AG003NAO

928-68-7 | 6-Methylheptan-2-one

AG003NAO

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CAS Number	928-68-7
Catalog Number	AG003NAO(AGN-PC-0WAKMU)
Chemical Name	6-Methylheptan-2-one
EC Number	213-179-7
IUPAC Name	6-methylheptan-2-one
InChI	InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChI Key	DPLGXGDPPMLJHN-UHFFFAOYSA-N
MDL Number	MFCD00026527
Molecular Formula	C8H16O
Molecular Weight	128.2120
NSC Number	39665
SMILES	CC(CCCC(C)C)=O
Synonyms	2-methyl-6-heptanone, 6-methyl-2-heptanone, 6-Methylheptan-2-one, 6-METHYL-2-HEPTANONE, 928-68-7, 2-Heptanone, 6-methyl-, 2-Methyl-6-heptanone, Methyl 4-Methylpentyl Ketone, UNII-N203Q7UI56, 6-methyl-heptan-2-one, DPLGXGDPPMLJHN-UHFFFAOYSA-N, N203Q7UI56, 2-Isooctanone, NSC39665, EINECS 213-179-7, NSC 39665, Methyl isohexyl ketone, 6-Methyl 2-heptanone, 6-METHYLHEPTANONE, ACMC-209ri4, Methyl 4-methylpentyl ketone|, SCHEMBL130602, AC1L220C, DTXSID7061302, CTK3I7994, DPLGXGDPPMLJHN-UHFFFAOYSA-, 6-Methyl-2-heptanone, AldrichCPR, ZINC1671497, 5697AC, ANW-39914, LMFA12000041, MFCD00026527, NSC-39665, AKOS009157571, MCULE-7256575819, NE19956, KS-000016K6, AJ-29215, AB1008387, TR-033116, FT-0621212, M0700, W-109100, InChI=1/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3, Methyl-2-heptanone, 6-, C8H16O, C8-H16-O, CID13572,

Complexity	84.6
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	0
Isotope Atom Count	0
Molecular Weight	128.215g/mol
Monoisotopic Mass	128.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H226-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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