Chemical identity

Benzeneacetic acid, alpha-ethyl-, methyl ester

CAS 2294-71-5 · C11H14O2

01Identity

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

Lazychem IDLC-09044
PubChem CID102780
NameBenzeneacetic acid, alpha-ethyl-, methyl ester
CAS RN2294-71-5
Molecular formulaC11H14O2
Molecular weight178.23 g/mol
IUPAC namemethyl 2-phenylbutanoate
InChIKeyPPIQQNDMGXNRFA-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 102780
Two-dimensional chemical structure of Benzeneacetic acid, alpha-ethyl-, methyl ester, CAS 2294-71-5
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 stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCC(C1=CC=CC=C1)C(=O)OC
InChINot listed
Formula from structureC11H14O2
Molecular weight from structure178.23 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India 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 2294-71-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2294-71-5 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.

05Names and relationships

Associated parent compound

Butamirate

View API and impurity family

Other names

  • Butamirate Impurity 3
  • Benzeneacetic acid, alpha-ethyl-, methyl ester
  • 2294-71-5
  • Methyl alpha-phenylbutyrate
  • EINECS 218-934-4
  • DTXSID70870954
  • RefChem:562921
  • DTXCID90818631
  • Methyl 2-phenylbutanoate
  • Methyl 2-phenylbutyrate
  • Butyric acid, 2-phenyl-, methyl ester
  • methyl alpha-ethylphenylacetate

Related records from the same parent family

06Documented 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.

07Sources