丙酮醛

Description

Pyruvaldehyde is identified by CAS 78-98-8, molecular formula C3H4O2 and molecular weight 72.02 g/mol. UNII 722KLD7415; ChEBI 17158; InChIKey AIJULSRZWUXGPQ-UHFFFAOYSA-N. Boiling Point: 162 °F at 760 mmHg (NTP, 1992); Boiling Point: 72 °C at 760 mm Hg; Boiling Point: 72 °C.

Identification

CAS Registry Number	78-98-8
PubChem CID	880
Molecular formula	C3H4O2
Molecular weight	72.02 g/mol
IUPAC name	2-oxopropanal
InChIKey	AIJULSRZWUXGPQ-UHFFFAOYSA-N
UNII (FDA)	722KLD7415
ChEBI ID	CHEBI:17158
FEMA number	2969
JECFA number	937

Computed Descriptors

Molecular Weight	72.06
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	72.021129366
Monoisotopic Mass	72.021129366
Topological Polar Surface Area	34.1
Heavy Atom Count	5
Formal Charge	0

Physical & Chemical Properties

Boiling Point	162 °F at 760 mmHg (NTP, 1992)
Boiling Point	72 °C at 760 mm Hg
Boiling Point	72 °C
Melting Point	< 25 °C
Density	1.0455 at 24 °C
Density	Density: 1.20 at 20 °C/20 °C
Density	1.041-1.048
Vapor Pressure	26.7 [mmHg]
Refractive Index	1.399-1.406

Physical description & handling notes

• Methylglyoxal is a clear yellow slightly viscous liquid with a pungent odor. Yellowish-green vapors. Faintly acidic to litmus. (NTP, 1992)
• Clear to yellow hygroscopic liquid with a pungent odor; [HSDB]
• Solid
• yellow mobile hygroscopic liquid which polymerizes readily; pungent stinging odour
• Clear, yellow liquid
• Yellow, hygroscopic liquid

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	4% (11 / 274)

GHS Hazard Classification

GHS notification summary	4% (11 / 274)
Reported hazard statements	H290 (39.4%), H302 (96%), H315 (40.1%), H317 (40.5%), H318 (40.5%), H319 (54%), H335 (40.1%), H341 (42.3%)

Documented Uses

• Used in organic synthesis, as a flavoring agent, and in tanning leather; [ChemIDplus]
• Leather Tanning and Processing [Category: Industry]
• Organic synthesis, as of complex chemical compounds such as pyrethrins, tanning leather, flavoring.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Methylglyoxal was demonstrated to be a substrate for the isozymes E1, E2 and E3 of human aldehyde dehydrogenase. Pyruvate was the product from the oxidation of methylglyoxal by the three isozymes. At pH 7.4 and 25 degrees C, the major and minor components of the E3 isozyme catalyzed the reaction with Vmax of 1.1 and 0.8 umol NADH/min and mg protein, respectively, compared to 0.067 and 0.060 umol NADH/min and mg protein for the E1 and E2 isozymes, respectively. The E2 isozyme had a K(m) for methylglyoxal of 8.6 uM,

Synonyms

methylglyoxal; 2-Oxopropanal; pyruvaldehyde; pyruvic aldehyde; 78-98-8; acetylformaldehyde; Acetylformyl; Propanal, 2-oxo-; METHYL GLYOXAL; 2-Ketopropionaldehyde; Propanedione; Propanolone; Pyroracemic aldehyde; 2-Oxopropionaldehyde; Glyoxal, methyl; 1-Ketopropionaldehyde

Frequently Asked Questions

What are the CAS number and molecular formula of Pyruvaldehyde?

CAS 78-98-8; molecular formula C3H4O2; molecular weight 72.02 g/mol.

What other names is Pyruvaldehyde known by?

methylglyoxal, 2-Oxopropanal, pyruvaldehyde, pyruvic aldehyde, 78-98-8, acetylformaldehyde.

What is the regulatory status of Pyruvaldehyde?

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

Is Pyruvaldehyde classified as hazardous?

4% of GHS notifications report no hazard classification (11 of 274).

What are the key physical properties of Pyruvaldehyde?

Boiling Point: 162 °F at 760 mmHg (NTP, 1992); Boiling Point: 72 °C at 760 mm Hg; Boiling Point: 72 °C; Melting Point: < 25 °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.