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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=LMWNGLDCJDIIBR-CMDGGOBGSA-N
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:04:57 GMT 2023
Edited
by admin
on Fri Dec 15 19:04:57 GMT 2023
Record UNII
54PXU8D4R5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-METHYL IONONE
Common Name English
FEMA NO. 2712
Code English
5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-4-PENTEN-3-ONE
Systematic Name English
METHYL-.BETA.-IONONE [FHFI]
Common Name English
1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-
Systematic Name English
.BETA.-METHYLIONONE
Common Name English
METHYLIONONE
Common Name English
NSC-163995
Code English
.BETA.-CETONE
Common Name English
METHYL-.BETA.-IONONE
FHFI  
Common Name English
METHYL-BETA-IONONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL-BETA-IONONE
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
Code System Code Type Description
FDA UNII
54PXU8D4R5
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
NSC
163995
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID6051643
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-843-7
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
PUBCHEM
5375218
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
CAS
127-43-5
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
335
Created by admin on Fri Dec 15 19:04:57 GMT 2023 , Edited by admin on Fri Dec 15 19:04:57 GMT 2023
PRIMARY