3-buten-2-one

3-buten-2-one
Compound Structure:
Synonyms: METHYL VINYL KETONE;3-Buten-2-one;78-94-4;but-3-en-2-one;Butenone;Vinyl methyl ketone;Methylene acetone;2-Butenone;Methylvinylketon;Acetyl ethylene;1-Buten-3-one;3-Butene-2-one;Methyl ethenyl ketone;Methylvinyl ketone;Methylvinylketone
Compound ID: NMPC-339
PubChem ID:

6570
Molecular Formula: C4H6O
Canonical SMILES: CC(=O)C=C
InChIKey: FUSUHKVFWTUUBE-UHFFFAOYSA-N
About the compound:

Methyl vinyl ketone, also known as MVK or butenone, is a naturally occurring compound found in various organisms, including Zingiber mioga and Streptomyces griseoruber. This organic compound has the chemical formula CH3C(O)CH=CH2 and is considered an enone, representing the most basic form of this class of compounds. MVK appears as a clear, colorless liquid with a strong, pungent odor. It is flammable and highly toxic when inhaled, capable of causing skin, eye, and mucous membrane burns. Additionally, it has a low flash point of 20 °F and may polymerize when exposed to heat or contaminants. MVK is less dense than water and can dissolve in both water and polar organic solvents. It serves as a valuable intermediate in the synthesis of other compounds.Buten-2-one, which is related to MVK, is a methyl ketone with a double  bond at position 3 in butan-2-one. It belongs to the class of methyl ketones and enones. Moreover, it shares functional similarities with both butan-2-one and but-1-ene.

GHS Hazard Statements

• H225 (99.34%): Highly Flammable liquid and vapor [Danger Flammable liquids]

• H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

• H310 (44.74%): Fatal in contact with skin [Danger Acute toxicity, dermal]

• H314 (97.37%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H317 (44.08%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H318 (27.63%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H330 (97.37%): Fatal if inhaled [Danger Acute toxicity, inhalation]

• H400 (44.74%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (44.74%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

70.09 g/mol

XLogP3-AA

0.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

70.041864811 g/mol

Monoisotopic Mass

70.041864811 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

5

Formal Charge

0

Complexity

54.7

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 vinyl ketone appears as a clear colorless liquid with a pungent odor. Flash point 20 °F. May polymerize with the release of heat under exposure to heat or contamination. Less dense than water. Highly toxic by inhalation. Causes burns to skin, eyes and mucous membranes

Boiling Point

179 °F at 760 mmHg (EPA, 1998)

 

Melting Point

20 °F (EPA, 1998)

Density

0.8407 to 0.8636 at 68 to 77 °F (EPA, 1998)

Solubility 

Easily sol in methanol, ethanol, ether, acetone, glacial acetic acid; slightly sol in hydrocarbons.

Vapor Pressure

86 mmHg at 72 °F ; 276 mmHg at 124 °F; 661 mmHg at 167 °F (NTP, 1992)

Source: PubChem
Source Species: Garcinia kola
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