AG003FZU

3809-32-3 | 2,5-Dimethylcyclohexanol

AG003FZU

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CAS Number	3809-32-3
Catalog Number	AG003FZU(AGN-PC-0099YL)
Chemical Name	2,5-Dimethylcyclohexanol
EC Number	223-281-3
IUPAC Name	2,5-dimethylcyclohexan-1-ol
InChI	InChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3
InChI Key	RUADGOLRFXTMCY-UHFFFAOYSA-N
MDL Number	MFCD00001504
Molecular Formula	C8H16O
Molecular Weight	128.2120
NSC Number	62033
SMILES	OC1C(C)CCC(C)C1
Synonyms	2,5-Dimethylcyclohexanol, 3809-32-3, 2,5-Dimethylcyclohexan-1-ol, Cyclohexanol, 2,5-dimethyl-, NSC62033, EINECS 223-281-3, ACMC-20aoac, AC1L3ZL2, AC1Q2QR0, AC1Q79VD, SCHEMBL992946, trans-2,5-dimethylcyclohexanol, RUADGOLRFXTMCY-UHFFFAOYSA-N, KS-000014IU, MFCD00001504, NSC-62033, AKOS006229596, TRA0025134, 2,5-Dimethylcyclohexanol(mixtureofisomers), TR-015422, D0704, 2,5-Dimethylcyclohexanol (mixture of isomers), I14-101303, Z2216711768, 2,5-Dimethylcyclohexanol, analytical standard, mixture of isomers, 2,5-DIMETHYLPHENOL, C8-H16-O, CID97959, AR-1D4451, 40129-02-0,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227
Packing Group	Ⅲ
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code	UN 3265

Certificate of Analysis

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