chempirical

Butyl salicylate

C11H14O3CAS 2052-14-4194.23 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Density
1.0253 g/mL (at 20 °C)
Melting point
−5.9 °C
Boiling point
271 °C
logP
2.35Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
2052-14-4
SMILES
CCCCOC(=O)c1ccccc1O
InChIKey
YFDUWSBGVPBWKF-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-, butyl ester
  • Salicylic acid, butyl ester
  • Butyl 2-hydroxybenzoate
  • Butyl o-hydroxybenzoate
  • n-Butyl salicylate
  • NSC 1511
  • NSC 403676

Work with Butyl 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

Amyl salicylate2050-08-091 % similar Hexyl salicylate6259-76-389 % similar N-Octyl salicylate6969-49-989 % similar Propyl salicylate607-90-983 % similar Dibutyl phthalate84-74-276 % similar Dipentyl phthalate131-18-069 % similar Di-N-octyl phthalate117-84-068 % similar Ethyl salicylate118-61-668 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

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