AG00374X

589-92-4 | 4-Methylcyclohexanone

AG00374X

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CAS Number	589-92-4
Catalog Number	AG00374X(AGN-PC-0JKA2Q)
Chemical Name	4-Methylcyclohexanone
EC Number	209-665-3
FEMA Number	3948
IUPAC Name	4-methylcyclohexan-1-one
InChI	InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI Key	VGVHNLRUAMRIEW-UHFFFAOYSA-N
MDL Number	MFCD00001643
Molecular Formula	C7H12O
Molecular Weight	112.1696
NSC Number	3816
SMILES	CC1CCC(CC1)=O
UNII	0L1R78K79S
Synonyms	4-METHYLCYCLOHEXANONE, 589-92-4, 4-methylcyclohexan-1-one, Cyclohexanone, 4-methyl-, 4-Methyl-1-cyclohexanone, Methyl-4 cyclohexanone-1, p-Methyl cyclohexanone, methycyclohexanone, Metylocykloheksanon, Tetrahydro-p-cresol, UNII-0L1R78K79S, 4-methyl cyclohexanone, Methyl-4 cyclohexanone-1 [French], NSC 3816, EINECS 209-665-3, BRN 0506746, Metylocykloheksanon [Polish], 4-METHYL-CYCLOHEXANONE, CYCLOHEXANONE,4-METHYL, AI3-15916, VGVHNLRUAMRIEW-UHFFFAOYSA-N, 0L1R78K79S, EINECS 215-556-1, MFCD00001643, UN2297, Methylcyclohexanone [UN2297] [Flammable liquid], 4methylcyclohexanone, methyl-cyclohexanone, ACMC-1AVXU, AC1L1XJS, AC1Q2QQC, 4-methylcyclohexane-1-one, 4-Methyl-1-oxocyclohexane, 4-methyl-cyclohexan-1-one, 4-Methylcyclohexanone, 99%, 4-07-00-00044 (Beilstein Handbook Reference), KSC271E7B, SCHEMBL104009, 4-Methylcyclohexanone, >=99%, DTXSID5060435, CTK1H1270, FEMA 3948, NSC3816, ACN-S002653, BCP26110, KS-00000V7H, NSC-3816, ZINC3861284, ANW-33108, BBL013180, STL163959, AKOS000118729, ACN-036217, MCULE-5534475096, PS-5543, RP19070, RTR-020466, TRA-0205797, AJ-46159, AK114311, AN-21521, BC219613, CJ-10929, LS-57333, LS-57336, SC-27685, AB1009831, TR-020466, FT-0619075, M0199, ST24023614, A832099, Methylcyclohexanone [UN2297] [Flammable liquid], I14-9086, J-515780, I14-20909, Z57073963, F0001-1540, InChI=1/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H, null, METHYLCYCLOHEXANONE, Cyclohexanone, methyl-, 4-Methylcyclohexanone, 98%, C7H12O, 4-Methylcyclohexanone, 98% 25g, C7-H12-O, CID11525, 4-Methylcyclohexanone, 98% - 100G 100g, 1331-22-2,

Complexity	86.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

Lot Number