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7307-03-1

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7307-03-1 Structure

7307-03-1 Structure
IdentificationBack Directory
[Name]

4-HEXEN-3-ONE,5-HYDROXY
[CAS]

7307-03-1
[Synonyms]

Nsc128130
NSC 78668
Isobutyrylacetone
4-HEXEN-3-ONE,5-HYDROXY
5-Methyl-2,4-hexanedione (enol)
5-Methylhexane-2,4-dione, keto form
5-methyl-2,4-hexanedione(SALTDATA: FREE)
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD00511093
[MOL File]

7307-03-1.mol
[Molecular Weight]

128.17
Chemical PropertiesBack Directory
[Boiling point ]

176℃
[density ]

0.924
[refractive index ]

1.453
[Fp ]

60℃
[form ]

solid
[pka]

9.63±0.10(Predicted)
[InChI]

1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
[InChIKey]

KHZGUWAFFHXZLC-UHFFFAOYSA-N
[SMILES]

CC(C)C(=O)CC(C)=O
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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