2-Propyn-1-ol

2-Propyn-1-ol
Compound Structure:
Synonyms: PROPARGYL ALCOHOL;Prop-2-yn-1-ol;107-19-7;2-Propyn-1-ol;2-Propynyl alcohol;Ethynylcarbinol;1-Propyn-3-ol;Ethynyl carbinol;Methanol, ethynyl-;Propynyl alcohol;2-Propynol;3-Propynol;1-Hydroxy-2-propyne;3-Hydroxy-1-propyne;Acetylenylcarbinol
Compound ID: NMPC-287
PubChem ID:

7859
Molecular Formula: C3H4O
Canonical SMILES: C#CCO
InChIKey: TVDSBUOJIPERQY-UHFFFAOYSA-N
About the compound:

Propargyl alcohol, also known as 2-propyn-1-ol, is a terminal acetylenic compound with the chemical formula HC≡CCH2OH. It appears as a clear colorless liquid with a geranium-like odor. It has a flash point of 97 °F and its vapors are heavier than air. Propargyl alcohol is used in the production of other chemicals, serves as a corrosion inhibitor, and is used as a soil fumigant. It also has applications as an antifungal agent and is produced as a metabolite by the yeast Saccharomyces cerevisiae.

GHS Hazard Statements     

•           H226: Flammable liquid and vapor [Warning Flammable liquids]

•           H301: Toxic if swallowed [Danger Acute toxicity, oral]

•           H311: Toxic in contact with skin [Danger Acute toxicity, dermal]

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

•           H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

•           H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

56.06 g/mol

XLogP3

-0.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

56.026214747 g/mol

Monoisotopic Mass

56.026214747 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

4

Formal Charge

0

Complexity

38.5

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

Propargyl alcohol appears as a clear colorless liquid with a geranium-like odor. Flash point 97 °F. Vapors are heavier than air. Used to make other chemicals, as a corrosion inhibitor and a soil fumigant.

Boiling Point

236.5 °F at 760 mmHg (NTP, 1992)

Melting Point

-54 °F (NTP, 1992)

 

Density

0.9485 at 68 °F (USCG, 1999)

Solubility 

Miscible with benzene, chloroform, ethanol, 1,2-dichloroethane, ether, acetone, dioxane, tetrahydrofuran, pyridine; moderately sol in carbon tetrachloride

Vapor Pressure

12 mmHg (NIOSH, 2022)

Source: PubChem
Source Species: Artocarpus altilis.
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