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Carboxylic acids and anhydrides

Isovalerate

Also known as 3-methylbutanoate, isopropylacetate, 3-Methylbutyrate

CAS 5711-68-2Formula C5H9O2-Molar mass 101.13 g/mol
1 supplier listed
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Isovalerate chemical structure, C5H9O2-, CAS 5711-68-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5711-68-2
Formula
C5H9O2-
Molar mass
101.13 g/mol
HS code
291560
Category
Carboxylic acids and anhydrides

What is Isovalerate?

Plain description, key identifiers and synonyms

Isovalerate is a branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid, reported to improve ruminal fermentation and feed digestion in cattle. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid anion, a branched-chain saturated fatty acid anion and a 3-methyl fatty acid anion. It is a conjugate base of an isovaleric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylbutanoate
CAS number
5711-68-2
Molecular formula
C5H9O2-
InChIKey
GWYFCOCPABKNJV-UHFFFAOYSA-M
InChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1
SMILES (canonical and isomeric)
CC(C)CC(=O)[O-]

Synonyms

  • 3-methylbutanoate
  • isopropylacetate
  • 3-Methylbutyrate
  • delphinate
  • isopentanoate
  • isovalerianate
  • beta-methylbutyrate
  • 3-methyl-n-butyrate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
101.13 g/molcalc.
Exact mass
101.0608 Dacalc.
LogP (octanol/water)
-0.22calc.
Topological polar surface area
40.13 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
7calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
-1calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Isovalerate suppliers

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Where suppliers are based

1 supplier in 1 country

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Isovalerate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • mammalian metabolite
  • metabolite
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isovalerate is traded under.

HS 2915.60Indicative HS code

Butanoic acids, pentanoic acids, their salts and esters

World exports in 2024
$704M
+7.9% vs 2023, imports $679M
2019 to 2024
Top exporters
  1. China24.0%
  2. United States23.0%
  3. Netherlands9.3%
Top importers
  1. India * partner reported9.8%
  2. United States9.7%
  3. Netherlands7.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isovalerate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isovalerate, based on the data on this page

What is Isovalerate?

Isovalerate is a branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid, reported to improve ruminal fermentation and feed digestion in cattle. It has a role as a mammalian metabolite and a plant metabolite.

What is the CAS number of Isovalerate?

The CAS registry number of Isovalerate is 5711-68-2.

What is the molecular formula and weight of Isovalerate?

The molecular formula of Isovalerate is C5H9O2- and its molar mass is 101.13 g/mol.

What is Isovalerate used for?

Known uses and roles of Isovalerate include building blocks in research and laboratory, animal metabolite, eukaryotic metabolite, mammalian metabolite, metabolite and 1 more.

Is Isovalerate hazardous?

No GHS hazard classification for Isovalerate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isovalerate?

Isovalerate is usually classified under HS code 291560 (Butanoic acids, pentanoic acids, their salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isovalerate?

CompoundList lists 1 supplier of Isovalerate in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isovalerate?

Suppliers quote Isovalerate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isovalerate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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