4-Methyl-1-phenyl-2-pentanone Structure

4-Methyl-1-phenyl-2-pentanone

Chemical Properties

Boiling point 250-251 °C(lit.)
Density  0.949 g/mL at 25 °C(lit.)
refractive index  n20/D 1.498(lit.)
FEMA  2740 | 4-METHYL-1-PHENYL-2-PENTANONE
FLAVIS Number 07.025 | 4-Methyl-1-phenylpentan-2-one
Flash point 221 °F
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  Liquid
color  Colorless to light yellow
Odor at 100.00 %. sweet woody fruity spice burnt sugar
Odor Type woody
biological source synthetic
JECFA Number 828
Major Application flavors and fragrances
InChI 1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey DTYGTEGDVPAKDA-UHFFFAOYSA-N
SMILES CC(C)CC(=O)Cc1ccccc1
LogP 2.85
CAS DataBase Reference 5349-62-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 4-METHYL-1-PHENYL-2-PENTANONE
FDA UNII 2Z1A62342T
NIST Chemistry Reference Benzyl isobutyl ketone(5349-62-2)
EPA Substance Registry System 2-Pentanone, 4-methyl-1-phenyl- (5349-62-2)
UNSPSC Code 12164502
NACRES NA.21
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
WGK Germany  3
TSCA  TSCA listed
HS Code  2914390090
Storage Class 10 - Combustible liquids

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