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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Dehydro-?-ionone

SMILES

CC(=O)\C=C\C1=C(C)C=CCC1(C)C

InChI

InChIKey=UWWCASOGCPOGJP-BQYQJAHWSA-N
InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C13H18O
Molecular Weight 190.2814
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:30:37 GMT 2025
Edited
by admin
on Wed Apr 02 06:30:37 GMT 2025
Record UNII
3QF34T7DB3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Dehydro-?-ionone
Common Name English
Dehydro-?-ionone
Preferred Name English
(E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one
Systematic Name English
?-Ionone, dehydro-
Common Name English
4-(2,6,6-Trimethyl-1,3-cyclohexadienyl)but-3-en-2-one
Systematic Name English
4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one
Systematic Name English
3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5352711
Created by admin on Wed Apr 02 06:30:37 GMT 2025 , Edited by admin on Wed Apr 02 06:30:37 GMT 2025
PRIMARY
CAS
14398-35-7
Created by admin on Wed Apr 02 06:30:37 GMT 2025 , Edited by admin on Wed Apr 02 06:30:37 GMT 2025
ALTERNATIVE
FDA UNII
3QF34T7DB3
Created by admin on Wed Apr 02 06:30:37 GMT 2025 , Edited by admin on Wed Apr 02 06:30:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID60880769
Created by admin on Wed Apr 02 06:30:37 GMT 2025 , Edited by admin on Wed Apr 02 06:30:37 GMT 2025
PRIMARY
CAS
1203-08-3
Created by admin on Wed Apr 02 06:30:37 GMT 2025 , Edited by admin on Wed Apr 02 06:30:37 GMT 2025
PRIMARY