Benzoic acid, 4-methoxy-, 3-methylbutyl ester

CAS Registry Number®

27739-29-3

CAS Name

Benzoic acid, 4-methoxy-, 3-methylbutyl ester

Molecular Formula

C13H18O3

Molecular Mass

222.28

Cite this Page

Benzoic acid, 4-methoxy-, 3-methylbutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27739-29-3 (retrieved 2024-11-22) (CAS RN: 27739-29-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    188 °C @ Press: 30 Torr

  • Density (1)

    1.040 g/cm³ @ Temp: 16.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3

InChIKey

InChIKey=FVMBSMBXEVMMGH-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(=O)C1=CC=C(OC)C=C1

Canonical SMILES

O=C(OCCC(C)C)C1=CC=C(OC)C=C1

Other Names for this Substance

  • Benzoic acid, 4-methoxy-, 3-methylbutyl ester
  • p-Anisic acid, isopentyl ester
  • Isopentyl alcohol, p-anisate
  • 3-Methylbutyl 4-methoxybenzoate
  • Isopentyl 4-methoxybenzoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration