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Methyl isobutyrylacetate

Methyl isobutyrylacetate Structure
Methyl isobutyrylacetate structure
CAS No.
42558-54-3
Chemical Name:
Methyl isobutyrylacetate
Synonyms
METHYL 4-METHYL-3-OXOPENTANOATE;MIBA;Methyl isobutyrylacetate ,98%;ISOBUTYRYLACETIC ACID METHYL ESTER;4-METHYL-3-OXO-PENTANOIC ACID METHYL ESTER;IBEM;-3-oxopentanoate;BUTTPARK 30\10-63;Methyl 4-methyl-3-ox;Methyl Isobutyryacetate
CBNumber:
CB8297419
Molecular Formula:
C7H12O3
Molecular Weight:
144.17
MDL Number:
MFCD00040499
MOL File:
42558-54-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 03:51:45
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Methyl isobutyrylacetate Properties

Melting point -75°C
Boiling point 55-57 °C15 hPa(lit.)
Density 1.013 g/mL at 20 °C(lit.)
vapor pressure 1.46hPa at 25℃
refractive index 1.4265
Flash point 79°C
storage temp. Store below +30°C.
solubility 43.6g/l
pka 10.59±0.46(Predicted)
form Oil
color Colourless
PH 4.8 (10g/l, H2O, 20℃)
explosive limit 1.29%(V)
Water Solubility 43.6g/L at 20℃
BRN 1857823
InChI 1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3
InChIKey HNNFDXWDCFCVDM-UHFFFAOYSA-N
SMILES O(C)C(=O)CC(=O)C(C)C
LogP 0.21 at 25℃
CAS DataBase Reference 42558-54-3(CAS DataBase Reference)
UNSPSC Code 12352108
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227
Precautionary statements  P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Risk Statements  36/38
Safety Statements  26-36-24/25
WGK Germany  1
Autoignition Temperature 280°C
HS Code  29183000
Storage Class 10 - Combustible liquids
REACH Registrations Active
NFPA 704
2
0 0

Methyl isobutyrylacetate price More Price(39)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.14190 Methyl isobutyrylacetate for synthesis 42558-54-3 50ML $114 2026-04-30 Buy
TCI Chemical I0592 Methyl Isobutyrylacetate >97.0%(GC) 42558-54-3 25g $58 2026-04-30 Buy
TRC TRC-I789125-5G Isobutyrylacetic Acid Methyl Ester 42558-54-3 5g $80 2026-06-03 Buy
Biosynth FM57580 Methyl 4-methyl-3-oxopentanoate 42558-54-3 0.1kg $270.19 2026-06-04 Buy
Biosynth FM57580 Methyl 4-methyl-3-oxopentanoate 42558-54-3 0.25kg $482.49 2026-06-04 Buy
Product number Packaging Price Buy
8.14190 50ML $114 Buy
I0592 25g $58 Buy
TRC-I789125-5G 5g $80 Buy
FM57580 0.1kg $270.19 Buy
FM57580 0.25kg $482.49 Buy

Methyl isobutyrylacetate Chemical Properties, Uses, Production

Chemical Properties

colorless to yellowish liquid

Uses

Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet

Uses

Isobutanoyl Methyl Acetate is a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement.

Flammability and Explosibility

Not classified

Synthesis

3-Methyl-2-butanone

563-80-4

Dimethyl carbonate

616-38-6

Methyl isobutyrylacetate

42558-54-3

The general procedure for the synthesis of methyl isobutyrylacetate from 3-methyl-2-butanone and dimethyl carbonate was as follows: first, sodium hydride (70.32 g, 2.1 eq., 50% dispersion in oil) was washed with toluene, and the washings were decanted. Next, anhydrous toluene (500 mL) and dimethyl carbonate (329.3 g, 2 eq.) were added to the reaction system and the stirred mixture was heated to 80 °C under nitrogen protection. Meanwhile, 3-methyl-2-butanone (120 g, 1 eq.) was dissolved in 240 mL of toluene and slowly added to the reaction system. After the reaction lasted for 5 hours, the cooled mixture was poured into a mixture containing glacial acetic acid (300 mL) and water (120 mL). The organic layer was separated and the aqueous layer was further extracted with ethyl acetate (300 mL). All organic extracts were combined and after evaporation of the solvent, the residue was distilled to afford methyl 4-methyl-3-oxopentanoate as a slurry (138 g, 62.72% yield).

