Chemical identity

Phenylbutyrate EP Impurity A / 3-Benzoylpropionic acid / Phenylbutyrate Related Compound A

CAS 2051-95-8 · C10H10O3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-25117
PubChem CID72871
NamePhenylbutyrate EP Impurity A / 3-Benzoylpropionic acid / Phenylbutyrate Related Compound A
CAS RN2051-95-8
Molecular formulaC10H10O3
Molecular weight178.2 g/mol
IUPAC name4-Oxo-4-phenylbutanoic acid
InChIKeyKMQLIDDEQAJAGJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 72871
Two-dimensional chemical structure of Phenylbutyrate EP Impurity A / 3-Benzoylpropionic acid / Phenylbutyrate Related Compound A, CAS 2051-95-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C=C1)C(=O)CCC(=O)O
InChINot listed
Formula from structureC10H10O3
Molecular weight from structure178.2 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2051-95-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2051-95-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Phenylbutyrate

View API and impurity family

Other names

  • Phenylbutyrate EP Impurity A
  • 3-Benzoylpropionic acid
  • Phenylbutyrate Related Compound A
  • 2051-95-8
  • 4-Oxo-4-phenylbutanoic acid
  • 4-Oxo-4-phenylbutyric acid
  • 3-Benzoylpropanoic acid
  • beta-Benzoylpropionic acid
  • Benzoylpropionic acid
  • Benzenebutanoic acid, gamma-oxo-
  • Propionic acid, 3-benzoyl-
  • UV05GZ4D9Z

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources