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Substance Name: Acetomeroctol
RN: 584-18-9
UNII: W8OY9Y1132
InChIKey: YEWQCWVEXRSMSB-UHFFFAOYSA-M

Molecular Formula

  • C16-H24-Hg-O3

Molecular Weight

  • 464.953
 
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Names and Synonyms

Name of Substance

  • Acetomeroctol

Synonyms

  • Acetomeroctol
  • EINECS 209-534-0
  • UNII-W8OY9Y1132

Systematic Name

  • 2-Hydroxy-5-(1,1,3,3-tetramethylbutyl)phenylmercury acetate

Registry Numbers

CAS Registry Number

  • 584-18-9

FDA UNII

  • W8OY9Y1132

System Generated Number

  • 0000584189

Structure Descriptors

InChI

1S/C14H21O.C2H4O2.Hg/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2(3)4;/h6-8,15H,10H2,1-5H3;1H3,(H,3,4);/q;;+1/p-1

InChIKey

YEWQCWVEXRSMSB-UHFFFAOYSA-M

Smiles

c1(cc(c(O)cc1)[Hg]OC(C)=O)C(CC(C)(C)C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158 deg C   EXP
log P (octanol-water) 4.170 (none)   EST
Atmospheric OH Rate Constant 4.24E-11 cm3/molecule-sec 25 EST

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