Methyl acetoacetate CAS No.105-45-3
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Category：Agrochemicals Own Brand：MT /MOQ:100KG /From China/ B2B only.
Introduction
Methyl Acetoacetate
CAS No.: 105-45-3 | CBNumber: CB5221273
105-45-3 – Names and Identifiers
| Name | Methyl acetoacetate |
| Synonyms | MAA ACM HYL ACETOACETATE Methyl acetoacetate Methyl acetoacetaten ACETYL METHYL ACETATE methyl 3-oxobutanoate ACETOACETIC ESTER (METHYL) ACETOACETIC ACID METHYL ESTER Acetoacetic acid methyl ester 3-OXOBUTYRIC ACID METHYL ESTER 3-OXBUTANOIC ACID METHYL ESTER 3-OXOBUTANOIC ACID METHYL ESTER |
| CAS | 105-45-3 |
| EINECS | 203-299-8 |
| InChI | InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
105-45-3 – Physico-chemical Properties
| Molecular Formula | C5H8O3 |
| Molar Mass | 116.12 |
| Density | 1.076 g/mL at 25 °C (lit.) |
| Melting Point | -80 °C (lit.) |
| Boling Point | 169-170 °C/70 mmHg (lit.) |
| Flash Point | 158°F |
| Water Solubility | 460 g/L (20 ºC) |
| Solubility | Soluble in water. |
| Vapor Presure | 1 hPa (20 °C) |
| Vapor Density | 4 (vs air) |
| Appearance | Transparent liquid |
| Color | APHA: ≤20 |
| Merck | 14,6009 |
| BRN | 506727 |
| pKa | 10.67±0.46(Predicted) |
| PH | 3.8 (863g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Sensitive | Easily absorbing moisture |
| Explosive Limit | 1.3-14.2%(V) |
| Refractive Index | n20/D 1.419(lit.) |
| MDL | MFCD00008784 |
| Physical and Chemical Properties | Characteristics of colorless transparent liquid, with aromatic flavor. melting point -80 ℃ boiling point 171.7 ℃ relative density 1.0762 refractive index 1.4184 flash point 70 ℃ solubility miscible with ethanol and ether, slightly soluble in water. |
| Use | For the pharmaceutical industry |
105-45-3 – Risk and Safety
| Hazard Symbols | Xi – Irritant |
| Risk Codes | 36 – Irritating to the eyes |
| Safety Description | 26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 1 |
| RTECS | AK5775000 |
| TSCA | Yes |
| HS Code | 29183000 |
| Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
1. Chemical Identification
| Property | Specification |
|---|---|
| IUPAC Name | Methyl 3-oxobutanoate |
| Molecular Formula | C₅H₈O₃ |
| Molecular Weight | 116.12 g/mol |
| MDL Number | MFCD00008784 |
Synonyms:
Methyl 3-oxobutyrate, Acetoacetic acid methyl ester
2. Physical Properties
| Parameter | Value |
|---|---|
| Appearance | Colorless liquid |
| Density | 1.076 g/cm³ at 20°C |
| Boiling Point | 169-170°C |
| Refractive Index | 1.418 (20°C) |
| Flash Point | 70°C (closed cup) |
3. Applications
Food Industry
- Flavoring agent (fruity ester notes)
- Intermediate for food additives
Coating Industry
- Solvent for resins and polymers
- Precursor for UV-curable coatings
Environmental Protection
- Biodegradable solvent alternative
- Green chemistry applications
4. Safety Information
Hazard Statements:
- H226: Flammable liquid and vapor
- H319: Causes serious eye irritation
- H335: May cause respiratory irritation
Precautionary Measures:
- P210: Keep away from heat/sparks/open flames
- P280: Wear protective gloves/eye protection
- P305+P351+P338: Eye contact rinse procedure
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