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Ethyl butyrate information


Ethyl butyrate
Names
Preferred IUPAC name
Ethyl butanoate
Other names
Butanoic acid ethyl ester
Ethyl butyrate
Butyric acid ethyl ester
Ethyl n-butanoate
Ethyl n-butyrate
Butyric ether
UN 1180
Identifiers
CAS Number
  • 105-54-4 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:88764 checkY
ChEMBL
  • ChEMBL44800 checkY
ChemSpider
  • 7475 checkY
ECHA InfoCard 100.003.007 Edit this at Wikidata
EC Number
  • 203-306-4
PubChem CID
  • 7762
UNII
  • UFD2LZ005D checkY
CompTox Dashboard (EPA)
  • DTXSID6040111 Edit this at Wikidata
InChI
  • InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 checkY
    Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N checkY
  • InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
    Key: OBNCKNCVKJNDBV-UHFFFAOYAO
SMILES
  • CCCC(=O)OCC
Properties[1]
Chemical formula
C6H12O2
Molar mass 116.160 g·mol−1
Appearance Colorless liquid with fruity odor (typically pineapple)
Density 0.879 g/cm3
Melting point −93 °C (−135 °F; 180 K)
Boiling point 120–121 °C (248–250 °F; 393–394 K)
Solubility in water
Soluble in 150 parts
Vapor pressure 1510 Pa (11.3 mmHg)
Magnetic susceptibility (χ)
−77.7×10−6 cm3/mol
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 26 °C; 78 °F; 299 K c.c.
Autoignition
temperature
463 °C (865 °F; 736 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)
1350 mg/kg (oral, rat)[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Ethyl butyrate, also known as ethyl butanoate, or butyric ether, is an ester with the chemical formula CH3CH2CH2COOCH2CH3. It is soluble in propylene glycol, paraffin oil, and kerosene. It has a fruity odor, similar to pineapple, and is a key ingredient used as a flavor enhancer in processed orange juices.[1] It also occurs naturally in many fruits, albeit at lower concentrations.[2]

  1. ^ a b c Merck Index, 12th Edition, 3822
  2. ^ Schieberle, H.-D. Belitz, W. Grosch, P. (2009). Food chemistry (4th rev. and extended ed.). Berlin: Springer. ISBN 9783540699330.{{cite book}}: CS1 maint: multiple names: authors list (link)

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