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Substance Name: Butyl salicylate
RN: 2052-14-4
UNII: QPR9LM8VZO
InChIKey: YFDUWSBGVPBWKF-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.2286
 
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Names and Synonyms

Name of Substance

  • Butyl salicylate

Synonyms

  • 4-10-00-00153 (Beilstein Handbook Reference)
  • AI3-00512
  • Benzoic acid, 2-hydroxy-, butyl ester
  • BRN 2208904
  • Butyl (2-hydroxyphenyl)formate
  • Butyl 2-hydroxybenzoate
  • Butyl o-hydroxybenzoate
  • Butyl salicylate
  • EINECS 218-142-9
  • FEMA No. 3650
  • n-Butyl o-hydroxybenzoate
  • n-Butyl salicylate
  • NSC 1511
  • NSC 403676
  • Salicylic acid, butyl ester
  • UNII-QPR9LM8VZO

Systematic Names

  • Benzoic acid, 2-hydroxy-, butyl ester
  • Butyl salicylate
  • Salicylic acid, butyl ester

Superlist Name

  • Butyl salicylate

Registry Numbers

CAS Registry Number

  • 2052-14-4

FDA UNII

  • QPR9LM8VZO

System Generated Number

  • 0002052144

Structure Descriptors

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

InChIKey

YFDUWSBGVPBWKF-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1ccccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1700mg/kg (1700mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 663, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.90E+00 deg C   EXP
Boiling Point 271 deg C   EXP
log P (octanol-water) 4.63 (none)   EXP
Water Solubility 19.8 mg/L 25 EST
Vapor Pressure 1.86E-04 mm Hg 25 EST
Henry's Law Constant 1.06E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.