Methyl acetoacetate CAS No.105-45-3

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)

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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

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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)

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3. Applications

Food Industry

Flavoring agent (fruity ester notes)Intermediate for food additives

Coating Industry

Solvent for resins and polymersPrecursor for UV-curable coatings

Environmental Protection

Biodegradable solvent alternativeGreen chemistry applications

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4. Safety Information

Hazard Statements:

H226: Flammable liquid and vaporH319: Causes serious eye irritationH335: May cause respiratory irritation

Precautionary Measures:

P210: Keep away from heat/sparks/open flamesP280: Wear protective gloves/eye protectionP305+P351+P338: Eye contact rinse procedure

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