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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9O2.Na
Molecular Weight 124.1135
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM ISOVALERATE

SMILES

[Na+].CC(C)CC([O-])=O

InChI

InChIKey=JJZAWYXASMCCLB-UHFFFAOYSA-M
InChI=1S/C5H10O2.Na/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H9O2
Molecular Weight 101.1238
Charge -1
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 19:51:47 UTC 2023
Edited
by admin
on Fri Dec 15 19:51:47 UTC 2023
Record UNII
5W4HQA4N4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM ISOVALERATE
Systematic Name English
SODIUM 3-METHYLBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, SODIUM SALT
Common Name English
3-METHYLBUTYRIC ACID SODIUM SALT
Common Name English
SODIUM 3-METHYLBUTANOATE
Systematic Name English
ISOVALERIC ACID, SODIUM SALT
Common Name English
BUTANOIC ACID, 3-METHYL-, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00202168
Created by admin on Fri Dec 15 19:51:47 UTC 2023 , Edited by admin on Fri Dec 15 19:51:47 UTC 2023
PRIMARY
CAS
539-66-2
Created by admin on Fri Dec 15 19:51:47 UTC 2023 , Edited by admin on Fri Dec 15 19:51:47 UTC 2023
PRIMARY
FDA UNII
5W4HQA4N4H
Created by admin on Fri Dec 15 19:51:47 UTC 2023 , Edited by admin on Fri Dec 15 19:51:47 UTC 2023
PRIMARY
PUBCHEM
23673832
Created by admin on Fri Dec 15 19:51:47 UTC 2023 , Edited by admin on Fri Dec 15 19:51:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-723-5
Created by admin on Fri Dec 15 19:51:47 UTC 2023 , Edited by admin on Fri Dec 15 19:51:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE