ChemicalBook--->CAS DataBase List--->928-68-7

928-68-7

928-68-7 Structure

928-68-7 Structure
IdentificationBack Directory
[Name]

6-METHYL-2-HEPTANONE
[CAS]

928-68-7
[Synonyms]

NSC 39665
Isooctan-2-one
iso-Amylacetone
iso-Pentylacetone
6-methyl-2-heptanon
2-Methyl-6-heptanone
Methylisohexylketone
6-METHYL-2-HEPTANONE
6-methylheptan-2-one
2-methylheptan-6-one
6-Methylheptane-2-one
2-Heptanone,6-methyl-
6-methyl-heptan-2-one
iso-Hexylmethylditone
Methyl isohexyl ketone
isohexyl methyl ketone
6-METHYL-2-HEPTANONE 98+%
METHYL 4-METHYLPENTYL KETONE
Methyl isohexyl ketone,isoamylacetone
[EINECS(EC#)]

213-179-7
[Molecular Formula]

C8H16O
[MDL Number]

MFCD00026527
[MOL File]

928-68-7.mol
[Molecular Weight]

128.21
Chemical PropertiesBack Directory
[Melting point ]

-32.24°C (estimate)
[Boiling point ]

171°C
[density ]

0,82 g/cm3
[refractive index ]

1.4110-1.4160
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly))
[form ]

Oil
[color ]

Colourless
[Odor]

camphoreous
[InChI]

1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
[InChIKey]

DPLGXGDPPMLJHN-UHFFFAOYSA-N
[SMILES]

CC(C)CCCC(C)=O
[LogP]

2.350 (est)
[EPA Substance Registry System]

2-Heptanone, 6-methyl- (928-68-7)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
[Hazard Codes ]

Xi
[Risk Statements ]

10-36
[Safety Statements ]

16-26
[RIDADR ]

1224
[WGK Germany ]

WGK 1
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

2914199090
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

6-Methyl-3-hepten-2-one-->Isobutaneboronic acid
[Preparation Products]

1,5-Dimethylhexylamine-->Ethanone, 1-(tetrahydro-5,5-dimethyl-2-furanyl)--->2,6-Heptanediol, 2-methyl--->6 Methyl 3 hepten 2 one-->3,7-Dimethyl-1-octen-3-ol-->5-Methylhexanoic acid-->6-Methyl-2-heptanol-->6-Methyl-5-hepten-2-one
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid. Boiling point 170-171°C (163-164°C), 56°C (2.27 kPa), relative density 0.8151 (20/4°C), refractive index 1.4162. Miscible with many organic solvents.
[Uses]

6-Methyl-2-heptanone is used in the synthesis of antifungal crassinervic acid analogs. Also used in the synthesis of BACE-1 inhibitors in the treatment of Alzheimer’s disease.
[Definition]

ChEBI: 6-Methylheptan-2-one is a ketone.
[Synthesis Reference(s)]

Tetrahedron, 49, p. 8169, 1993 DOI: 10.1016/S0040-4020(01)88036-4
[Synthesis]

6-Methyl-2-heptanone is prepared by controlled hydrogenation of Methylhept en one.
Spectrum DetailBack Directory
[Spectrum Detail]

6-METHYL-2-HEPTANONE(928-68-7)MS
6-METHYL-2-HEPTANONE(928-68-7)1HNMR
6-METHYL-2-HEPTANONE(928-68-7)13CNMR
6-METHYL-2-HEPTANONE(928-68-7)IR1
6-METHYL-2-HEPTANONE(928-68-7)Raman
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