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W322601

Sigma-Aldrich

1-Phenyl-1,2-propanedione

98%, FG

Synonyme(s) :

Acetyl benzoyl

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About This Item

Formule linéaire :
C6H5COCOCH3
Numéro CAS:
579-07-7
Poids moléculaire :
148.16
Numéro FEMA:
3226
Numéro CE :
209-435-2
Conseil de l'Europe Nº :
2275
Numéro MDL:
MFCD00008755
Code UNSPSC :
12164502
ID de substance PubChem :
24901567
Numéro Flavis :
7.079
Nomenclature NACRES :
NA.21

Source biologique

synthetic

Niveau de qualité

400

Qualité

FG
Fragrance grade
Halal
Kosher

Agence

follows IFRA guidelines
meets purity specifications of JECFA

Conformité réglementaire

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

Pureté

98%

Indice de réfraction

n20/D 1.532 (lit.)

Point d'ébullition

103-105 °C/14 mmHg (lit.)

Densité

1.101 g/mL at 25 °C (lit.)

Application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

Allergène alimentaire

no known allergens

Allergène de parfum

no known allergens

Propriétés organoleptiques

honey; buttery; plastic

Chaîne SMILES 

CC(=O)C(=O)c1ccccc1

InChI

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

Clé InChI

BVQVLAIMHVDZEL-UHFFFAOYSA-N

Informations sur le gène

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

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Catégories apparentées

Description générale

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).

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H302,H315,H319,H335

Classification des risques

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

Organes cibles

Respiratory system

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

183.2 °F - closed cup

Point d'éclair (°C)

84 °C - closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificats d'analyse (COA)

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Naturally occurring norephedrine oxazolidine derivatives in khat (Catha edulis).
Krizevski R, et al.
Planta Medica, 78(08), 838-842 (2012)
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
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
Walter F Schroeder et al.
Dental materials : official publication of the Academy of Dental Materials, 24(5), 686-693 (2007-09-07)
The present study was carried out in order to assess the suitability of N,N-dimethylaminobenzyl alcohol (DMOH) as co-initiator of camphorquinone (CQ) and 1-phenyl-1,2-propanedione (PPD) in light-cured dental resins. DMOH was synthesized and used as co-initiator for the photopolymerization of a
Susy Lopes et al.
The journal of physical chemistry. A, 109(25), 5560-5570 (2006-07-13)
1-Phenyl-1,2-propanedione has been isolated in low-temperature xenon matrixes and studied by FTIR spectroscopy, supported by DFT(B3LYP)/6-311++G(d,p) calculations. In good agreement with previous electron diffraction data [Shen, Q.; Hagen, K. J. Phys. Chem. 1993, 97, 985], the calculations predicted the existence
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