ChemicalBook--->CAS DataBase List--->2955-65-9

2955-65-9

2955-65-9 Structure

2955-65-9 Structure
IdentificationBack Directory
[Name]

3,6-OCTANDIONE
[CAS]

2955-65-9
[Synonyms]

AT-31115
3,6-OCTANDIONE
3,6-octanedione
OCTANE-3,6-DIONE
[EINECS(EC#)]

922-430-6
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD03093028
[MOL File]

2955-65-9.mol
[Molecular Weight]

142.2
Chemical PropertiesBack Directory
[Melting point ]

34-36℃
[Boiling point ]

227℃
[density ]

0.918
[refractive index ]

1.4559 (estimate)
[Fp ]

82℃
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[color ]

White to Pale Yellow
[InChI]

InChI=1S/C8H14O2/c1-3-7(9)5-6-8(10)4-2/h3-6H2,1-2H3
[InChIKey]

CVZGUJMLZZTPKH-UHFFFAOYSA-N
[SMILES]

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

0.928 (est)
[EPA Substance Registry System]

3,6-Octanedione (2955-65-9)
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Low Melting Solid
[Uses]

It is involved in enzymic stereoselective reduction of diketones into chiral diols
[Uses]

It is involved in enzymic stereoselective reduction of diketones into chiral diols.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 97, p. 2912, 1975 DOI: 10.1021/ja00843a057
Spectrum DetailBack Directory
[Spectrum Detail]

3,6-OCTANDIONE(2955-65-9)1HNMR
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