Hexyl nicotinate

23597-82-2

CAS Name

Hexyl nicotinate

Molecular Formula

C₁₂H₁₇NO₂

Molecular Mass

207.27

Compound Properties

• Boiling Point (1)

  147 °C

• Density (2)

  1.0133 g/cm³ @ Temp: 25 °C

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (2) Badgett, C. O.; Journal of the American Chemical Society, (1945), 67, 1135-8, CAplus

Other Names and Identifiers

InChI

InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3

InChIKey

InChIKey=RVYGVBZGSFLJKH-UHFFFAOYSA-N

SMILES

C(OCCCCCC)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(OCCCCCC)C=1C=NC=CC1

Other Names for this Substance