Amyl salicylate
Properties
- Molecular formula
- C12H16O3
- Molar mass
- 208.26 g/mol
- Exact mass
- 208.1099 Da
- Density
- 1.0552 g/mL (at 27 °C)
- Boiling point
- 270 °C
- logP
- 2.74Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed17.6% of notifiers
- H400 Very toxic to aquatic life19.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects23.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects76.4% of notifiers
Aggregated from 1,869 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P273, P301+P317, P330, P391, P501
Identifiers
CAS number
2050-08-0SMILES
CCCCCOC(=O)c1ccccc1OInChIKey
RANVDUNFZBMTBK-UHFFFAOYSA-NInChI
InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzoic acid, 2-hydroxy-, pentyl ester
- Salicylic acid, pentyl ester
- Salicylic acid, amyl ester
- Pentyl salicylate
- NSC 403668
- NSC 44877
- NSC 46125
- 2-Hydroxybenzoic acid pentyl ester
Work with Amyl salicylate
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
Hexyl salicylate6259-76-397 % similar
n-Octyl salicylate6969-49-997 % similar
Butyl salicylate2052-14-491 % similar
Propyl salicylate607-90-981 % similar
Dipentyl phthalate131-18-077 % similar
Di-n-octyl phthalate117-84-075 % similar
Diheptyl phthalate3648-21-375 % similar
Dihexyl phthalate84-75-375 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds