AG003IIP

5715-23-1 | 3,4-Dimethylcyclohexanol

AG003IIP

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CAS Number	5715-23-1
Catalog Number	AG003IIP(AGN-PC-00HO6Q)
Chemical Name	3,4-Dimethylcyclohexanol
EC Number	227-211-2
IUPAC Name	3,4-dimethylcyclohexan-1-ol
InChI	InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3
InChI Key	ZBAXJUPCYVIBSP-UHFFFAOYSA-N
MDL Number	MFCD00001506
Molecular Formula	C8H16O
Molecular Weight	128.2120
NSC Number	62034
SMILES	OC1CC(C)C(C)CC1
Synonyms	3,4-Dimethylcyclohexanol, 5715-23-1, 3,4-Dimethylcyclohexan-1-ol, Cyclohexanol, 3,4-dimethyl-, ZBAXJUPCYVIBSP-UHFFFAOYSA-N, NSC62034, EINECS 227-211-2, ACMC-20anei, AC1Q2QTB, AC1L3ZL4, AC1Q79V9, SCHEMBL2163356, CHEBI:88852, KS-000016TP, MFCD00001506, NSC-62034, AKOS006228765, MCULE-6171532647, NE35136, TRA-0190229, SC-49456, 3,4-Dimethylcyclohexanol(mixtureofisomers), TC-170001, D0703, FT-0614378, 3,4-Dimethylcyclohexanol (mixture of isomers), I14-60363, Z1718804503, 3,4-DIMETHYLPHENOL, C8-H16-O, CID97960, AR-1E9283, 10602-00-3, 58-86-6,

Complexity	90.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.12g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.215g/mol
Monoisotopic Mass	128.12g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227
Packing Group
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code

Certificate of Analysis

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