTox_RID_79851, DSSTox_GSID_41815, 767-54-4, 933-48-2, 3,3,5-Trimethylcyclohexanol (cis- and trans- mixture), trans-3,3,5-Trimethylcyclohexanol, CAS-116-02-9, Cyclohexanol, 3,3,5-trimethyl-, (1R,5R)-rel-, Dihydro-Isophorol, EINECS 212-183-6, AC1L1QOZ, AC1Q2QNQ, AC1Q2QNR, 3,5-Trimethylcyclohexanol, ACMC-209p5t, ACMC-209rl8, AC1Q79VJ, ACMC-1C9B3, Cyclohexanol,3,5-trimethyl-, 3-06-00-00115 (Beilstein Handbook Reference), SCHEMBL113337, 3,5-Trimethyl-1-cyclohexanol, Jsp001151, CHEMBL3186608, DTXSID9041815, CTK5E3387, FEMA 3962, KS-00000NCB, NSC4008, 3,3,5-Trimethyl-cis-Cyclohexanol, 3,3,5-trimethyl-cyclohexan-1-ol, NSC-4008, 3,3,5-Trimethyl-trans-Cyclohexanol, Tox21_111915, Tox21_301500, WLN: L6TJ A1 A1 CQ E1, 3,3,5-Trimethylcyclohexanol (c,t), 3,3,5-Trimethylcyclohexanol,cAMP t, ANW-41899, BBL027854, MFCD00019378, STK709217, AKOS000249479, AKOS016844021, MCULE-2215850210, NE10794, TRA0030280, VZ25377, NCGC00255548-01, AK117244, AN-22263, AN-22754, AS-15521, LS-57257, P709, TC-130644, FT-0614016, ST24041094, ST50409674, 3,3,5-Trimethyl-(1R,5S)-rel-Cyclohexanol, EN300-18641, 89687-EP2287158A1, 89687-EP2305033A1, Cyclohexanol,3,3,5-trimethyl-, (1R,5S)-rel-, W-108586, I14-17905, I14-21458, Z87001740, F8889-6309, cis-3,3,5-Trimethylcyclohexanol (contains ca. 6 % trans- isomer), UNII-08CL3G94GH, C9H18O, 3,3,5-Trimthylcyclohexanol, UNII-3T046ESA4Q, 3,3,5-trimethylcyclohexanyl, 3,5,5-trimethyl cyclohexanol, 08CL3G94GH, 3,3,5 - trimethylcyclohexanol, CID8298, C9-H18-O, EINECS 213-268-0, AR-1E8434, cis-3,5,5-Trimethylcyclohexan-1-ol, Cyclohexanol, 3,3,5-trimethyl-, trans-, BRN 3193947, Cyclohexanol, 3,3,5-trimethyl-, cis-, 3,3,5-Trimethylcyclohexanol, cis-(+/-)-, T0472, T2693, EC 213-268-0, Ciclohexanol, 3,3,5-trimetil-, (1r,5r)-rel-, cis - 3,5,5 - trimethylcyclohexan - 1 - ol, 4-06-00-00135 (Beilstein Handbook Reference), TMC, 80994-63-4,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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