乙酰乙酸甲酯

Description

Methyl Acetoacetate · CAS 105-45-3 · C5H8O3. UNII CW4I82QAX1. Boiling Point: 336 to 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 171.7 °C; Boiling Point: 169.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	105-45-3
PubChem CID	7757
Molecular formula	C5H8O3
IUPAC name	methyl 3-oxobutanoate
UNII (FDA)	CW4I82QAX1

Computed Descriptors

Molecular Weight	116.11
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	43.4
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	336 to 338 °F at 760 mmHg (USCG, 1999)
Boiling Point	171.7 °C
Boiling Point	169.00 °C. @ 760.00 mm Hg
Melting Point	-112 °F (USCG, 1999)
Melting Point	-80 °C
Melting Point	-27 °C
Flash Point	158 °F (USCG, 1999)
Flash Point	170 °F (77 °C) (open cup)
Flash Point	77 °C c.c.
Solubility	500.0 mg/mL

Physical description & handling notes

• Methyl acetoacetate appears as a clear colorless liquid. Flash point 158 °F. Denser than water and slightly soluble in water. Vapors heavier than air.
• Liquid
• Colorless liquid; [Hawley]
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• Colorless liquid
• Agreeable odor

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	0.6% (12 / 1934)

GHS Hazard Classification

GHS notification summary	0.6% (12 / 1934)
Reported hazard statements	H319, H227, H336

Documented Uses

• Used for organic synthesis and as solvent for cellulose ethers; [HSDB]
• Solvent for cellulose ethers; component of solvent mixtures for cellulose esters; chemical intermediate for org compounds.
• Used in synthesis of nifedipine.
• Principal outlets for MAA are the manufacture of the organophosphorus insecticide diazinon and the uracil herbicides bromacil and terbacil.
• ... Amine protecting agent in the manufacture of antibiotics and synthetic sweeteners.
• Reaction of methyl acetate with sodium methoxide

Synonyms

METHYL ACETOACETATE; Methyl 3-oxobutanoate; 105-45-3; Methylacetoacetate; Methyl acetylacetate; Acetoacetic acid methyl ester; Methyl 3-oxobutyrate; 3-Oxobutanoic acid methyl ester; Methyl acetylacetonate; Butanoic acid, 3-oxo-, methyl ester; Acetoacetic methyl ester; 1-Methoxybutane-1,3-dione; Acetoacetic acid, methyl ester; Methylester kyseliny acetoctove; DTXSID9026716; CW4I82QAX1

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl Acetoacetate?

CAS 105-45-3; molecular formula C5H8O3; molecular weight — g/mol.

What other names is Methyl Acetoacetate known by?

METHYL ACETOACETATE, Methyl 3-oxobutanoate, 105-45-3, Methylacetoacetate, Methyl acetylacetate, Acetoacetic acid methyl ester.

What is the regulatory status of Methyl Acetoacetate?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is Methyl Acetoacetate classified as hazardous?

0.6% of GHS notifications report no hazard classification (12 of 1934).

What are the key physical properties of Methyl Acetoacetate?

Boiling Point: 336 to 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 171.7 °C; Boiling Point: 169.00 °C. @ 760.00 mm Hg; Melting Point: -112 °F (USCG, 1999).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.