W322601

Sigma-Aldrich

1-Phenyl-1,2-propanedione

98%, FG

Synonym(s):
Acetyl benzoyl
Linear Formula:
C6H5COCOCH3
CAS Number:
Molecular Weight:
148.16
FEMA Number:
3226
EC Number:
Council of Europe no.:
2275
MDL number:
PubChem Substance ID:
Flavis number:
7.079
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

98%

refractive index

n20/D 1.532 (lit.)

bp

103-105 °C/14 mmHg (lit.)

density

1.101 g/mL at 25 °C (lit.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

honey; buttery; plastic

food allergen

no known allergens

fragrance allergen

no known allergens

SMILES string

CC(=O)C(=O)c1ccccc1

InChI

1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3

InChI key

BVQVLAIMHVDZEL-UHFFFAOYSA-N

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

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Related Categories

General description

1-Phenyl-1,2-propanedione is a volatile flavor compound found in khat leaves and cambará honey.

Other Notes

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

WGK Germany

WGK 3

Flash Point(F)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

Investigation of the aroma compounds from headspace and aqueous solution from the cambara (Gochnatia Velutina) honey
Moreira RFA & De Maria CAB.
Flavour and Fragrance Journal, 20(1), 13-17 (2005)
Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis).
Krizevski R, et al.
Planta Medica, 78(08), 838-842 (2012)
Marcello G Trevisan et al.
Talanta, 75(4), 1021-1027 (2008-07-01)
Fourier transform mid-infrared spectroscopy (FT-MIR) coupled with a homemade attenuated total reflectance (ATR) flow-cell was used for on-line monitoring of a biotransformation reaction. The reaction was also monitored off-line by gas chromatography-mass spectrometry (GC-MS) enabling to establish a multivariate model...
Hiroyuki Arikawa et al.
Dental materials journal, 28(4), 454-460 (2009-09-02)
The purpose of this study was to investigate effects of various visible light photoinitiators on the polymerization efficiency and color of the light-activated resins. Four photoinitiators, including camphorquinone, phenylpropanedione, monoacrylphosphine oxide (TPO), and bisacrylphosphine oxide (Ir819), were used. Each photoinitiator...
B Toukoniitty et al.
Ultrasonics sonochemistry, 13(1), 68-75 (2005-10-15)
The enantioselective hydrogenation of 1-phenyl-1,2-propanedione was carried out over Pt/Al2O3, Pt/SiO2, Pt/SF (silica fiber), Pt/C catalysts modified with cinchonidine under ultrasonic irradiation. The initial rate, regioselectivity and enantioselectivity were investigated for different catalyst pretreatments, solvents and ultrasonic powers. The ultrasound...

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