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Substrate Report for: 3-methyl-1butylacetate

Name Class
3-methyl-1butylacetateTypeAcetate
Other_Name (5)
Chemical_Nomenclature3-methylbutyl acetate
FormulaC7H14O2
CAS_number123-92-2
MW130.18
Kinetic_parameter3-methyl-1butylacetate_WT_eleel-ACHE
PaperHasan_1980_J.Biol.Chem_255_3898
CommentIsoamyl acetate is the acetate ester of isoamylol. Isopentyl acetate is found in apple. Isopentyl acetate is present in many fruit aromas, especially banana. Isopentyl acetate is used in banana flavouring. Isoamyl acetate has a strong odor (similar to Juicy Fruit or a pear drop) which is also described as similar to both banana and pear. Banana oil is a term that is applied either to pure isoamyl acetate or to flavorings that are mixtures of isoamyl acetate, amyl acetate, nitrocellulose and other flavors. Pear oil commonly refers to a solution of isoamyl acetate in ethanol that is used as an artificial flavor. Isoamyl acetate, also known as isopentyl acetate, is an organic compound that is the ester formed from isoamyl alcohol and acetic acid. It is a clear colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents.
Kin_Substrate3-methyl-1butylacetate
CID31276
FamilyACHE
InChIKeyMLFHJEHSLIIPHL-UHFFFAOYSA-N
CanonicalSMILESCC(C)CCOC(=O)C
InChIInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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