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Details

Stereochemistry RACEMIC
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=JRJBVWJSTHECJK-PKNBQFBNSA-N
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+

HIDE SMILES / InChI

Approval Year

2012
595
Name Type Language
ISOMETHYL-.ALPHA.-IONONE
Common Name English
.ALPHA.-CETONE
Common Name English
NSC-66432
Code English
ALPHA-ISOMETHYL IONONE [INCI]
Common Name English
METHYL .GAMMA.-IONONE
Common Name English
ISOMETHYL-ALPHA-IONONE
Common Name English
CETONE ALPHA
Common Name English
4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-METHYL-3-BUTEN-2-ONE
Systematic Name English
FEMA NO. 2714
Code English
ISOMETHYLIONONE, ALPHA-
Common Name English
3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-
Systematic Name English
.ALPHA.-IONONE, ISOMETHYL-
Common Name English
ALPHAISOMETHYL IONONE
Common Name English
(±)-ISOMETHYL-.ALPHA.-IONONE
Common Name English
.ALPHA.-ISOMETHYLIONONE [FHFI]
Common Name English
ALPHA-ISOMETHYLIONONE
Common Name English
ISOMETHYLIONONE (ALPHA-)
Common Name English
3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
Systematic Name English
ALPHA-ISOMETHYL IONONE
INCI  
INCI  
Official Name English
Classification Tree Code System Code
EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION SCCS/1459/11
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
Code System Code Type Description
RXCUI
1368186
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY RxNorm
PUBCHEM
5372174
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
DAILYMED
9XP4LC555B
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
CAS
127-51-5
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
WIKIPEDIA
Alpha-isomethyl ionone
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-846-3
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
NSC
66432
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
JECFA MONOGRAPH
669
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID7027047
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
SMS_ID
100000162979
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
MESH
C494862
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
FDA UNII
9XP4LC555B
Created by admin on Fri Dec 15 17:49:08 GMT 2023 , Edited by admin on Fri Dec 15 17:49:08 GMT 2023
PRIMARY
NIH
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