1-Phenyl-1,2-propanedione

Base Information

Chemical Name:1-Phenyl-1,2-propanedione
CAS No.:579-07-7
Deprecated CAS:30581-69-2
Molecular Formula:C9H8O2
Molecular Weight:148.161
Hs Code.:29143990
European Community (EC) Number:209-435-2
NSC Number:7643
UNII:ZB5XA3GD0I
DSSTox Substance ID:DTXSID3060372
Nikkaji Number:J95.015G
Wikidata:Q27132685
Metabolomics Workbench ID:46889
ChEMBL ID:CHEMBL192258
Mol file:579-07-7.mol

Synonyms:1-phenyl-1,2-propanedione;pyruvophenone

Suppliers and Price of 1-Phenyl-1,2-propanedione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
1-Phenyl-1-
10mg
$ 446.00

Usbiological
1-Phenyl-1,2-propanedione
10g
$ 359.00

TRC
Pyruvophenone
100g
$ 305.00

TCI Chemical
1-Phenyl-1,2-propanedione >97.0%(GC)
10g
$ 102.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 99%
5g
$ 100.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 98%, FG
100 g
$ 94.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 98%, FG
100g-k
$ 94.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 98%, FG
sample-k
$ 50.00

Sigma-Aldrich
1-Phenyl-1,2-propanedione 99%
1g
$ 31.60

Total 143 raw suppliers

Chemical Property of 1-Phenyl-1,2-propanedione

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.0752mmHg at 25°C
Melting Point:<20oC
Refractive Index:n20/D 1.532(lit.)
Boiling Point:228 °C at 760 mmHg
Flash Point:83.7 °C
PSA：34.14000
Density:1.1 g/cm³
LogP:1.45830
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Chloroform (Soluble), Hexane (Slightly), Methanol (Slightly)
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:148.052429494
Heavy Atom Count:11
Complexity:166

Purity/Quality:

99.0%Min ^*data from raw suppliers

1-Phenyl-1- ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aromatic Ketones
Canonical SMILES:CC(=O)C(=O)C1=CC=CC=C1
Description 1-Phenyl-1,2-propanedione is an alpha-diketone consisting of 1-phenylpropane with keto substituents at positions 1 and 2. It is also known as phenylacetonyl and is an aromatic ketone derived from a hydride of propylbenzene.
Sources Found in coffee and possibly in other plant sources as a metabolite.
Categories Classified as an alpha-diketone and an aromatic ketone.
Uses Dental Composites:
Evaluated for use as a photoinitiator in experimental resin dental composites, showing potential for improved mechanical properties.^[1]

Methamphetamine Precursor
Identified as a precursor of methamphetamine and studied for its degradation products during long-term storage, providing useful information for impurity profiling.^[2]

Hydrogenation Catalyst:
Used in the enantioselective hydrogenation of 1-phenyl-1,2-propanedione over Ir/TiO2 in the presence of a chiral additive, cinchonidine.^[3]
References [1] Evaluation of the Selected Mechanical and Aesthetic Properties of Experimental Resin Dental Composites Containing 1-phenyl-1,2 Propanedione or Phenylbis(2,4,6-trimethylbenzoyl)-phosphine Oxide as a Photoinitiator
DOI 10.3390/ijms24065573
[2] Degradation of 1-phenyl-2-propanone during long-term storage: useful information for methamphetamine impurity profiling
DOI 10.1007/s11419-021-00572-z
[3] A Simplified Kinetic Model for the Enantioselective Hydrogenation of 1-Phenyl-1,2-Propanedione over Ir/TiO2 in the Presence of a Chiral Additive
DOI 10.1021/acs.iecr.1c04375

Technology Process of 1-Phenyl-1,2-propanedione

There total 192 articles about 1-Phenyl-1,2-propanedione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 673-32-5
1-Phenylprop-1-yne

: 579-07-7
1-Phenylpropane-1,2-dione

Guidance literature:: With sodium periodate; sulfuric acid; C₃₁H₂₉Br₂N₃Ru*CH₂Cl₂; In water; acetonitrile; at 25 ℃; for 0.5h; Inert atmosphere; Schlenk technique;
DOI:10.1021/ja5075294