Cyclohexanecarboxylic acid, 3-methylbutyl ester

CAS Registry Number®

25183-19-1

CAS Name

Cyclohexanecarboxylic acid, 3-methylbutyl ester

Molecular Formula

C12H22O2

Molecular Mass

198.30

Cite this Page

Cyclohexanecarboxylic acid, 3-methylbutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25183-19-1 (retrieved 2024-10-02) (CAS RN: 25183-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    247 °C

  • Density (1)

    0.934 g/cm³ @ Temp: 13 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3

InChIKey

InChIKey=VLALRUKXGDUQFX-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(=O)C1CCCCC1

Canonical SMILES

O=C(OCCC(C)C)C1CCCCC1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-methylbutyl ester
  • Cyclohexanecarboxylic acid, isopentyl ester
  • Isopentyl alcohol, cyclohexanecarboxylate
  • Isopentyl cyclohexanecarboxylate
  • 3-Methylbutyl cyclohexanecarboxylate

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