CAS 2834-00-6 2-Pentadecyn-1-ol (HCID 534429)

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Basic information

CAS: 2834-00-6
Standard SMILES: CCCCCCCCCCCCC#CCO
InChIKey: PFHRFJSUAGQBFE-UHFFFAOYSA-N
Molecular formula: C15H28O
Average molar mass: 224.38 g/mol
Monoisotopic mass: 224.21401551

Names & identifiers

Preferred name: 2-Pentadecyn-1-ol
IUPAC: pentadec-2-yn-1-ol
English name: 2-Pentadecyn-1-ol
Molecular formula: C15H28O
Molecular weight: 224.38

Names & synonyms

2-Pentadecyn-1-olpentadec-2-yn-1-ol2834-00-6DTXSID30274156RefChem:88962DTXCID00196558PFHRFJSUAGQBFE-UHFFFAOYSA-N2-pentadecynol2- pentadecyn-1-ol2-pentadecynyl alcoholSCHEMBL1537343

Database identifiers

CAS: 2834-00-6
PubChem CID: 534429
DTXSID: DTXSID30274156
Nikkaji: J108.667G

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 16
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 38.9 °C · 38.9°C (estimate)
Boiling point: 335.8 °C · 335.8°C (rough estimate)
Density: 0.82 · 0.8200 (estimate)
refractive index: 1.4656 · 1.4656 (estimate)
pka: 12.99 · 12.99±0.10(Predicted)

Safety & regulation

Hazard information

Regulatory Information2-Pentadecyn-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.