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W322601

Sigma-Aldrich

1-Phenyl-1,2-propanedione

98%, FG

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Synonym(s):
Acetyl benzoyl
Linear Formula:
C6H5COCOCH3
CAS Number:
579-07-7
Molecular Weight:
148.16
FEMA Number:
3226
EC Number:
209-435-2
Council of Europe no.:
2275
MDL number:
MFCD00008755
UNSPSC Code:
12164502
PubChem Substance ID:
24901567
Flavis number:
7.079
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

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.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

honey; buttery; plastic

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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General description

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

Application


  • A Simplified Kinetic Model for the Enantioselective Hydrogenation of 1-Phenyl-1,2-Propanedione over Ir/TiO(2) in the Presence of a Chiral Additive.: This study presents a simplified kinetic model for the enantioselective hydrogenation of 1-Phenyl-1,2-propanedione, emphasizing its potential in synthetic organic chemistry and catalysis, which could have significant implications for pharmaceutical synthesis and industrial applications (Melián-Cabrera et al., 2022).

  • Moving Towards a Finer Way of Light-Cured Resin-Based Restorative Dental Materials: Recent Advances in Photoinitiating Systems Based on Iodonium Salts.: Although primarily focused on photoinitiating systems for dental materials, this review could indirectly encompass applications of 1-Phenyl-1,2-propanedione in dental photopolymerization processes, suggesting potential for further exploration in dental material enhancements (Topa and Ortyl, 2020).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

183.2 °F

Flash Point(C)

84 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
Luis Felipe J Schneider et al.
Dental materials : official publication of the Academy of Dental Materials, 24(9), 1169-1177 (2008-03-08)
To evaluate the degree of conversion (DC), maximum rate of polymerization (Rpmax), Knoop hardness (KHN) and yellowing (b-value) of resin composites formulated with phenylpropanedione (PPD), camphorquinone (CQ), or CQ/PPD at different concentrations. The hypotheses tested were (i) PPD or CQ/PPD
Igor Busygin et al.
The Journal of organic chemistry, 73(17), 6559-6569 (2008-08-08)
Structures and conformational behavior of several cinchona alkaloid O-ethers in the solid state (X-ray), in solution (NMR and DFT), and in the gas phase (DFT) were investigated. In the crystal, O-phenylcinchonidine adopts the Open(3) conformation similar to cinchonidine, whereas the
Miguel G Neumann et al.
Dental materials : official publication of the Academy of Dental Materials, 22(6), 576-584 (2005-11-18)
To evaluate the efficiency of the photopolymerization of dental resins it is necessary to know to what extent the light emitted by the light curing units is absorbed by the photoinitiators. On the other hand, the efficiency of the absorbed
Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis).
Krizevski R, et al.
Planta Medica, 78(08), 838-842 (2012)
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