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Pentyl butyrate

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Pentyl butyrate
Pentyl butyrate
Names
Preferred IUPAC name Pentyl butanoate
Other names Pentyl butyrate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.007.946 Edit this at Wikidata
EC Number
  • 208-739-2
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3Key: CFNJLPHOBMVMNS-UHFFFAOYSA-N
  • InChI=1/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3Key: CFNJLPHOBMVMNS-UHFFFAOYAQ
SMILES
  • CCCCCOC(=O)CCC
Properties
Chemical formula C9H18O2
Molar mass 158.24 g/mol
Odor Apricot
Density 0.86 g/cm
Melting point −73.2 °C (−99.8 °F; 200.0 K)
Boiling point 186 °C (367 °F; 459 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Chemical compound

Pentyl butyrate, also known as pentyl butanoate or amyl butyrate, is an ester that is formed when pentanol is reacted with butyric acid, usually in the presence of sulfuric acid as a catalyst. This ester has a smell reminiscent of pear or apricot. This chemical is used as an additive in cigarettes.

References

  1. N-AMYL BUTYRATE, Cameo Chemicals, National Oceanic and Atmospheric Administration
Esters
Methyl esters
Ethyl esters
Propyl esters
Butyl esters
Amyl esters
Hexyl esters
Phenyl esters
Heptyl esters
Benzyl esters
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