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Molecule
Propargyl Alcohol
CAS: 107-19-7 · C3H4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 107-19-7
- Molecular Formula
- C3H4O
- Molecular Mass
- 56.06 g/mol
Identifiers
CAS Registry Number
107-19-7
SMILES
C#CCO
InChI Key
TVDSBUOJIPERQY-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
Names and Synonyms
- Propargyl Alcohol Common Name
- 2-Propyn-1-ol Synonym
- Propargyl alcohol Synonym
- 1-Propyn-3-ol Synonym
- Propynyl alcohol Synonym
- 1-Hydroxy-2-propyne Synonym
- 3-Hydroxy-1-propyne Synonym
- 2-Propynol Synonym
- 2-Propynyl alcohol Synonym
- Ethynylcarbinol Synonym
- 3-Propynol Synonym
- 1-Propyn-3-yl alcohol Synonym
- Hydroxymethylacetylene Synonym
- NSC 8804 Synonym
- 3-Hydroxypropyne Synonym
- Propiolic alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 56.06 g/mol | CAS Common Chemistry |
| 56.064 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9715 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propargyl_alcohol | CAS Common Chemistry |
| Canonical SMILES | C#CCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TVDSBUOJIPERQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -52--48 °C | CAS Common Chemistry |
| Name | Propargyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.3881 | RDKit |
| Molar Refractivity | 15.918800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 56.026214748 g/mol | RDKit |
| Boiling Point | 20 °C @ 11.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 56.06 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
