Methyl acetate

Methyl acetate
Compound Structure:
Synonyms: Methyl acetate; Methyl ethanoate; Tereton; Acetic acid, methyl ester; Devoton; Acetic acid methyl ester; Methylacetat; Acetate de methyle; Methylacetaat; Methyl acetic ester; Octan metylu; Methylester kiseliny octove; Ethyl ester of monoacetic acid
Compound ID: NMPC-1246
PubChem ID:

6584
Molecular Formula: C3H6O2
Canonical SMILES: CC(=O)OC
InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

• H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

First Aid

• For eye exposure, remove contact lenses, flush with water or saline, and immediately transport to a hospital, even without symptoms.

• If on skin, flood with water, wash with soap, and seek medical help for symptoms.

• In case of inhalation, move to fresh air, use respiratory protection, and seek medical attention for symptoms.

• If swallowed, do not induce vomiting. Provide water if conscious, and immediately transport to a hospital, avoiding oral intake if convulsing or unconscious due to the risk of aspiration (NTP, 1992). 

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

74.08 g/mol

XLogP3

0.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

74.036779430 g/mol

Monoisotopic Mass

74.036779430 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

5

Formal Charge

0

Complexity

40.2

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Methyl acetate appears as a clear colorless liquid with a fragrant odor. Moderately toxic. Flash point 14 °F. Vapors heavier than air.

Boiling Point

56.7 °C

Melting Point

-98.2 °C

Density

0.927-0.932

Solubility 

miscible with alcohol, ether; soluble in water

Vapor Pressure

2.8

Source: PubChem
Source Species: Artocarpus altilis.
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