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Details

Stereochemistry ACHIRAL
Molecular Formula C5H10O2
Molecular Weight 102.1317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERIC ACID

SMILES

CC(C)CC(O)=O

InChI

InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-N
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C5H10O2
Molecular Weight 102.1317
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:30:37 UTC 2023
Edited
by admin
on Fri Dec 15 17:30:37 UTC 2023
Record UNII
1BR7X184L5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOVALERIC ACID
FCC   FHFI   HSDB   MART.   MI  
Systematic Name English
NSC-62783
Code English
ISOVALERIANIC ACID
Common Name English
ISOVALERIC ACID [MI]
Common Name English
DELPHINIC-ACID
Common Name English
.BETA.-METHYLBUTYRIC ACID
Systematic Name English
ISOPENTANOIC ACID
Systematic Name English
3-METHYLBUTANOIC ACID
Systematic Name English
ISOVALERIC ACID [HSDB]
Common Name English
BUTANOIC ACID, 3-METHYL-
Systematic Name English
ISOVALERIC ACID [MART.]
Common Name English
DELPHINIC ACID
Common Name English
ACETIC ACID, ISOPROPYL-
Common Name English
FEMA NO. 3102
Code English
ISOVALERIC ACID [FCC]
Common Name English
ISOPROPYLACETIC ACID
Systematic Name English
ISOVALERIC ACID [FHFI]
Common Name English
Isovaleric acid [WHO-DD]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOVALERIC ACID
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
Code System Code Type Description
EVMPD
SUB130125
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
FDA UNII
1BR7X184L5
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
MESH
C008216
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
DRUG BANK
DB03750
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID5029182
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
HSDB
629
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
CAS
503-74-2
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
NSC
62783
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
CHEBI
28484
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
MERCK INDEX
m6547
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
3-METHYLBUTANOIC ACID
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
PUBCHEM
10430
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-975-3
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
JECFA MONOGRAPH
435
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
SMS_ID
100000156036
Created by admin on Fri Dec 15 17:30:37 UTC 2023 , Edited by admin on Fri Dec 15 17:30:37 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
ACTIVE MOIETY