ChemicalBook > CAS DataBase List > Methyl isobutyrylacetate
Methyl isobutyrylacetate
- Product Name
- Methyl isobutyrylacetate
- CAS No.
- 42558-54-3
- Chemical Name
- Methyl isobutyrylacetate
- Synonyms
- METHYL 4-METHYL-3-OXOPENTANOATE;MIBA;ISOBUTYRYLACETIC ACID METHYL ESTER;IBEM;-3-oxopentanoate;BUTTPARK 30\10-63;Methyl 4-methyl-3-ox;Methyl Isobutyryacetate;Isobutylmethylamiloride;METHYL ISOBUTYRYLACETATE
- CBNumber
- CB8297419
- Molecular Formula
- C7H12O3
- Formula Weight
- 144.17
- MOL File
- 42558-54-3.mol
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Methyl isobutyrylacetate Property
- 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
- InChIKey
- HNNFDXWDCFCVDM-UHFFFAOYSA-N
- LogP
- 0.21 at 25℃
- CAS DataBase Reference
- 42558-54-3(CAS DataBase Reference)
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Safety
- Risk Statements
- 36/38
- Safety Statements
- 26-36-24/25
- WGK Germany
- 1
- Autoignition Temperature
- 280°C
- HS Code
- 29183000
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 8.14190
- Product name
- Methyl isobutyrylacetate
- Purity
- for synthesis
- Packaging
- 50ML
- Price
- $107
- Updated
- 2025/07/31
TCI Chemical
- Product number
- I0592
- Product name
- Methyl Isobutyrylacetate
- Purity
- >97.0%(GC)
- Packaging
- 25g
- Price
- $59
- Updated
- 2025/07/31
TRC
- Product number
- I789125
- Product name
- IsobutyrylaceticAcidMethylEster
- Packaging
- 100g
- Price
- $155
- Updated
- 2021/12/16
AK Scientific
- Product number
- J94655
- Product name
- Methyl Isobutyrylacetate
- Packaging
- 500g
- Price
- $160
- Updated
- 2021/12/16
Frontier Specialty Chemicals
- Product number
- JK356373
- Product name
- Methyl Isobutyrylacetate
- Purity
- 98%
- Packaging
- 100g
- Price
- $191
- Updated
- 2021/12/16
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Methyl isobutyrylacetate Chemical Properties,Usage,Production
Chemical Properties
colorless to yellowish liquid
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.
Uses
Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet
Flammability and Explosibility
Not classified
Synthesis
563-80-4
616-38-6
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 Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Methyl isobutyrylacetate manufacturers
Shaanxi Dideu New Materials Co. Ltd
- Product
- Methyl isobutyrylacetate 42558-54-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000kgs
- Release date
- 2025-09-24
WUHAN FORTUNA CHEMICAL CO., LTD
- Product
- Methyl isobutyrylacetate 42558-54-3
- Price
- US $0.00-0.00/Kg/Drum
- Min. Order
- 1KG
- Purity
- 98.5%min
- Supply Ability
- 10 TONS
- Release date
- 2021-06-10
Hebei Zhuanglai Chemical Trading Co.,Ltd
- Product
- Methyl isobutyrylacetate 42558-54-3
- Price
- US $32.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000kg/week
- Release date
- 2024-05-15
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