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Butyl butyrate

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Butyl butyrate
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
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.003.325 Edit this at Wikidata
EC Number
  • 203-656-8
PubChem CID
RTECS number
  • ES8120000
UNII
UN number 3082
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N
  • InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3Key: XUPYJHCZDLZNFP-UHFFFAOYAI
SMILES
  • CCCC(=O)OCCCC
Properties
Chemical formula C8H16O2
Molar mass 144.214 g·mol
Density 0.8692 g/cm 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
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)
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 , 100 kPa). ☒N verify (what is  ?) 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. It mildly irritates the eyes and skin.

References

  1. The Merck Index, 12th Edition, 1591
  2. ^ BUTYL BUTYRATE, at the site cameochemicals.noaa.gov
Esters
Methyl esters
Ethyl esters
Propyl esters
Butyl esters
Amyl esters
Hexyl esters
Phenyl esters
Heptyl esters
Benzyl esters
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