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Substance Name: p-tert-Butylphenyl salicylate
RN: 87-18-3
UNII: V0H9R55TGV
InChIKey: DBOSBRHMHBENLP-UHFFFAOYSA-N

Note

  • Has anti-inflammatory activity.

Molecular Formula

  • C17-H18-O3

Molecular Weight

  • 270.3262
 
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Names and Synonyms

Results Name

  • p-tert-Butylphenyl salicylate

Name of Substance

  • 4-tert-Butylphenyl salicylate

Synonyms

  • 3-10-00-00133 (Beilstein Handbook Reference)
  • 4-tert-Butylphenyl salicylate
  • Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester
  • BRN 2130191
  • EINECS 201-728-3
  • NSC 33404
  • p-terc.Butylfenylester kyseliny salicylove
  • p-terc.Butylfenylester kyseliny salicylove [Czech]
  • p-tert-Butylphenyl salicylate
  • Salicyclic acid p-tert-butylphenyl ester
  • Seesorb 202
  • Sumisorb 90
  • UNII-V0H9R55TGV
  • UV Absorber NL 3
  • Viosorb 90

Systematic Names

  • 4-tert-Butylphenyl salicylate
  • Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester
  • Salicylic acid, p-tert-butylphenyl ester

Registry Numbers

CAS Registry Number

  • 87-18-3

FDA UNII

  • V0H9R55TGV

Other Registry Numbers

  • 138464-71-8
  • 146480-26-4
  • 68027-19-0

System Generated Number

  • 0000087183

Structure Descriptors

InChI

1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3

InChIKey

DBOSBRHMHBENLP-UHFFFAOYSA-N

Smiles

CC(C)(C)c1ccc(cc1)OC(=O)c2ccccc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2900mg/kg (2900mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 672, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 62 deg C   EXP
log P (octanol-water) 5.730 (none)   EST
Atmospheric OH Rate Constant 3.42E-11 cm3/molecule-sec 25 EST

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