U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 .BETA.-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
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

Name Type Language
.BETA.-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
BETA-IONONE
FCC  
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 Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
JECFA EVALUATION BETA-IONONE
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID9025451
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
CAS
79-77-6
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
WIKIPEDIA
IONONE
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
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 Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
238-969-9
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
ALTERNATIVE
HSDB
14901-07-6
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
MERCK INDEX
m6369
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
201-224-3
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
MESH
C008157
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
JECFA MONOGRAPH
342
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
SMS_ID
100000135279
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
NSC
402758
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
PUBCHEM
638014
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
RXCUI
2371702
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
DAILYMED
A7NRR1HLH6
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
CAS
14901-07-6
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
A7NRR1HLH6
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
NSC
46137
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY
CHEBI
32325
Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023
PRIMARY