582-62-7

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582-62-7 Structure

Identification	Back Directory
[Name] ISOVALEROPHENONE
[CAS] 582-62-7
[Synonyms] ISOVALEROPHENONE isobutanoylbenzene ISOVALEROPHENONE 98% ISOVALEROPHENONE 98+% ISOVALEROPHENONE 99+% ISOBUTYL PHENYL KETONE 3-methyl-1-phenyl-1-butanon 3-Methyl-1-phenyl-1-butanone 1-Phenyl-3-methyl-1-butanone 1-Phenyl-3-methylbutan-1-one 3-methyl-1-phenylbutan-1-one Isovalerophenone >=98.0% (GC) 3-methyl-1-phenyl-butan-1-one
[EINECS(EC#)] 209-489-7
[Molecular Formula] C11H14O
[MDL Number] MFCD00026486
[MOL File] 582-62-7.mol
[Molecular Weight] 162.23

Chemical Properties	Back Directory
[Melting point ] 225-235 °C
[Boiling point ] 72-74 °C3 mm Hg(lit.)
[density ] 0.966 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.512(lit.)
[Fp ] 99 °C
[storage temp. ] Sealed in dry,Room Temperature
[form ] clear liquid
[color ] Colorless to Light yellow to Light orange
[BRN ] 1861344
[InChI] 1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
[InChIKey] HEOVGVNITGAUKL-UHFFFAOYSA-N
[SMILES] CC(C)CC(=O)c1ccccc1
[LogP] 3.046 (est)
[EPA Substance Registry System] 1-Butanone, 3-methyl-1-phenyl- (582-62-7)

Hazard Information	Back Directory
[Chemical Properties] Colorless to pale yellow liquid
[Definition] ChEBI: 3-Methyl-1-phenyl-1-butanone is an aromatic ketone.
[Production Methods] Isovalerophenone can be produced 1) from iso-Butyl phenylcarbinol by reduction. 2) from Benzonitrile plus iso-Butyl magnesium chloride, followed by hydration.

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-36
[WGK Germany ] 3
[RTECS ] DD8280000
[TSCA ] TSCA listed
[HS Code ] 2914390090
[Storage Class] 10 - Combustible liquids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Spectrum Detail	Back Directory
[Spectrum Detail] ISOVALEROPHENONE(582-62-7)MS ISOVALEROPHENONE(582-62-7)¹HNMR ISOVALEROPHENONE(582-62-7)¹³CNMR ISOVALEROPHENONE(582-62-7)IR1 ISOVALEROPHENONE(582-62-7)Raman

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