ChemicalBook--->CAS DataBase List--->3002-23-1

3002-23-1

3002-23-1 Structure

3002-23-1 Structure
IdentificationMore
[Name]

6-METHYL-2,4-HEPTANEDIONE
[CAS]

3002-23-1
[Synonyms]

6-METHYL-2,4-HEPTANEDIONE
6-METHYLHEPTANE-2,4-DIONE
AKOS MSC-0372
ISOVALERYLACETONE
4-Heptanedione,6-methyl-2
6-methyl-4-heptanedione
6-Methylheptan-2,4-dione
2,4-Heptanedione, 6-methyl-
6-METHYLHEPTANE-2,4-DIONE, 98+%
[EINECS(EC#)]

221-093-6
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD00008939
[Molecular Weight]

142.2
[MOL File]

3002-23-1.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to pale yellow liquid
[Melting point ]

25°C
[Boiling point ]

73 °C (18 mmHg)
[density ]

0.92 g/mL at 25 °C(lit.)
[refractive index ]

1.455-1.4577
[Fp ]

58 °C
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

9.23±0.10(Predicted)
[color ]

yellow
[Specific Gravity]

0.92
[Water Solubility ]

It is insoluble in water.
[BRN ]

1751122
[InChI]

1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
[InChIKey]

IGMOYJSFRIASIE-UHFFFAOYSA-N
[SMILES]

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

1.642 (est)
[CAS DataBase Reference]

3002-23-1(CAS DataBase Reference)
[EPA Substance Registry System]

2,4-Heptanedione, 6-methyl- (3002-23-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29141990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to pale yellow liquid
[Uses]

6-Methylheptane-2,4-dione, is used as a multipurpose intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceutical industry
[Definition]

ChEBI: 6-Methylheptan-2,4-dione is a beta-diketone.
Spectrum DetailBack Directory
[Spectrum Detail]

6-METHYL-2,4-HEPTANEDIONE(3002-23-1)MS
6-METHYL-2,4-HEPTANEDIONE(3002-23-1)1HNMR
6-METHYL-2,4-HEPTANEDIONE(3002-23-1)13CNMR
6-METHYL-2,4-HEPTANEDIONE(3002-23-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Methyl-2,4-heptanedione, 98%(3002-23-1)
[Alfa Aesar]

6-Methylheptane-2,4-dione, 98+%(3002-23-1)
[Sigma Aldrich]

3002-23-1(sigmaaldrich)
[TCI AMERICA]

6-Methyl-2,4-heptanedione,>97.0%(GC)(3002-23-1)
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