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Details

Stereochemistry UNKNOWN
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

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

SMILES

CCC(=O)\C=C\C1C(C)C=CCC1(C)C

InChI

InChIKey=ZQJCPDKTEXSWTH-CMDGGOBGSA-N
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:58:21 GMT 2023
Edited
by admin
on Fri Dec 15 15:58:21 GMT 2023
Record UNII
11E70LY0Z5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL .DELTA.-IONONE
Common Name English
METHYL-.DELTA.-IONONE
Common Name English
5-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-4-PENTEN-3-ONE
Systematic Name English
1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE
Systematic Name English
1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
11E70LY0Z5
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY
PUBCHEM
5463913
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
232-074-7
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY
JECFA MONOGRAPH
88
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY
CAS
7784-98-7
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID20864126
Created by admin on Fri Dec 15 15:58:21 GMT 2023 , Edited by admin on Fri Dec 15 15:58:21 GMT 2023
PRIMARY