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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL-.ALPHA.-IONONE

SMILES

CCC(=O)\C=C\[C@H]1C(C)=CCCC1(C)C

InChI

InChIKey=VPKMGDRERYMTJX-XEHSLEBBSA-N
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

2018
436
Name Type Language
METHYL-.ALPHA.-IONONE
FHFI  
Common Name English
.ALPHA.-CYCLOCITRYLIDENE METHYL ETHYL KETONE
Common Name English
1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (R-(E))-
Common Name English
METHYL-.ALPHA.-IONONE [FHFI]
Common Name English
.ALPHA.-CYCLOCITRYLIDENE BUTANONE
Common Name English
5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-4-PENTEN-3-ONE
Systematic Name English
1-PENTEN-3-ONE, 1-((1R)-2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (1E)-
Systematic Name English
.ALPHA-N-METHYLIONONE
Common Name English
FEMA NO. 2711
Common Name English
CETONE, ALPHA.-
Common Name English
(+)-.ALPHA.-METHYLIONONE
Common Name English
METHYL-ALPHA-IONONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL-ALPHA-IONONE
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID501197970
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
DAILYMED
QMK5X3FBG7
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
RXCUI
1999321
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
CHEBI
10284
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-842-1
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
ALTERNATIVE
PUBCHEM
16751505
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
JECFA MONOGRAPH
87
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
FDA UNII
QMK5X3FBG7
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
297-035-9
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
CAS
93302-56-8
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
PRIMARY
CAS
127-42-4
Created by admin on Fri Dec 15 20:39:27 UTC 2023 , Edited by admin on Fri Dec 15 20:39:27 UTC 2023
ALTERNATIVE
NIH
NCATS
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