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Methyl 4-methyl-3-oxopentanoate

Also known as: Methyl isobutyrylacetate, Isobutyrylacetic acid methyl ester, 4-Methyl-3-oxovaleric acid methyl ester, Methyl 4-methyl-3-oxovalerate, Methyl 3-oxoisocaproate, Pentanoic acid, 4-methyl-3-oxo-, methyl ester, IBEM, MIBA, Methyl isobutyrylacetate for synthesis, EINECS 418-900-0, MFCD00040499

Methyl 4-methyl-3-oxopentanoate (CAS 42558-54-3) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C7H12O3 and a molecular weight of 144.168 g/mol. Key properties include a melting point of -75°C, a boiling point of 185.8±8.0 °C at 760 mmHg, a density of 1.0±0.1 g/cm3 and a flash point of 68.9±18.5 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
42558-54-3
Jingsj CID
J-48749-0
Molecular Formula
C7H12O3
Molecular Weight
144.168 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Melting Point-75°C
Boiling Point185.8±8.0 °C at 760 mmHg
Density1.0±0.1 g/cm3
Flash Point68.9±18.5 °C
Exact Mass144.078644
PSA43.37000
LogP1.06
Vapor Pressure0.7±0.4 mmHg at 25°C
Refractive Index1.414

Customs & Trade Information

HS Code2918300090
Summary2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Frequently Asked Questions

What is the CAS number of Methyl 4-methyl-3-oxopentanoate?

The CAS number of Methyl 4-methyl-3-oxopentanoate is 42558-54-3.

What are the molecular formula and molecular weight of Methyl 4-methyl-3-oxopentanoate?

Methyl 4-methyl-3-oxopentanoate has molecular formula C7H12O3 and molecular weight 144.168 g/mol.

What are the upstream and downstream products of Methyl 4-methyl-3-oxopentanoate?

For Methyl 4-methyl-3-oxopentanoate, Upstream Products: 3-Methyl-2-butanone, Dimethyl Carbonate, Methyl 4-methyl-2-pentenoate; Downstream Products: 2H-1-Benzopyran-2-one,7-hydroxy-4-(1-methylethyl)-, Methyl 3-(2,6-dichlorophenyl)-5-isopropylisoxazole-4-carboxylate, 2-amino-4-hydroxy-6-isopropylpyrimidine.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "Methyl 4-methyl-3-oxopentanoate (CAS 42558-54-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-48749-0 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.