<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4906</id>
  <title>T3D4851</title>
  <common-name>Isopentyl acetate</common-name>
  <description>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.

Isopentyl acetate belongs to the family of Carboxylic Acid Esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group).</description>
  <cas>123-92-2</cas>
  <pubchem-id>31276</pubchem-id>
  <chemical-formula>C7H14O2</chemical-formula>
  <weight>130.18</weight>
  <appearance></appearance>
  <melting-point>-78.5 °C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>2 mg/mL at 25 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:19:13Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:34:24Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Isopentyl_acetate</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C12296</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>31725</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)CCOC(C)=O</moldb-smiles>
  <moldb-formula>C7H14O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3</moldb-inchi>
  <moldb-inchikey>MLFHJEHSLIIPHL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">130.1849</moldb-average-mass>
  <moldb-mono-mass type="decimal">130.099379692</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.25</logp>
  <hmdb-id>HMDB31528</hmdb-id>
  <chembl-id>CHEMBL42013</chembl-id>
  <chemspider-id>29016</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003807</chemdb-id>
  <dsstox-id>DTXSID9025453</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-methylbutyl acetate</iupac>
</compound>
