Pentyl butyrate

Pentyl butyrate
Names
	Preferred IUPAC name Pentyl butanoate
	Other names Pentyl butyrate
Identifiers
CAS Number	540-18-1 ;
3D model (JSmol)	Interactive image;
ChemSpider	10428 ;
ECHA InfoCard	100.007.946
EC Number	208-739-2;
PubChem CID	10890;
UNII	3Q2JP0VD8J ;
CompTox Dashboard (EPA)	DTXSID4041604 ;
	InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 Key: CFNJLPHOBMVMNS-UHFFFAOYSA-N ; InChI=1/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 Key: CFNJLPHOBMVMNS-UHFFFAOYAQ;
	SMILES CCCCCOC(=O)CCC;
Properties
Chemical formula	C9H18O2
Molar mass	158.24 g/mol
Odor	Apricot
Density	0.86 g/cm3
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 [77 °F], 100 kPa).

Pentyl butyrate, also known as pentyl butanoate or amyl butyrate, is an ester that is formed when pentanol is reacted with butyric acid,^[1] 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

Names

Preferred IUPAC name Pentyl butanoate
Other names Pentyl butyrate
Identifiers
CAS Number	540-18-1
3D model (JSmol)	Interactive image
ChemSpider	10428
ECHA InfoCard	100.007.946
EC Number	208-739-2
PubChem CID	10890
UNII	3Q2JP0VD8J
CompTox Dashboard (EPA)	DTXSID4041604
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 Key: CFNJLPHOBMVMNS-UHFFFAOYSA-N InChI=1/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 Key: CFNJLPHOBMVMNS-UHFFFAOYAQ
SMILES CCCCCOC(=O)CCC
Properties
Chemical formula	C₉H₁₈O₂
Molar mass	158.24 g/mol
Odor	Apricot
Density	0.86 g/cm³
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 [77 °F], 100 kPa).