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Substance Name: Thymol acetate
RN: 528-79-0
UNII: 6I29126I5V
InChIKey: WFMIUXMJJBBOGJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Name of Substance

  • Thymol acetate

Synonyms

  • Acetyl thymol
  • Acetylthymol
  • AI3-03427
  • EINECS 208-442-8
  • NSC 406522
  • Thymol acetate
  • Thymyl acetate
  • UNII-6I29126I5V

Systematic Names

  • Phenol, 5-methyl-2-(1-methylethyl)-, 1-acetate
  • Phenol, 5-methyl-2-(1-methylethyl)-, acetate
  • Thymol acetate

Registry Numbers

CAS Registry Number

  • 528-79-0

FDA UNII

  • 6I29126I5V

System Generated Number

  • 0000528790

Structure Descriptors

InChI

1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3

InChIKey

WFMIUXMJJBBOGJ-UHFFFAOYSA-N

Smiles

O=C(Oc1c(ccc(C)c1)C(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 245 deg C   EXP
log P (octanol-water) 3.590 (none)   EST
Atmospheric OH Rate Constant 8.77E-12 cm3/molecule-sec 25 EST

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