Propargyl Alcohol

CAT: 0572-TRC-P762550-250MLSize: 250 mLDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-P762550-250MLSize:250 mL

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CAS Number

107-19-7

Synonyms

1-Hydroxy-2-propyne; 1-Propyn-3-ol; 1-Propyn-3-yl alcohol; 2-Propynol; 2-Propynyl alcohol; 3-Hydroxy-1-propyne; 3-Hydroxypropyne; 3-Propynol; Ethynylcarbinol; Hydroxymethylacetylene; NSC 8804; Propargyl alcohol; Propynyl alcohol

Hazard Statement

Flammable liquid and vapour; UN number: UN2929; Packing Group: I

Purity

>95% (GC)

Smiles

OCC#C

Molecular Formula

C3 H4 O

Molecular Weight

56.06

InChI

InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2

Additionnal Information

IUPAC name: prop-2-yn-1-ol

Shipping Conditions

Room Temperature

Storage Conditions

+20°C

Chemical Information

Propargyl alcohol

Prop-2-yn-1-ol is a terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. It has a role as an antifungal agent and a Saccharomyces cerevisiae metabolite. It is a volatile organic compound, a propynol and a terminal acetylenic compound.

CAS Number	107-19-7
PubChem CID	7859
IUPAC Name	prop-2-yn-1-ol
Molecular Formula	C3H4O
Molecular Weight	56.06
XLogP	-0.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	38

SMILES

C#CCO

InChI

InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2

InChIKey

TVDSBUOJIPERQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-19-7

CID: 7859

Formula: C3H4O

MW: 56.06

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	56.06
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	56.026214747
Monoisotopic Mass	56.026214747
Topological Polar Surface Area	20.2 Å²
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

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