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Esters & Lactones

Methyl isobutyrylacetate, 97%

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Methyl isobutyrylacetate, 97% (CAS 42558-54-3) supplier Zemixal. Request a quote with price, lead time and documents. Part of our Esters & Lactones range.

Pack sizes
Methyl isobutyrylacetate, 97% chemical structure
CAS number42558-54-3
FormulaC7H12O3
Molar mass144.17 g/mol
Physical formLiquid
HS code29329900
Purity97%
InChIKeyHNNFDXWDCFCVDM-UHFFFAOYSA-N
IUPAC namemethyl 4-methyl-3-oxopentanoate

About Methyl isobutyrylacetate, 97%

Methyl isobutyrylacetate, 97% is part of the Zemixal esters & Lactones range. Identity at a glance (97%): CAS 42558-54-3, formula C7H12O3 and molar mass 144.17 g/mol. Typical appearance is clear colourless liquid.

Typical applications

  • Organic synthesis
  • API synthesis

Handling and storage

Classified under GHS with signal word Danger and hazard statements H315, H318, H319 and H335. Read the SDS before first use.

Order it in 100 g and 500 g packs or ask for a bulk quotation. Every shipment includes a batch certificate of analysis and a 16-section SDS. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Specifications and identifiers

Specifications of Methyl isobutyrylacetate, 97%
Product nameMethyl isobutyrylacetate, 97%
Catalogue numberZX-007959
CAS number42558-54-3
IUPAC namemethyl 4-methyl-3-oxopentanoate
Molecular formulaC7H12O3
Molar mass144.17 g/mol
Exact mass144.0786
Purity / assay97%
Physical formLiquid
AppearanceClear colourless liquid
XLogP31
H-bond donors / acceptors0 / 3
Topological polar surface area43.4 Ų
HS code29329900
InChIKeyHNNFDXWDCFCVDM-UHFFFAOYSA-N
SMILESCC(C)C(=O)CC(=O)OC
PubChem CID2759969
SynonymsIsobutyrylacetic 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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS05 Corrosive
Corrosive
GHS07 Irritant or harmful
Irritant or harmful

Signal word Danger

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Methyl isobutyrylacetate, 97%
100 gQuoted on request
500 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Methyl isobutyrylacetate, 97%

Which CAS number identifies Methyl isobutyrylacetate, 97%?
Methyl isobutyrylacetate, 97% is registered under CAS 42558-54-3. You may also see it listed as Isobutyrylacetic acid methyl ester Methyl 4-methyl-3-oxovalerate, Methyl 4-methyl-3-oxovalerate, methylisobutyrylacetate. Our catalogue number for this item is ZX-007959.
What are the formula and molar mass of Methyl isobutyrylacetate, 97%?
For Methyl isobutyrylacetate, 97%, its formula is C7H12O3 and its molar mass is 144.17 g/mol. The systematic (IUPAC) name is methyl 4-methyl-3-oxopentanoate. InChIKey HNNFDXWDCFCVDM-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Methyl isobutyrylacetate, 97%?
This listing is 97% purity. Standard packs are 100 g, 500 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Methyl isobutyrylacetate, 97%?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Methyl isobutyrylacetate, 97% to my country?
Yes. Because Methyl isobutyrylacetate, 97% is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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