Isobutyl benzoate[苯甲酸异丁酯]

120-50-3

CAS Name

Isobutyl benzoate

Molecular Formula

C₁₁H₁₄O₂

Molecular Mass

178.23

Compound Properties

• Boiling Point (1)

  242 °C

• Density (2)

  1.023 g/cm³ @ Temp: 23 °C

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (2) Post, Howard W.; Journal of Organic Chemistry, (1936), 1, 231-5, CAplus

Other Names and Identifiers

InChI

InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

InChIKey=KYZHGEFMXZOSJN-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCC(C)C)C=1C=CC=CC1

Other Names for this Substance