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Details

Stereochemistry RACEMIC
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ?-Ionone

SMILES

CC(=O)\C=C\C1C(C)=CCCC1(C)C

InChI

InChIKey=UZFLPKAIBPNNCA-BQYQJAHWSA-N
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

HIDE SMILES / InChI
Molecular Formula C13H20O
Molecular Weight 192.2973
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

2019
334
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:33:36 GMT 2025
Edited
by admin
on Mon Mar 31 19:33:36 GMT 2025
Record UNII
I9V075M61R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-Ionone
FHFI   MI  
Common Name English
ALPHA-IONONE
FCC  
INCI  
Preferred Name English
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (3E)-
Systematic Name English
.ALPHA.-IONONE [FHFI]
Common Name English
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
(E)-(1)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Common Name English
(5E)-IONONE
Common Name English
.ALPHA.-CYCLOCITRYLIDENEACETONE
Common Name English
FEMA NO. 2594
Code English
IONONE, ALPHA-
Common Name English
.ALPHA.-IONONE [MI]
Common Name English
(E)-.ALPHA.-IONONE
Common Name English
(±)-.ALPHA.-IONONE
Common Name English
(E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Systematic Name English
4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Systematic Name English
ALPHA-IONONE [FCC]
Common Name English
(±)-TRANS-.ALPHA.-IONONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ALPHA-IONONE
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
JECFA EVALUATION ALPHA-IONONE
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
EPA PESTICIDE CODE 129030
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
Code System Code Type Description
DAILYMED
I9V075M61R
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-841-6
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
MESH
C011879
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
CHEBI
32319
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
EVMPD
SUB71277
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
CAS
127-41-3
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID0035160
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
SMS_ID
100000135630
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
MERCK INDEX
m6369
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY Merck Index
PUBCHEM
5282108
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
FDA UNII
I9V075M61R
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
HSDB
8268
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
WIKIPEDIA
IONONE
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY The ionones are a series of closely related chemical substances that are part of a group of compounds known as rose ketones, which also includes damascones and damascenones.
JECFA MONOGRAPH
667
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
RXCUI
1859172
Created by admin on Mon Mar 31 19:33:36 GMT 2025 , Edited by admin on Mon Mar 31 19:33:36 GMT 2025
PRIMARY
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NIH
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