chempirical

Isobutyl salicylate

C11H14O3CAS 87-19-4194.23 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
5.9 °C
Boiling point
261 °C
logP
2.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
87-19-4
SMILES
CC(C)COC(=O)c1ccccc1O
InChIKey
PTXDBYSCVQQBNF-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-, 2-methylpropyl ester
  • Salicylic acid, isobutyl ester
  • Isobutyl o-hydroxybenzoate
  • 2-Isobutoxycarbonylphenol
  • NSC 62140
  • Isobutyl 2-hydroxybenzoate
  • 2-Methylpropyl 2-hydroxybenzoate

Work with Isobutyl 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

Diisobutyl phthalate84-69-576 % similar Isoamyl salicylate87-20-774 % similar Propyl salicylate607-90-966 % similar Ethyl salicylate118-61-665 % similar Isobutyl anthranilate7779-77-364 % similar Phenethyl salicylate87-22-962 % similar Amyl salicylate2050-08-061 % similar Isopropyl salicylate607-85-261 % 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 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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