Basic information
- CAS
1113-60-6- Standard SMILES
O=C(O)C(=O)CO- InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N- Molecular formula
- C3H4O4
- Average molar mass
- 104.06 g/mol
- Monoisotopic mass
- 104.01095861
Overview
3-hydroxypyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. It has a role as an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a 2-oxo monocarboxylic acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-hydroxypyruvate.
Names & identifiers
- Preferred name
- Hydroxypyruvic acid
- IUPAC
- 3-hydroxy-2-oxopropanoic acid
- English name
- β-Hydroxypyruvic acid
- Molecular formula
- C3H4O4
- Molecular weight
- 104.06
Names & synonyms
hydroxypyruvic acid3-Hydroxypyruvic acid3-Hydroxy-2-oxopropanoic acid1113-60-6hydroxypyruvatebeta-Hydroxypyruvatebeta-Hydroxypyruvic acid934B2KHY0SFEMA NO. 3843CHEBI:30841DTXSID401495883-HYDROXY-2-OXOPROPIONIC ACID
Show more names
3-Hydroxypyruvateβ-hydroxypyruvic acidhydroxypyruvic aci3-hydroxypyruvicaciβ-hydroxy Pyruvic Acid-Hydroxypyruvic acid3-HYDROXY-2-OXOPROPIONICACIDB-hydroxypyruvic acid free acid
RefChem:147272DTXCID4072079619-885-53-hydroxy-2-oxopropanoate3-Hydroxypyruvic Acid-13C2MFCD00083380OH-pyruvateOH-pyr
Database identifiers
- CAS
1113-60-6- PubChem CID
- 964
- DTXSID
DTXSID40149588- ChEMBL
CHEMBL1230192- ChEBI
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 95.1
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water at 50 g/l at 20�C and white petrolatum at <100 g/kg at 20�C
(in ethanol)
Boiling Point257 °C
Physical Description
Solid
white crystalline powder
Physicochemical properties
- Melting point
- 202 ℃ · 202℃ (ethanol )
- Boiling point
- 252.9 · 252.9±23.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- FEMA
- 3843 · 3843 | 3-HYDROXY-2-OXOPROPIONIC ACID
- FLAVIS Number
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN3261 8/PG 3
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceReported found in blue cheese, provolone cheese, beer and cocoa
Usesβ-Hydroxypyruvic Acid is a metabolite involved in the pathway of carbon in photorespiration. It can also be used to treat fiber.
Upstream & downstream products
Downstream products
Suppliers25 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
銳迪國際科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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