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Substance Name: Benzoic acid, 2-hydroxy-, 3-methyl-2-buten-1-yl ester
RN: 68555-58-8
InChIKey: MCAYDAOGSVHGEE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.24
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-butenyl salicylate
  • Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester
  • EINECS 271-434-8
  • Prenyl salicylate

Systematic Names

  • 2-Buten-1-ol, 3-methyl-, salicylate
  • 3-Methyl-2-butenyl salicylate
  • Benzoic acid, 2-hydroxy-, 3-methyl-2-buten-1-yl ester
  • Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester

Registry Numbers

CAS Registry Number

  • 68555-58-8

System Generated Number

  • 0068555588

Structure Descriptors

InChI

1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3

InChIKey

MCAYDAOGSVHGEE-UHFFFAOYSA-N

Smiles

c1(C(OC\C=C(/C)C)=O)c(cccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 821, 1982.
rat LD50 oral 3200mg/kg (3200mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 821, 1982.