3-Hexyn-1-ol
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.14 g/mol
- Exact mass
- 98.0732 Da
- Density
- 0.8967 g/mL (at 15 °C)
- Melting point
- 163 °C
- Boiling point
- 163 °C
- logP
- 0.78Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.3% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1002-28-4SMILES
CCC#CCCOInChIKey
ODEHKVYXWLXRRR-UHFFFAOYSA-NInChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- 3-Hexynol
Work with 3-Hexyn-1-ol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Heptyn-1-ol14916-79-162 % similar
3-Octyn-1-ol14916-80-457 % similar
3,9-Dodecadiyne61827-89-255 % similar
Non-3-yn-1-ol31333-13-854 % similar
3-Hexyne928-49-453 % similar
Hept-3-yne2586-89-252 % similar
2-Pentyn-1-ol6261-22-952 % similar
3-Decyn-1-ol51721-39-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.