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2050-07-9

2050-07-9 Structure

2050-07-9 Structure
IdentificationBack Directory
[Name]

4-methyl-1-phenylpentan-1-one
[CAS]

2050-07-9
[Synonyms]

Isopentyl(phenyl) ketone
4-methyl-1-phenylpentan-1-one
1-Phenyl-4-methyl-1-pentanone
4-Methyl-1-phenyl-1-pentanone
1-Phenyl-4-methylpentane-1-one
1-Pentanone, 4-methyl-1-phenyl-
[EINECS(EC#)]

218-079-7
[Molecular Formula]

C12H16O
[MDL Number]

MFCD00026524
[MOL File]

2050-07-9.mol
[Molecular Weight]

176.25
Chemical PropertiesBack Directory
[Melting point ]

-1°C
[Boiling point ]

255.5°C (estimate)
[density ]

0.9623
[refractive index ]

1.5330 (estimate)
[solubility ]

soluble in Chloroform
[form ]

Oil
[color ]

Colorless
[InChI]

InChI=1S/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
[InChIKey]

WRJZDDJYWWJLIS-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1)(=O)CCC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard InformationBack Directory
[Uses]

4-Methyl-valerophenone is an intermediate used in the synthesis of a-Pyrrolidinoisohexanophenone (Hydrochloride) (P841230), which is a phenone derivative used for research purposes.
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