Methyl isobutyrylacetate, 97%

Name: Methyl isobutyrylacetate, 97%
Brand: Vaqora Chemicals
SKU: VQ-008901

About Methyl isobutyrylacetate, 97%

Methyl isobutyrylacetate is an ester carrying the CAS registry number 42558-54-3, specified at 97% purity. The compound has the formula C7H12O3, corresponding to a molecular weight of 144.17 g/mol. The IUPAC name is methyl 4-methyl-3-oxopentanoate. It is also known as Methyl 4-methyl-3-oxovalerate or methylisobutyrylacetate.

It is supplied as a clear colourless liquid. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

It is commonly used for organic synthesis and API synthesis. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 g and 500 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Methyl isobutyrylacetate, 97%
Catalogue No.	VQ-008901
CAS Number	42558-54-3
IUPAC name	methyl 4-methyl-3-oxopentanoate
Molecular formula	C₇H₁₂O₃
Molecular weight	144.17 g/mol
Exact mass	144.0786
Purity / assay	97%
HSN code	29329900
InChIKey	HNNFDXWDCFCVDM-UHFFFAOYSA-N
SMILES	CC(C)C(=O)CC(=O)OC
PubChem CID	2759969

Physical properties
Physical form	Liquid
Appearance	Clear colourless liquid
LogP (XLogP3)	1
H-bond donors / acceptors	0 / 3
TPSA	43.4 Å²
Synonyms	Isobutyrylacetic acid methyl ester Methyl 4-methyl-3-oxovalerate, Methyl 4-methyl-3-oxovalerate, methylisobutyrylacetate, 4-Methyl-3-oxovaleric Acid Methyl Ester, Isobutyrylacetic Acid Methyl Ester, methyl 4-methyl-3-oxo-pentanoate, methyl 3-oxo-4-methylpentanoate, 4-methyl-3-oxopentanic acid methyl ester, 4-methyl-3-oxo-pentanoic acid methyl ester, Iso-butyryl methyl acetate, Methyl 4-methy, -2,2-dimethyl-1,3-dioxane-4-Acetate

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Signal word: Danger

Hazard statements

H315Causes skin irritation
H318Causes serious eye damage
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P305 + P354 + P338, P317, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Methyl isobutyrylacetate, 97%?

The CAS Registry Number of Methyl isobutyrylacetate, 97% is 42558-54-3. It is also known as Isobutyrylacetic acid methyl ester Methyl 4-methyl-3-oxovalerate, Methyl 4-methyl-3-oxovalerate, methylisobutyrylacetate.

What is the molecular formula and molecular weight of Methyl isobutyrylacetate, 97%?

Methyl isobutyrylacetate, 97% has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 4-methyl-3-oxopentanoate.

Which grade and pack sizes of Methyl isobutyrylacetate, 97% can I order?

We supply Methyl isobutyrylacetate, 97% in (97%) grade, in 100 g, 500 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Methyl isobutyrylacetate, 97%?

Yes. Every lot of Methyl isobutyrylacetate, 97% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Methyl isobutyrylacetate, 97% be shipped internationally?

Yes. Methyl isobutyrylacetate, 97% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.