Isovaleric acid

CAT: 0013-GTR19169584-06Size: 10 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19169584-06Size:10 g

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Description

Isovaleric acid, also known as Delphinic acid, is a natural flavor compound present in Bartlett pear brandies, vanilla, rape-honey, and bananas. In research, it is studied for its roles in metabolic pathways, as a fermentation product, and as a potential biomarker in in vitro and in vivo studies related to metabolism and disease.

CAS Number

503-74-2

Product Name Alternative

Delphinic acid, beta-methylbutyric acid, b-methylbutyric acid, 3-Methylbutanoic acid, 3-Methylbutyric acid, inhibit, Isopentanoic acid, Isovaleric acid, Inhibitor, EndogenousMetabolite, Endogenous Metabolite, β-methylbutyric acid

Field of Research

Epigenetics & Chromatin, Metabolism Research, Signal Transduction

Purity

97.89% (May vary between batches)

Solubility

DMSO:Soluble; H2O:20 mg/mL (195.83 mM)

Smiles

CC (C) CC (O) =O

Molecular Formula

C5H10O2

Molecular Weight

102.13

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Isovaleric Acid

Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.

CAS Number	503-74-2
PubChem CID	10430
IUPAC Name	3-methylbutanoic acid
Molecular Formula	C5H10O2
Molecular Weight	102.13
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

CC(C)CC(=O)O

InChI

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

InChIKey

GWYFCOCPABKNJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 503-74-2

CID: 10430

Formula: C5H10O2

MW: 102.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	102.13
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	102.068079557
Monoisotopic Mass	102.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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452765-01	Isovaleric acid
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HY-W012980S1-01	Isovaleric acid-13C
HY-W012980S4	Isovaleric acid-13C2
TRC-I917572-500MG	Isovaleric Acid-d9
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I11280	Isovaleric Acid 35%
HY-W012980S2-01	Isovaleric acid-d2
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Isovaleric acid

Chemical Information

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