Chemical identity

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

CAS 29790-29-2 · C13H18O2

01Identity

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

Lazychem IDLC-17329
PubChem CID5363876
Name2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
CAS RN29790-29-2
Molecular formulaC13H18O2
Molecular weight206.29 g/mol
IUPAC name(E)-2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one
InChIKeyOBHGOXFSRVNKBS-AATRIKPKSA-N

02Structure identifiers

2D structurePubChem CID 5363876
Two-dimensional chemical structure of 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one, CAS 29790-29-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, 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
SMILESO=C1C(C)=C(/C=C/C(C)=O)C(C)(C)CC1
InChINot listed
Formula from structureC13H18O2
Molecular weight from structure206.29 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 29790-29-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 29790-29-2 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

Ionone

View API and impurity family

Other names

  • Ionone Impurity 1
  • 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

Related records from the same parent family

No related records are linked by parent name.

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