W322601

1-Phenyl-1,2-propanedione

98%, FG

• 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

Properties

• 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)

Description

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).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H315,H319,H335
• pcodes: P261 - P264 - P271 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 183.2 °F - closed cup
• flash_point_c: 84 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter