chempirical

Glycol salicylate

C9H10O4CAS 87-28-5182.17 g/mol

Open in Covalent MOL file
OOHOHO
AlcoholEsterPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Density
1.2563 g/mL (at 20 °C)
Melting point
37 °C
Boiling point
169–172 °C (at 12 Torr)
logP
0.54Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
87-28-5
SMILES
O=C(OCCO)c1ccccc1O
InChIKey
LVYLCBNXHHHPSB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzoic acid, 2-hydroxy-, 2-hydroxyethyl ester
  • Salicylic acid, 2-hydroxyethyl ester
  • Ethylene glycol, monosalicylate
  • GL 7
  • Ethylene glycol salicylate
  • Glycol monosalicylate
  • Glysal
  • 2-Hydroxyethyl salicylate
  • Monoglycol salicylate
  • Spirosal
  • β-Hydroxyethyl salicylate
  • Espirosal
  • Rheumacyl
  • Sarocol
  • 2-Hydroxyethyl 2-hydroxybenzoate
  • Norgesic
  • Saliment

Work with Glycol 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propyl salicylate607-90-969 % similar Phenethyl salicylate87-22-969 % similar Butyl salicylate2052-14-466 % similar Amyl salicylate2050-08-064 % similar Isoamyl salicylate87-20-764 % similar Ethyl salicylate118-61-664 % similar Hexyl salicylate6259-76-363 % similar N-Octyl salicylate6969-49-963 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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