CAS Registry Number®
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
- 3-Pyridinecarboxylic acid, hexyl ester
- Nicotinic acid, hexyl ester
- Hexyl nicotinate
- Nicotherm
- Hexyl 3-pyridinecarboxylate
- n-Hexyl nicotinate
- Nicotinic acid n-hexyl ester
- NSC 72758