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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 C5H9O2
Molecular Weight 101.1238
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Effect of digestion temperature and pH on treatment efficiency and evolution of volatile fatty acids during thermophilic aerobic digestion of model high strength agricultural waste.
2005-04
Isovaleric acidemia diagnosed promptly by tandem mass spectrometry: report of one case.
2004-12-31
Two new iridoids from Patrinia scabra.
2004-12
Isolation of Lactobacillus sakei strain KJ-2008 and its removal of characteristic malodorous gases under anaerobic culture conditions.
2004-12
Effect of increasing ruminal butyrate absorption on splanchnic metabolism of volatile fatty acids absorbed from the washed reticulorumen of steers.
2004-12
A common mutation is associated with a mild, potentially asymptomatic phenotype in patients with isovaleric acidemia diagnosed by newborn screening.
2004-12
Thermosipho atlanticus sp. nov., a novel member of the Thermotogales isolated from a Mid-Atlantic Ridge hydrothermal vent.
2004-11
Could valerian have been the first anticonvulsant?
2004-11
Performance and caecal adaptation of turkeys to diets without or with antibiotic and with different levels of mannan-oligosaccharide.
2004-10
Unusual ADP-forming acetyl-coenzyme A synthetases from the mesophilic halophilic euryarchaeon Haloarcula marismortui and from the hyperthermophilic crenarchaeon Pyrobaculum aerophilum.
2004-10
Thermodynamic analysis of product formation in mesophilic acidogenesis of lactose.
2004-09-30
Oxygenated diterpenes and other constituents from Moroccan Juniperus phoenicea and Juniperus thurifera var. africana.
2004-09
Synthesis of flavor and fragrance esters using Candida antarctica lipase.
2004-09
Diterpenoids with inhibitory activity against NFAT transcription factor from Acanthopanax koreanum.
2004-08
Near-infrared spectroscopy of the adult human olfactory cortex.
2004-08
Gastrointestinally distributed UDP-glucuronosyltransferase 1A10, which metabolizes estrogens and nonsteroidal anti-inflammatory drugs, depends upon phosphorylation.
2004-07-02
Splanchnic metabolism of volatile fatty acids absorbed from the washed reticulorumen of steers.
2004-07
13C NMR chemical shifts of the triclinic and monoclinic crystal forms of valinomycin.
2004-07
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
2004-06-11
Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.
2004-06-11
Immobilization of lipases on different carriers and their use in synthesis of pentyl isovalerates.
2004-05
Exceptional chiral recognition of racemic carboxylic acids by calix[4]arenes bearing optically pure alpha,beta-amino alcohol groups.
2004-04-15
Effect of Maillard reaction products on ruminal and fecal acid-resistant E. coli, total coliforms, VFA profiles, and pH in steers.
2004-04
Brachyspira pilosicoli colonization in experimentally infected mice can be facilitated by dietary manipulation.
2004-04
Frequencies of inherited organic acidurias and disorders of mitochondrial fatty acid transport and oxidation in Germany.
2004-02
Isovaleric acidaemia: cranial CT and MRI findings.
2004-02
Study on the organoleptic intensity scale for measuring oral malodor.
2004-01
Use of headspace solid-phase microextraction to characterize odour compounds in subsurface flow constructed wetland for wastewater treatment.
2004
Catabolism of leucine to branched-chain fatty acids in Staphylococcus xylosus.
2004
Flavoring components of raw monsooned arabica coffee and their changes during radiation processing.
2003-12-31
A dose-response experiment evaluating the effects of oligofructose and inulin on nutrient digestibility, stool quality, and fecal protein catabolites in healthy adult dogs.
2003-12
Isovaleric acid accumulation in odontocete melon during development.
2003-11
Kinetics of thermophilic, anaerobic oxidation of straight and branched chain butyrate and valerate.
2003-10-20
Dynamics of the anaerobic process: effects of volatile fatty acids.
2003-06-30
Altering soluble and potentially rumen degradable protein for prepubertal Holstein heifers.
2003-06
Synthesis of ethyl isovalerate using Rhizomucor miehei lipase: optimization.
2003-05-21
Attractiveness of fruit and flower odorants detected by olfactory receptor neurons in the fruit chafer Pachnoda marginata.
2003-05
Investigation of the change in the flavor of a coffee drink during heat processing.
2003-04-23
High concentrations of isovaleric acid in the fats of odontocetes: variation and patterns of accumulation in blubber vs. stability in the melon.
2003-04
Effects of isomalto-oligosaccharides on broiler performance and intestinal microflora.
2003-04
Effects of environmental factors on leucine catabolism by Carnobacterium piscicola.
2003-03-25
Novel ether derivatives of mannopeptimycin glycopeptide antibiotic.
2003-03-24
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruit puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O.
2003-02-26
Specific anosmia to isovaleric acid in laboratory C57BL/6 mice: recessive inheritance.
2003-02-13
[Analysis of the constituents of essential oils from Sambucus chinensis].
2003-02
Branched chain amino acids as source of specific branched chain volatile fatty acids during the fermentation process of fish sauce.
2003
Hydrogen production from wastewater by acidogenic granular sludge.
2003
Second case of a successful pregnancy in maternal isovaleric acidaemia.
2002-12
Biosynthesis of the lipophilic side chain in the cyclic hexadepsipeptide antibiotic IC101.
2002-12
Modulation of CD8+ intraepithelial lymphocyte distribution by dietary fiber in the rat large intestine.
2002-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:59:20 GMT 2025
Edited
by admin
on Mon Mar 31 19:59:20 GMT 2025
Record UNII
5W4HQA4N4H
Record Status Validated (UNII)
Record Version
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Name Type Language
3-METHYLBUTYRIC ACID SODIUM SALT
Preferred Name English
SODIUM ISOVALERATE
Systematic Name English
SODIUM 3-METHYLBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 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 Mon Mar 31 19:59:20 GMT 2025 , Edited by admin on Mon Mar 31 19:59:20 GMT 2025
PRIMARY
CAS
539-66-2
Created by admin on Mon Mar 31 19:59:20 GMT 2025 , Edited by admin on Mon Mar 31 19:59:20 GMT 2025
PRIMARY
FDA UNII
5W4HQA4N4H
Created by admin on Mon Mar 31 19:59:20 GMT 2025 , Edited by admin on Mon Mar 31 19:59:20 GMT 2025
PRIMARY
PUBCHEM
23673832
Created by admin on Mon Mar 31 19:59:20 GMT 2025 , Edited by admin on Mon Mar 31 19:59:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-723-5
Created by admin on Mon Mar 31 19:59:20 GMT 2025 , Edited by admin on Mon Mar 31 19:59:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE