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phenylpyruvic acid · CAS 156-06-9 · C9H8O3. UNII X7CO62M413. Melting Point: 154 °C; Solubility: 112 mg/mL.
| CAS Registry Number | 156-06-9 |
|---|---|
| PubChem CID | 997 |
| Molecular formula | C9H8O3 |
| IUPAC name | 2-oxo-3-phenylpropanoic acid |
| UNII (FDA) | X7CO62M413 |
| FEMA number | 3892 |
| JECFA number | 1478 |
| Molecular Weight | 164.16 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.047344113 |
| Monoisotopic Mass | 164.047344113 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Melting Point | 154 °C |
|---|---|
| Solubility | 112 mg/mL |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/152 |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (66.7%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
phenylpyruvic acid; 156-06-9; 2-Oxo-3-phenylpropanoic acid; 3-Phenylpyruvic acid; beta-Phenylpyruvic acid; 3-Phenyl-2-oxopropanoic acid; 2-OXO-3-PHENYLPROPIONIC ACID; keto-phenylpyruvic acid; alpha-ketohydrocinnamic acid; DTXSID1042281; Benzenepropanoic acid, alpha-oxo-; 2-Oxo-3-phenylpropanic acid; CHEBI:30851; X7CO62M413; alpha-oxo-benzenepropanoic acid; DTXCID9022281
CAS 156-06-9; molecular formula C9H8O3; molecular weight — g/mol.
phenylpyruvic acid, 156-06-9, 2-Oxo-3-phenylpropanoic acid, 3-Phenylpyruvic acid, beta-Phenylpyruvic acid, 3-Phenyl-2-oxopropanoic acid.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H315, H319, H335.
Melting Point: 154 °C; Solubility: 112 mg/mL.
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.