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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGONE, (+)-

SMILES

C[C@H]1CC[C@H](C(C)=C)C(=O)C1

InChI

InChIKey=RMIANEGNSBUGDJ-DTWKUNHWSA-N
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:18:27 GMT 2023
Edited
by admin
on Fri Dec 15 21:18:27 GMT 2023
Record UNII
ERN62726IX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPULEGONE, (+)-
Common Name English
D-ISOPULEGONE
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHENYL)-, (2R-TRANS)-
Systematic Name English
(+)-ISOPULEGONE
Common Name English
P-MENTH-8-EN-3-ONE, (1S,4R)-(+)-
Systematic Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHENYL)-, (2R,5S)-
Systematic Name English
FEMA NO. 2964
Code English
ISOPULEGONE
FHFI  
Common Name English
ISOPULEGONE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOPULEGONE
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
Code System Code Type Description
MESH
C039648
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
CHEBI
37046
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
CAS
57129-09-6
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
JECFA MONOGRAPH
614
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
FDA UNII
ERN62726IX
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
SMS_ID
300000032679
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
PUBCHEM
6432305
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID601233729
Created by admin on Fri Dec 15 21:18:27 GMT 2023 , Edited by admin on Fri Dec 15 21:18:27 GMT 2023
PRIMARY
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