Chemical identity

2-(2-Formylphenoxy)hexanoic acid

CAS 138320-27-1 · C13H16O4

01Identity

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

Lazychem IDLC-05961
PubChem CID17908851
Name2-(2-Formylphenoxy)hexanoic acid
CAS RN138320-27-1
Molecular formulaC13H16O4
Molecular weight236.27 g/mol
IUPAC name2-(2-formyl-phenoxy)-hexanoic acid
InChIKeyBNHZJSWSEINXDJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 17908851
Two-dimensional chemical structure of 2-(2-Formylphenoxy)hexanoic acid, CAS 138320-27-1
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
SMILESCCCCC(C(=O)O)OC1=CC=CC=C1C=O
InChINot listed
Formula from structureC13H16O4
Molecular weight from structure236.27 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 138320-27-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 138320-27-1 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

Amiodarone

View API and impurity family

Other names

  • Amiodarone Impurity 17
  • 2-(2-Formylphenoxy)hexanoic acid
  • 138320-27-1
  • DTXSID20591561
  • RefChem:250690
  • DTXCID10542325
  • MFCD28347596
  • Hexanoic acid, 2-(2-formylphenoxy)-
  • D2XJK7K3JS
  • SCHEMBL6235795
  • CS-M2699
  • AKOS030603226

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