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Substance Name: Propanoic acid, 2-methyl-, cyclohexyl ester
RN: 1129-47-1
InChIKey: IYYXBWAISHVFEX-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.25
 
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Names and Synonyms

Synonyms

  • Cyclohexyl isobutyrate
  • EINECS 214-448-1
  • NSC 53788

Systematic Names

  • Cyclohexyl isobutyrate
  • Propanoic acid, 2-methyl-, cyclohexyl ester

Registry Numbers

CAS Registry Number

  • 1129-47-1

System Generated Number

  • 0001129471

Structure Descriptors

InChI

1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

IYYXBWAISHVFEX-UHFFFAOYSA-N

Smiles

O=C(OC1CCCCC1)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 204 deg C   EXP
log P (octanol-water) 3.550 (none)   EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

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