Basic information
- CAS
20279-43-0- Standard SMILES
CCCOC(=O)C(C)=O- InChIKey
ILPVOWZUBFRIAX-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- Propyl pyruvate
- IUPAC
- propyl 2-oxopropanoate
- English name
- Propyl pyruvate
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
Propyl pyruvate20279-43-0Propanoic acid, 2-oxo-, propyl esterPropyl 2-oxopropionatePyruvic acid, propyl esterFEMA No. 4484UNII-78735J3F5078735J3F50DTXSID50174129RefChem:176519DTXCID7096620ILPVOWZUBFRIAX-UHFFFAOYSA-N
Show more names
Propyl 2,2-dimethylpropanoate
propyl 2-oxopropanoateMFCD24688080pyruvic acid propyl ester2-Oxopropanoic acid propyl estern-propyl pyruvatePROPYL NEOPENTANOATESCHEMBL106813SCHEMBL16671053
Database identifiers
- CAS
20279-43-0- PubChem CID
- 523918
- DTXSID
DTXSID50174129- UNII
- 78735J3F50
- Nikkaji
- J132.333D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.012-1.020 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point168-170 °C
Refractive Index1.406-1.414
Physical DescriptionColourless to pale yellow liquid; Sweet carmelling, floral aroma
Physicochemical properties
- Boiling point
- 169.4 · 169.4±9.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- FEMA
- 4484 · 4484 | PROPYL PYRUVATE
- Odor
- 100 % · at 100.00 %. sweet caramellic floral
- Odor Type
- caramellic
- JECFA Number
- 1946 · 1946
- LogP
- 0.58 · 0.58
- Substances Added to Food (formerly EAFUS)
- PROPYL PYRUVATE
- FDA UNII
- 78735 J3F50 · 78735J3F50
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
32 records
Compound notes
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