References

[1] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 4, p. 923 - 926
[2] Patent: WO2006/110918, 2006, A1. Location in patent: Page/Page column 51
[3] Organic and Biomolecular Chemistry, 2011, vol. 9, # 3, p. 739 - 743
[4] Chemistry - A European Journal, 2008, vol. 14, # 32, p. 9864 - 9867
[5] Advanced Synthesis and Catalysis, 2016, vol. 358, # 12, p. 1934 - 1941

Methyl isobutyrylacetate synthesis

563-80-4
616-38-6
16466-21-0
101459-87-4
42558-54-3
Synthesis of Methyl isobutyrylacetate from 3-Methyl-2-butanone and Dimethyl carbonate

Methyl isobutyrylacetate Preparation Products And Raw materials

Raw materials

2,2-diMethyl-5-(2-Methylpropanoyl)-1,3-dioxane-4,6-dione ethyl 3-oxo-2-acetyl-4-Methylpentanoate Azulene, 1,2,3,3a,6,8a-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R,3aS,8aS)- Methyl 4-methyl-2-pentenoate 4-Methyl-3-oxopentanoic acid
Isobutyryl meldrum's acid Methyl diazoacetate Isobutyryl chloride Ethyl isobutyrylacetate 3-Methyl-2-butanone

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Preparation Products

2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide 1,3-Pentanediol, 4-methyl- 1-methoxy-4-methylpentan-3-ol 5-Thiazolecarboxylic acid, 4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-, methyl ester 2-Amino-4-hydroxy-6-isopropylpyrimidine
Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

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Methyl isobutyrylacetate Suppliers

Global Suppliers ( 469)
Supplier Tel Email Country ProdList Advantage
Joyman BIOTECH (Lianyungang) Co., Ltd. 0518-85817797 18661269107 info@joy-man.com China 41 58
Hubei Youcheng New Material Technology Co., Ltd 17764017698 13163370568 1601302530@qq.com China 495 58
BTC Pharmaceutical CO. Ltd +86-15716293042 15716293042 info@btcpharm.com China 822 55
ANHUI JINQUAN BIOLOGICAL TECHNOLOGY CO., LTD 15958680024 fish@jinquanbio.com China 13 58
Shanghai Boyle Chemical Co., Ltd. 021-50182298 021-50180596 sales@boylechem.com China 2202 55
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
future industrial shanghai co., ltd 400-0066400 13621662912 sales@jonln.com China 1989 65
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Supplier Advantage
Joyman BIOTECH (Lianyungang) Co., Ltd. 58
Hubei Youcheng New Material Technology Co., Ltd 58
BTC Pharmaceutical CO. Ltd 55
ANHUI JINQUAN BIOLOGICAL TECHNOLOGY CO., LTD 58
Shanghai Boyle Chemical Co., Ltd. 55
J & K SCIENTIFIC LTD. 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 62
future industrial shanghai co., ltd 65
Alfa Aesar 84
TCI (Shanghai) Development Co., Ltd. 81

View Latest Price from Methyl isobutyrylacetate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Methyl isobutyrylacetate pictures 2026-09-18 Methyl isobutyrylacetate
42558-54-3
 1KG 98.5%min 10 TONS WUHAN FORTUNA CHEMICAL CO., LTD
Methyl isobutyrylacetate pictures 2026-09-17 Methyl isobutyrylacetate
42558-54-3
 0.99 RongNa Biotechnology Co.,Ltd
Methyl isobutyrylacetate pictures 2026-09-02 Methyl isobutyrylacetate
42558-54-3
 $8.00 1KG 99% Henan Fengda Chemical Co., Ltd

