2,5-Dimethyl-3-hexyne-2,5-diol
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 0.949 g/mL (at 20 °C)
- Melting point
- 95 °C
- Boiling point
- 205 °C (at 759 Torr)
- logP
- 0.53Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H317 May cause an allergic skin reaction39.4% of notifiers
- H319 Causes serious eye irritation61.1% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled24% of notifiers
Aggregated from 175 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, P501
Identifiers
CAS number
142-30-3SMILES
CC(C)(O)C#CC(C)(C)OInChIKey
IHJUECRFYCQBMW-UHFFFAOYSA-NInChI
InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 3-Hexyne-2,5-diol, 2,5-dimethyl-
- D 43
- Kemitracin 50
- 2,5-Dihydroxy-2,5-dimethyl-3-hexyne
- 2,5-Dimethyl-2,5-dihydroxy-3-hexyne
- 2,5-Dimethyl-3-hexyn-2,5-diol
- Tetramethyl-2-butynediol
- Tetramethyl-2-butyne-1,4-diol
- Olfine Y
- NSC 117261
- NSC 8340
Work with 2,5-Dimethyl-3-hexyne-2,5-diol
Similar compounds
2,7-Dimethylocta-3,5-diyne-2,7-diol5929-72-673 % similar
2-Methylbut-3-yn-2-ol115-19-550 % similar
Acetone cyanohydrin75-86-550 % similar
5-Dimethylamino-2-methyl-3-pentyn-2-ol25400-83-348 % similar
4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-635 % similar
3,6-Dimethyl-4-octyne-3,6-diol78-66-032 % similar
tert-Butyl alcohol75-65-031 % similar
Pinacol76-09-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.