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Isobutyl formate

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Isobutyl formate
Ball and stick model of isobutyl formate
Names
Preferred IUPAC name 2-Methylpropyl formate
Other names Isobutyl formate
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.008.017 Edit this at Wikidata
EC Number
  • 208-818-1
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3Key: AVMSWPWPYJVYKY-UHFFFAOYSA-N
SMILES
  • O=COCC(C)C
Properties
Chemical formula C5H10O2
Molar mass 102.133 g·mol
Density 0.885 g/mL
Melting point −96 °C (−141 °F; 177 K)
Boiling point 98.4 °C (209.1 °F; 371.5 K)
Hazards
GHS labelling:
Pictograms GHS02: FlammableGHS07: Exclamation mark
Signal word Danger
Hazard statements H225, H319, H335
Precautionary statements P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, P501
Flash point 10 °C (50 °F; 283 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Isobutyl formate (2-methylpropyl methanoate) is an organic ester with the chemical formula C5H10O2. It is formed by the Fischer esterification of isobutanol with formic acid, with the aid of an acid catalyst. It is used as a flavor and fragrance ingredient because of its odor which is sweet, ethereal, and slightly fruity.

References

  1. Isobutyl formate at Sigma-Aldrich
  2. Isobutyl formate, The Good Scents Company
  3. Mosciano, Gerard; Sadural, S; Fasano, M; Michalski, J (1989). "Les propriétés organoleptiques des substances aromatisantes" [Organoleptic characteristics of flavor materials]. Perfumer & Flavorist. 14 (6): 47–55.


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