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Basic information
- CAS
2919-05-3- Standard SMILES
C=CC#CCO- InChIKey
NUFXLGXWZFVTSU-UHFFFAOYSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.1 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- Pent-4-en-2-yn-1-ol
- IUPAC
- pent-4-en-2-yn-1-ol
- English name
- pent-4-en-2-yn-1-ol
- Molecular formula
- C5H6O
- Molecular weight
- 82.1
Names & synonyms
Pent-4-en-2-yn-1-ol2919-05-3EINECS 220-857-6DTXSID00183443RefChem:859651DTXCID10105934220-857-6vinylethynylcarbinolSCHEMBL7032119NUFXLGXWZFVTSU-UHFFFAOYSA-NCS-0232459NS00048302
Show more names
4-Penten-2-yn-1-ol5-Hydroxy-1-pentene-3-yne
EN300-1272625
Database identifiers
- CAS
2919-05-3- PubChem CID
- 76217
- DTXSID
DTXSID00183443- EC Number
- 220-857-6
- Nikkaji
- J306.848J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- Boiling point
- 114.95 °C · 114.95°C (rough estimate)
- Density
- 0.9427 · 0.9427
- refractive index
- 1.4986 · 1.4986
- pka
- 12.8 · 12.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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