chempirical

Propyl salicylate

C10H12O3CAS 607-90-9180.20 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
97 °C
Boiling point
239 °C
logP
1.96Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
607-90-9
SMILES
CCCOC(=O)c1ccccc1O
InChIKey
LZFIOSVZIQOVFW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-, propyl ester
  • Salicylic acid, propyl ester
  • Propyl o-hydroxybenzoate
  • n-Propyl salicylate
  • NSC 8221

Work with Propyl 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

Butyl salicylate2052-14-483 % similar Amyl salicylate2050-08-081 % similar Hexyl salicylate6259-76-378 % similar N-Octyl salicylate6969-49-978 % similar Dipropyl phthalate131-16-875 % similar Ethyl salicylate118-61-671 % similar Glycol salicylate87-28-569 % similar Phenethyl salicylate87-22-968 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook