6,6-Dimethyl-1-hepten-4-yn-3-ol
Properties
- Molecular formula
- C9H14O
- Molar mass
- 138.21 g/mol
- Exact mass
- 138.1045 Da
- logP
- 1.58Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H227 Combustible liquid50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H320 Causes eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
- H400 Very toxic to aquatic life50% of notifiers
- H401 Toxic to aquatic life50% of notifiers
- H410 Very toxic to aquatic life with long lasting effects50% of notifiers
- H411 Toxic to aquatic life with long lasting effects50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P501
Identifiers
CAS number
78629-20-6SMILES
C=CC(O)C#CC(C)(C)CInChIKey
MOWPBNFGGOHZRW-UHFFFAOYSA-NInChI
InChI=1S/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1-Hepten-4-yn-3-ol, 6,6-dimethyl-
- 6,6-Dimethylhept-1-ene-4-yne-3-ol
- 3-Hydroxy-6,6-dimethylhept-1-ene-4-yne
- 6,6-Dimethylhept-1-en-4-yn-3-ol
Work with 6,6-Dimethyl-1-hepten-4-yn-3-ol
Similar compounds
Falcarindiol55297-87-536 % similar
Falcarinol21852-80-233 % similar
3-Buten-2-ol598-32-331 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.