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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ?-Ionone

SMILES

CC(=O)\C=C\C1=C(C)CCCC1(C)C

InChI

InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

HIDE SMILES / InChI
Molecular Formula C13H20O
Molecular Weight 192.2973
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

β-ionone shown to be a key intermediate in the synthesis of vitamin A. Can be isolated from the volatile oil of Boronia megastigma Nees, Rutaceae or by condensing citral with acetone. From animal experiments it can be concluded that β¬-ionone is absorbed after oral exposure. Metabolism takes place mainly in the liver. ¬ β-Ionone has only low acute toxicity after oral ingestion. The substance naturally occurs as a biogenic volatile organic compound and shows a ubiquitous occurrence in the air due to emissions from plants or surface waters.

Approval Year

2020
691
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:34:14 GMT 2025
Edited
by admin
on Mon Mar 31 17:34:14 GMT 2025
Record UNII
A7NRR1HLH6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETA-IONONE
FCC  
Preferred Name English
?-Ionone
FHFI   MI  
Common Name English
(E)-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Systematic Name English
TRANS-.BETA.-IONONE
Common Name English
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (3E)-
Systematic Name English
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
.BETA.-IONONE [MI]
Common Name English
NSC-46137
Code English
IONONE, .BETA.-
Common Name English
4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Systematic Name English
BETA-IONONE [FCC]
Common Name English
NSC-402758
Code English
FEMA NO. 2595
Code English
(E)-.BETA.-IONONE
Common Name English
.BETA.-IONONE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BETA-IONONE
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
JECFA EVALUATION BETA-IONONE
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
Code System Code Type Description
CAS
79-77-6
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
WIKIPEDIA
IONONE
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 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.
EVMPD
SUB70211
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
ECHA (EC/EINECS)
238-969-9
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
ALTERNATIVE
HSDB
14901-07-6
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
MERCK INDEX
m6369
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
201-224-3
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID4021769
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
MESH
C008157
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
JECFA MONOGRAPH
342
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
SMS_ID
100000135279
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
NSC
402758
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
PUBCHEM
638014
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
RXCUI
2371702
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
DAILYMED
A7NRR1HLH6
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
CAS
14901-07-6
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
A7NRR1HLH6
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
NSC
46137
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
CHEBI
32325
Created by admin on Mon Mar 31 17:34:14 GMT 2025 , Edited by admin on Mon Mar 31 17:34:14 GMT 2025
PRIMARY
Related Record Type Details
CALENDULA OFFICINALIS FLOWER
PARENT -> CONSTITUENT ALWAYS PRESENT
Calendula officinalis flower volatile oil constituent.
NIH
NCATS
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