Piroctone olamine
Properties
- Molecular formula
- C16H30N2O3
- Molar mass
- 298.43 g/mol
- Exact mass
- 298.2256 Da
- logP
- 1.95Crippen estimate
- Polar surface area
- 88.5 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 4
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage99.6% of notifiers
- H335 May cause respiratory irritation15.6% of notifiers
- H400 Very toxic to aquatic life13.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects11.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects78.2% of notifiers
Aggregated from 243 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
68890-66-4SMILES
Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCOInChIKey
BTSZTGGZJQFALU-UHFFFAOYSA-NInChI
InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)
- Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1)
- Octopirox
- 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt
- Piroctone ethanolamine salt
- Octopyrox
Work with Piroctone olamine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.