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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H28O2
Molecular Weight 240.3816
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MENTHYL ISOVALERATE, (-)-

SMILES

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

InChI

InChIKey=VYQSSWZYPCCBRN-HZSPNIEDSA-N
InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H28O2
Molecular Weight 240.3816
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:53:15 UTC 2023
Edited
by admin
on Fri Dec 15 19:53:15 UTC 2023
Record UNII
P5M0O284O6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MENTHYL ISOVALERATE, (-)-
Systematic Name English
BUTANOIC ACID, 3-METHYL-, (1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER
Common Name English
VALIDOL
Common Name English
FEMA NO. 4156, (-)-
Code English
L-MENTHYL ISOVALERATE
Common Name English
BUTANOIC ACID, 3-METHYL-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-
Common Name English
MENTHYL ISOVALERATE [MI]
Common Name English
MENTHYL ISOVALERATE [FHFI]
Common Name English
ISOVALERIC ACID, P-MENTH-3-YL ESTER
Common Name English
FEMA NO. 2669
Common Name English
Code System Code Type Description
JECFA MONOGRAPH
425
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
CAS
28221-20-7
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
MERCK INDEX
m7179
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY Merck Index
MERCK INDEX
m7179
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
ECHA (EC/EINECS)
240-460-1
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
ALTERNATIVE
WIKIPEDIA
Validol
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
FDA UNII
P5M0O284O6
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
PUBCHEM
119900
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID90883268
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY
ECHA (EC/EINECS)
248-911-4
Created by admin on Fri Dec 15 19:53:15 UTC 2023 , Edited by admin on Fri Dec 15 19:53:15 UTC 2023
PRIMARY