ChemicalBook--->CAS DataBase List--->579-07-7

579-07-7

579-07-7 Structure

579-07-7 Structure
IdentificationMore
[Name]

1-Phenyl-1,2-propanedione
[CAS]

579-07-7
[Synonyms]

1-PHENYL-1,2-PROPANEDIONE
ACETYLBENZOYL
FEMA 3226
1-phenyl-2-propanedione
1-phenyl-propane-1,2-dione
2-Propanedione,1-phenyl-1
3-Phenyl-2,3-propanedione
Benzoyl methyl ketone
Benzoylacetyl
Methyl phenyl diketone
Methylphenylglyoxal
Phenylmethyldiketone
Pyruvophenone
1-PHENYL-1 2-PROPANEDIONE 98+%
Phenyl-1,2-propanedione
1,2-Propanedione, 1-phenyl-
1-Phenyl-1,2-propaned
1-PHENYL-1,2-PROPANEDIONE 98%
Phenyl-1,2-propanedione, 1-
Acetyl Benzoyl, (3-Phenyl-2,3 Propanedione)
[EINECS(EC#)]

209-435-2
[Molecular Formula]

C9H8O2
[MDL Number]

MFCD00008755
[Molecular Weight]

148.16
[MOL File]

579-07-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

<20 °C
[Boiling point ]

103-105 °C/14 mmHg (lit.)
[density ]

1.101 g/mL at 25 °C(lit.)
[FEMA ]

3226
[refractive index ]

n20/D 1.532(lit.)
[Fp ]

184 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Soluble), Hexane (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear yellow
[Odor]

at 10.00 % in propylene glycol. plastic buttery honey
[biological source]

synthetic
[Odor Type]

plastic
[JECFA Number]

833
[Major Application]

flavors and fragrances
[InChI]

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

BVQVLAIMHVDZEL-UHFFFAOYSA-N
[SMILES]

CC(=O)C(=O)c1ccccc1
[LogP]

0.82
[CAS DataBase Reference]

579-07-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Propanedione, 1-phenyl-(579-07-7)
[EPA Substance Registry System]

579-07-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1224
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29143990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Phenyl-1,2-propanedione(579-07-7).msds
Hazard InformationBack Directory
[Chemical Properties]

1-Phenyl-1,2-propanedione has a pungent, plastic odor.
[Chemical Properties]

clear yellow liquid
[Occurrence]

Reported found as a constituent in coffee, baked potato and butter.
[Uses]

Pyruvophenone was used in the synthesis of opioid receptor agonists for gastrointestinal disorders. The enantioselective hydrogenation of Pyruvophenone over Pt colloids was also studied.
[Definition]

ChEBI: An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.
[Aroma threshold values]

Aroma characteristics at 1.0%: creamy, buttery, fatty, slightly vanillalike, slightly walnut nutty, almond and marzipanlike with a woody styraxlike nuance, and having a slightly sour yeasty and fermented nuance.
[Taste threshold values]

Taste characteristics at 5 ppm: cultured creamy, dairylike and slightly astringent with a slight spicy caraway/ cumin nuance.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 36, p. 3553, 1971 DOI: 10.1021/jo00822a019
[General Description]

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

By oxidation of propiophenone or benzyl methyl ketone with selenium dioxide; by the acid hydrolysis of oximonopropiophenone or other synthetic routes.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

1-Phenyl-1,2-propanedione(579-07-7)MS
1-Phenyl-1,2-propanedione(579-07-7)1HNMR
1-Phenyl-1,2-propanedione(579-07-7)13CNMR
1-Phenyl-1,2-propanedione(579-07-7)IR1
1-Phenyl-1,2-propanedione(579-07-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Phenyl-1,2-propanedione, 98%(579-07-7)
[Sigma Aldrich]

579-07-7(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-1,2-propanedione,>97.0%(GC)(579-07-7)
579-07-7 suppliers list
Company Name: Hubei Bojie Biotechnology Co., Ltd  Gold
Telephone: 0713-2060728 15629612610
Website: https://www.chemicalbook.com/ShowSupplierProductsList1025854/0_EN.htm
Company Name: Shanghai Yaoling Pharmaceutical Technology Partnership (Limited Partnership)  Gold
Telephone: 400-6181121 18616383988
Website: www.chemicalbook.com/supplier/161420233/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Company Name: Shijiazhuang Lida Chemical Co., Ltd.  
Telephone: +86 (311) 8573-7996
Website: www.lid-ff.cn
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Sinopharm Chemical Reagent Co,Ltd.  
Telephone: 86-21-63210123
Website: www.reagent.com.cn
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Aemon Chemical  
Telephone: 0086-755-86198205
Website: www.aemonchem.com
Tags:579-07-7 Related Product Information
108-59-8 141-82-2 105-53-3 886-38-4 35578-47-3 93-55-0 103-82-2 134-81-6 22711-23-5 82-86-0 1226-42-2 524-42-5 3457-48-5 1469-94-9 521-24-4 93-91-4 3363-97-1 84-11-7