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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4592697Generated: October 23, 2026

3-Phenylpyruvate

2-oxo-3-phenylpropanoate · CAS:122049-54-1 · Sodium phenylpyruvate 1-hydrate · Sodium phenylpyruvate monohydrate · Benzene sodium pyruvate monohydrate · SodiuM 2-oxo-3-phenylpropanoate hydrate · PHENYLPYRUVIC ACID SODIUM SALT MONOHYDRATE · Phenylpyruvic acid, sodium salt monohydrate,98%

https://huagongshe.com/en/chemical/4592697

3-Phenylpyruvate molecular structure

Identifiers & Physical Properties

CAS No.122049-54-1
Molecular formulaC9H7O3-
Average molar mass163.15 g/mol
Monoisotopic mass163.03951908 g/mol
SMILESO=C([O-])C(=O)Cc1ccccc1
InChIKeyBTNMPGBKDVTSJY-UHFFFAOYSA-M
PubChem CID4592697
ChEBICHEBI:18005
DTXSIDDTXSID30924063

Chemical & Physical Properties

XLogP1.9
Topological polar surface area57.2
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms12
Formal charge-1
Complexity175
Melting point>300°C
Storage conditionsInert atmosphere,Room Temperature
Physical stateFine Powder
ColorWhite
SolubilitySoluble in water.
BRN4770978
InChI1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1
InChIKeyBTNMPGBKDVTSJY-UHFFFAOYSA-M
CAS DataBase Reference122049-54-1
UNSPSC Code12352107
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H332-H335
GHS precautionary statementsP280-P305+P351+P338-P310
Safety statements (S)24/25-22
Customs code29183000

Safety & Regulations

Customs code29183000
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)24/25-22
GHS hazard statementsH302-H315-H319-H332-H335
GHS precautionary statementsP280-P305+P351+P338-P310

Applications & Uses

Uses

Sodium phenylpyruvate monohydrate is used as an organic chemical synthesis intermediate.