Butyl butyrate

Butyl butyrate[1]
Ball-and-stick model of the butyl butyrate molecule
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 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:87429 ☒N
ChemSpider
  • 7694 checkY
ECHA InfoCard 100.003.325 Edit this at Wikidata
EC Number
  • 203-656-8
PubChem CID
  • 7983
RTECS number
  • ES8120000
UNII
  • 1BHV00T1M4 checkY
UN number 3082
CompTox Dashboard (EPA)
  • DTXSID7041702 Edit this at Wikidata
InChI
  • InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 checkY
    Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N checkY
  • InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
    Key: XUPYJHCZDLZNFP-UHFFFAOYAI
  • 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
 GHS02: Flammable
Warning
H226
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
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).
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Infobox references
Chemical compound

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

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