Butyl butyrate

Butyl butyrate^[1]
Names
	Preferred IUPAC name Butyl butanoate
	Other names Butyl butyrate; 1-Butyl butyrate; n-Butyl butyrate; n-Butyl n-butyrate; Butanoic acid butyl ester; Butyric acid butyl ester; n-Butyl butanoate
Identifiers
CAS Number	109-21-7 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:87429 ;
ChemSpider	7694 ;
ECHA InfoCard	100.003.325
EC Number	203-656-8;
PubChem CID	7983;
RTECS number	ES8120000;
UNII	1BHV00T1M4 ;
UN number	3082
CompTox Dashboard (EPA)	DTXSID7041702 ;
	InChI InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N ; InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 Key: XUPYJHCZDLZNFP-UHFFFAOYAI;
	SMILES CCCC(=O)OCCCC;
Properties
Chemical formula	C8H16O2
Molar mass	144.214 g·mol−1
Density	0.8692 g/cm3 at 20 °C
Melting point	−91.5 °C (−132.7 °F; 181.7 K)
Boiling point	165 °C (329 °F; 438 K)
Solubility in water	insoluble
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226
Precautionary statements	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)	1 2 0
Flash point	49 °C (120 °F; 322 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Butyl butyrate, or butyl butanoate, is an organic compound that is an ester formed by the condensation of butyric acid and n-butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C.

Aroma

Like other volatile esters, butyl butyrate has a pleasant aroma. It is used in the flavor industry to create sweet fruity flavors that are similar to that of pineapple. It occurs naturally in many kinds of fruit including apple, banana, berries, pear, plum, and strawberry.

Safety

It is a marine pollutant.^[2] It mildly irritates the eyes and skin.^[2]

References

^ The Merck Index, 12th Edition, 1591
^ ^a ^b BUTYL BUTYRATE, at the site cameochemicals.noaa.gov

[1] The Merck Index, 12th Edition, 1591

[gov.usa-2] BUTYL BUTYRATE, at the site cameochemicals.noaa.gov

[1]

[2]

Names


Preferred IUPAC name Butyl butanoate
Other names Butyl butyrate 1-Butyl butyrate n-Butyl butyrate n-Butyl n-butyrate Butanoic acid butyl ester Butyric acid butyl ester n-Butyl butanoate
Identifiers
CAS Number	109-21-7^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:87429^N
ChemSpider	7694^Y
ECHA InfoCard	100.003.325
EC Number	203-656-8
PubChem CID	7983
RTECS number	ES8120000
UNII	1BHV00T1M4^Y
UN number	3082
CompTox Dashboard (EPA)	DTXSID7041702
InChI InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3^Y Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N^Y InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 Key: XUPYJHCZDLZNFP-UHFFFAOYAI
SMILES CCCC(=O)OCCCC
Properties
Chemical formula	C₈H₁₆O₂
Molar mass	144.214 g·mol⁻¹
Density	0.8692 g/cm³ at 20 °C
Melting point	−91.5 °C (−132.7 °F; 181.7 K)
Boiling point	165 °C (329 °F; 438 K)
Solubility in water	insoluble
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226
Precautionary statements	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)	1 2 0
Flash point	49 °C (120 °F; 322 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references