U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMENTHONE, (±)-

SMILES

CC(C)[C@@H]1CC[C@H](C)CC1=O

InChI

InChIKey=NFLGAXVYCFJBMK-IUCAKERBSA-N
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
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 19:50:26 GMT 2023
Edited
by admin
on Fri Dec 15 19:50:26 GMT 2023
Record UNII
9WZ3E2G6CL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMENTHONE, (±)-
Common Name English
CIS-MENTHONE
Common Name English
(2R,5R)-5-METHYL-2-(PROPAN-2-YL)CYCLOHEXANONE
Systematic Name English
P-MENTHAN-3-ONE, CIS
Common Name English
P-MENTHAN-3-ONE, (Z)-
Common Name English
CIS-P-MENTHONE
Common Name English
DL-ISOMENTHONE
FHFI  
Common Name English
CIS-P-MENTHAN-3-ONE
Systematic Name English
ISOMENTHONE
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, (2R,5R)-REL-
Common Name English
DL-ISOMENTHONE [FHFI]
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, CIS
Common Name English
FEMA NO. 3460
Code English
.ALPHA.-ISOMENTHONE
Common Name English
(±)-ISOMENTHONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION DL-ISOMENTHONE
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
Code System Code Type Description
EVMPD
SUB31984
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
CAS
491-07-6
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
JECFA MONOGRAPH
423
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
CHEBI
36492
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
PUBCHEM
6432469
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
SMS_ID
100000127024
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
CHEBI
36493
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-727-4
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
FDA UNII
9WZ3E2G6CL
Created by admin on Fri Dec 15 19:50:26 GMT 2023 , Edited by admin on Fri Dec 15 19:50:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Calendula officinalis flower volatile oil constituent.
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE