3-Hexyne-2,5-diol
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 1.0205 g/mL (at 13 °C)
- Melting point
- 69–70 °C
- Boiling point
- 122 °C (at 15 Torr)
- logP
- -0.25Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed12.7% of notifiers
- H301 Toxic if swallowed86.8% of notifiers
- H315 Causes skin irritation65.5% of notifiers
- H317 May cause an allergic skin reaction65% of notifiers
- H318 Causes serious eye damage84.8% of notifiers
- H319 Causes serious eye irritation15.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure65% of notifiers
- H411 Toxic to aquatic life with long lasting effects65% of notifiers
Aggregated from 197 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
3031-66-1SMILES
CC(O)C#CC(C)OInChIKey
KDOWHHULNTXTNS-UHFFFAOYSA-NInChI
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 409184
Work with 3-Hexyne-2,5-diol
Similar compounds
3-Hexyn-2-ol109-50-255 % similar
4-Trimethylsilyl-3-butyn-2-ol6999-19-555 % similar
3-Butyn-2-ol2028-63-950 % similar
(S)-(-)-1-Butyn-3-ol2914-69-450 % similar
(+)-1-Butyn-3-ol42969-65-350 % similar
3-Butyn-2-ol65337-13-550 % similar
Lactonitrile78-97-750 % similar
2-Propanol67-63-033 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.