Methyl isobutyrylacetate Spectrum

Methyl isobutyrylacetate(42558-54-3)1HNMR

42558-54-3 (Methyl isobutyrylacetate) Related Search:

Methyl phenylacetate Methyl cyanoacetate Methyl formate Methyl methoxyacetate Ethyl isobutyrylacetate
Isobutyraldehyde Isobutyryl chloride Methyl acetate Methyl acrylate Methylparaben
Methyl bromoacetate Methyl benzoate Dibutyryl adenosine cyclophosphate calcium Kresoxim-methyl Chlorosulfonyl isocyanate
Thiophanate-methyl Metsulfuron methyl Methyl glycolate

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Methyl 4-methyl-3-ox -2,2-diMethyl-1,3-dioxane-4-Acetate Isobutyrylacetic Acid Methyl Ester Methyl 4-Methyl-3-oxovalerate 4-Methyl-3-oxovaleric Acid Methyl Ester METHYL ISOBUTYRYLACETATE FOR SYNTHESIS Methyl 4-Methyl-3-oxovalerate (IBEM) Methyl 4-Methyl-3-oxopentanoate, 97+% Butyl acyl Methyl acetate METHYL ISOBUTYRYLACETATE METHYL ISOBUTYLOYLACETATE METHYL 4-METHYL-3-OXOVALERATE IBEM ISOBUTYLACETIC ACID METHYL ESTER ISO-BUTYRYL METHYL ACETATE ISOBUTYRYLACETIC ACID METHYL ESTER BUTTPARK 30\10-63 4-METHYL-3-OXOVALERIC ACID METHYL ESTER MIBA Methyl Isobutyryacetate M1 METHYL ISOBUTYL ACETATE Methyl-(4-methyl-3-oxopentanoat) Pentanoic acid, 4-methyl-3-oxo-, methyl ester 3-Amino-5-(methylisobutylamino)-6-chloro-N-(aminoiminomethyl)pyrazine-2-carboxamide 3-Amino-5-(N-methyl-N-isobutylamino)-6-chloro-N-(aminoiminomethyl)-2-pyrazinecarboxamide 6-Chloro-3-amino-5-[methyl(2-methylpropyl)amino]-N-(diaminomethylene)-2-pyrazinecarboxamide Isobutylmethylamiloride IBEM, Methyl isobutyrylacetate methyl (Z)-3-hydroxy-4-methylpent-2-enoate & methyl 4-methyl-3-oxopentanoate 2-methylpropanoic acid 1-oxopropyl ester MethylIsobutyrylacetate> Atorvastatin Impurity 128 Atorvastatin Impurity 194 -3-oxopentanoate Methylenelisobutyrylacetate Methyl isobutyrylacetate (Atorvastatin calcium calcium Impurity) Pentanoic acid, 4-methyl-3-oxo-, methyl ester (9CI, ACI) Methyl isobutyrylacetate,Isobutyrylacetic acid methyl ester 4-methyl-3-oxo-Pentanoic acid methyl ester (9CI ACI) Methyl Isobutyryl Acetate (MIBA) (also for Rosuvastatin) Atorvastatin calcium impurity 64 Methyl iso butaryl acetate (MIBA) Methyl Isobutyrylacetate / ibem Methyl isobutyrylacetate 98.5% Methyl isobutyrylacetate (Atorvastatin calcium Impurity) 4-METHYL-3-OXO-PENTANOIC ACID METHYL ESTER METHYL 4-METHYL-3-OXOPENTANOATE Methyl isobutyrylacetate ,98% Methyl isobutyrylacetate (M1) 42558-54-3 42558-53-3 CH32CHCOCH2COOCH3 Organic Building Blocks Esters Carbonyl Compounds C6 to C7 Building Blocks ester series bc0001