AG00330H

110-03-2 | 2,5-Dimethyl-2,5-Hexanediol

AG00330H

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CAS Number	110-03-2
Catalog Number	AG00330H(AGN-PC-0JK8CE)
Chemical Name	2,5-Dimethyl-2,5-Hexanediol
EC Number	203-731-5
IUPAC Name	2,5-dimethylhexane-2,5-diol
InChI	InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChI Key	ZWNMRZQYWRLGMM-UHFFFAOYSA-N
MDL Number	MFCD00004473
Molecular Formula	C8H18O2
Molecular Weight	146.2273
NSC Number	5595
SMILES	CC(C)(CCC(C)(O)C)O
UNII	3PNB2S8721
Synonyms	2,5-DIMETHYL-2,5-HEXANEDIOL, 110-03-2, 2,5-Dimethylhexane-2,5-diol, 2,5-Hexanediol, 2,5-dimethyl-, UNII-3PNB2S8721, 1,1,4,4-Tetramethyl-1,4-butanediol, 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE, MFCD00004473, 2,5-dimethyl-hexane-2,5-diol, ZWNMRZQYWRLGMM-UHFFFAOYSA-N, 3PNB2S8721, 2,5-Dimethyl-2,5-hexanediol, 97%, Dimethylhexanediol, HSDB 5395, NSC5595, NSC 5595, EINECS 203-731-5, AI3-20685, DSSTox_CID_6830, EC 203-731-5, AC1L1Q3U, AC1Q76MF, DSSTox_RID_78222, DSSTox_GSID_26830, SCHEMBL37987, KSC489M7B, MLS001055396, CHEMBL1476371, DTXSID0026830, CTK3I9670, HMS3039I04, ACMC-209957, ACT07298, NSC-5595, STR04292, ZINC2504411, Tox21_200281, 1,4,4-Tetramethyl-1,4-butanediol, ANW-16121, STK067727, AKOS008967365, MCULE-8506631534, RP21088, TRA0092951, VZ34421, NCGC00090935-01, NCGC00090935-02, NCGC00257835-01, AJ-35983, AK-32837, AN-22584, CAS-110-03-2, L099, SC-16397, SMR000677933, DB-059962, RT-002831, CS-0015308, D1167, FT-0610468, ST24027346, ST45021350, S14-1476, W-108698, Z57147150, 2,5-Dimethyl-2,5-hexanediol, purum, >=97.0% (GC), 2,5-Dimethylhexanediol, 2, 2,5-dimethyl-, 2,5-HEXANEDIOL, C8H18O2, CID8031, AR-1D4458, C8-H18-O2, HEXANE-2,5-DIOL, 2,5-DIMETHYL-, 2',3'-dimethyl-3-(2-thiomethylphenyl)propiophenone, 2,5-Dimethyl-2,5-hexanediol, 99.5% - 100G 100g, 111342-39-3,

Complexity	91.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.131g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.23g/mol
Monoisotopic Mass	146.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number