1-Phenylpropane-1,2-dione

Modify Date: 2026-07-03 18:08:42

1-Phenylpropane-1,2-dione Structure
1-Phenylpropane-1,2-dione structure
 Common Name 1-Phenylpropane-1,2-dione
CAS Number 579-07-7 Molecular Weight 148.159
Density 1.1±0.1 g/cm3 Boiling Point 228.0±9.0 °C at 760 mmHg
Molecular Formula C9H8O2 Melting Point <20ºC
MSDS Chinese USA Flash Point 84.4±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Use of 1-Phenylpropane-1,2-dione


1-Phenylpropane-1,2-dione, isolated from young Ephedra sinica Stapf (Ephedraceae), is biosynthetic precursors of the ephedrine alkaloids[1][2].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1-phenyl-1,2-propanedione
Synonym More Synonyms

 1-Phenylpropane-1,2-dione Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description 1-Phenylpropane-1,2-dione, isolated from young Ephedra sinica Stapf (Ephedraceae), is biosynthetic precursors of the ephedrine alkaloids[1][2].
Related Catalog
In Vitro The main active principles of E. sinica are the unique and taxonomically restricted adrenergic agonists phenylpropylamino alkaloids, also known as the ephedrine alkaloids[1].
References

[1]. Raz Krizevski, et al. Composition and Stereochemistry of Ephedrine Alkaloids Accumulation in Ephedra Sinica Stapf. Phytochemistry. 2010 Jun;71(8-9):895-903.

[2]. Raz Krizevski, et al. Benzaldehyde Is a Precursor of Phenylpropylamino Alkaloids as Revealed by Targeted Metabolic Profiling and Comparative Biochemical Analyses in Ephedra Spp. Phytochemistry. 2012 Sep;81:71-9.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.1±0.1 g/cm3
Boiling Point 228.0±9.0 °C at 760 mmHg
Melting Point <20ºC
Molecular Formula C9H8O2
Molecular Weight 148.159
Flash Point 84.4±0.0 °C
Exact Mass 148.052429
PSA 34.14000
LogP 0.82
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.520
InChIKey BVQVLAIMHVDZEL-UHFFFAOYSA-N
SMILES CC(=O)C(=O)c1ccccc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
WGK Germany 3
HS Code 2914399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914399090
Summary 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Articles23

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

J. Med. Chem. 48 , 2906-15, (2005)

Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of ...

Influence of composition on rate of polymerization contraction of light-curing resin composites.

Acta Odontol. Scand. 60(3) , 146-50, (2002)

A slow contraction may result in reduced gap formation when a restorative resin polymerizes in a dental cavity. It was the aim in the present work to investigate the rate of contraction in relation to...

Inhibition of the reconstituted mitochondrial oxoglutarate carrier by arginine-specific reagents.

Arch. Biochem. Biophys. 331(1) , 48-54, (1996)

The effect of arginine-specific reagents on the function of the purified and reconstituted oxoglutarate carrier protein of the inner mitochondrial membrane has been investigated. The alpha-dicarbonyl ...

 1-Phenylpropane-1,2-dioneBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
Name: Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substr...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL1816213
Name: Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophe...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL839684
Name: Enzyme Inhibition Assay from Article 10.1021/jm049011j: "Identification and character...
Source: BindingDB
Target: N/A
External Id: BindingDB_2621_1
Name: Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816212
Name: Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl ace...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828256
Name: Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocho...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL828255
Name: Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816214
Name: Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl a...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828284
Name: Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by sp...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL1816217
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1-phenylpropane-1,2-dione
MFCD00008755
EINECS 209-435-2
1-Phenyl-1,2-propanedione
1-phenyl-1,2-propandione

 1-Phenylpropane-1,2-dione | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 1-phenyl-1,2-propanedione?
A: Related upstream materials(CAS) of 1-phenyl-1,2-propanedione: 93-55-0;673-32-5;119-51-7;103-79-7;25355-34-4;97674-02-7;98-88-4;1817-57-8;873-66-5.
Q: What is the polar surface area (PSA) of 1-phenyl-1,2-propanedione?
A: Polar surface area (PSA) of 1-phenyl-1,2-propanedione is 34.14000.
Q: What are the downstream products of 1-phenyl-1,2-propanedione?
A: Related downstream products(CAS) of 1-phenyl-1,2-propanedione: 104509-50-4;492-41-1;5650-44-2;103-65-1;93-55-0;698-87-3;93-54-9;1855-09-0;90-63-1;5650-40-8.
Q: What is the English name of 1-phenyl-1,2-propanedione?
A: The English name of 1-phenyl-1,2-propanedione is 1-phenyl-1,2-propanedione.
Q: What is the CAS number of 1-phenyl-1,2-propanedione?
A: CAS number of 1-phenyl-1,2-propanedione is 579-07-7.
Q: What is the molecular formula of 1-phenyl-1,2-propanedione?
A: Molecular formula of 1-phenyl-1,2-propanedione is C9H8O2.
Q: What is the SMILES notation of 1-phenyl-1,2-propanedione?
A: SMILES notation of 1-phenyl-1,2-propanedione is CC(=O)C(=O)c1ccccc1.
Q: What is the InChIKey of 1-phenyl-1,2-propanedione?
A: InChIKey of 1-phenyl-1,2-propanedione is BVQVLAIMHVDZEL-UHFFFAOYSA-N.
Q: What English synonyms does 1-phenyl-1,2-propanedione have?
A: English synonyms of 1-phenyl-1,2-propanedione: 1-phenylpropane-1,2-dione, MFCD00008755, EINECS 209-435-2, 1-Phenyl-1,2-propanedione, 1-phenyl-1,2-propandione.
Q: What is the melting point of 1-phenyl-1,2-propanedione?
A: Melting point of 1-phenyl-1,2-propanedione is <20ºC.

 1-Phenylpropane-1,2-dionefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides 1-Phenylpropane-1,2-dione(CAS#:579-07-7) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 1-Phenylpropane-1,2-dione are included as well.>> amp version: 1-Phenylpropane-1,2-dione

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