1-苯基-1,2-丙二酮

Description

1-Phenyl-1,2-propanedione is identified by CAS 579-07-7, molecular formula C9H8O2 and molecular weight 148.05 g/mol. UNII ZB5XA3GD0I; ChEBI 63552; InChIKey BVQVLAIMHVDZEL-UHFFFAOYSA-N. Boiling Point: 103.00 to 105.00 °C. @ 14.00 mm Hg; Boiling Point: 103-105 °C (14 mm Hg); Boiling Point: 222 °C @760 [mm Hg].

Identification

CAS Registry Number	579-07-7
PubChem CID	11363
Molecular formula	C9H8O2
Molecular weight	148.05 g/mol
IUPAC name	1-phenylpropane-1,2-dione
InChIKey	BVQVLAIMHVDZEL-UHFFFAOYSA-N
UNII (FDA)	ZB5XA3GD0I
ChEBI ID	CHEBI:63552
FEMA number	3226
JECFA number	833

Computed Descriptors

Molecular Weight	148.16
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	148.052429494
Monoisotopic Mass	148.052429494
Topological Polar Surface Area	34.1
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	103.00 to 105.00 °C. @ 14.00 mm Hg
Boiling Point	103-105 °C (14 mm Hg)
Boiling Point	222 °C @760 [mm Hg]
Melting Point	< 20 °C
Solubility	2.6 mg/mL at 20 °C
Density	1.096-1.116
Density	1.007 @ 20°C/4°C
Refractive Index	1.526-1.536

Physical description & handling notes

• Yellow liquid; [Sigma-Aldrich MSDS]
• Liquid
• yellow oily liquid with a pungent plastic odour
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.8% (11 / 1445)

GHS Hazard Classification

GHS notification summary	0.8% (11 / 1445)
Reported hazard statements	H302 (97.4%), H312 (94.5%), H315 (99.2%), H317 (94.5%), H319 (99.1%), H332 (94.5%), H334 (94.5%), H335 (99.1%)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 1,2-Propanedione, 1-phenyl-: ACTIVE

Synonyms

1-PHENYL-1,2-PROPANEDIONE; 1-Phenylpropane-1,2-dione; 579-07-7; Acetylbenzoyl; Acetyl benzoyl; Benzoylacetyl; Pyruvophenone; 1,2-Propanedione, 1-phenyl-; Methylphenylglyoxal; Benzoyl methyl ketone; Phenylmethyldiketone; Methyl phenyl diketone; 3-Phenyl-2,3-propanedione; Methyl phenyl glyoxal; Phenyl methyl diketone; FEMA No. 3226

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Phenyl-1,2-propanedione?

CAS 579-07-7; molecular formula C9H8O2; molecular weight 148.05 g/mol.

What other names is 1-Phenyl-1,2-propanedione known by?

1-PHENYL-1,2-PROPANEDIONE, 1-Phenylpropane-1,2-dione, 579-07-7, Acetylbenzoyl, Acetyl benzoyl, Benzoylacetyl.

What is the regulatory status of 1-Phenyl-1,2-propanedione?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 1-Phenyl-1,2-propanedione classified as hazardous?

0.8% of GHS notifications report no hazard classification (11 of 1445).

What are the key physical properties of 1-Phenyl-1,2-propanedione?

Boiling Point: 103.00 to 105.00 °C. @ 14.00 mm Hg; Boiling Point: 103-105 °C (14 mm Hg); Boiling Point: 222 °C @760 [mm Hg]; Melting Point: < 20 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.