butyl benzoate (CHEBI:156070)

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ChEBI Name	butyl benzoate

ChEBI ID	CHEBI:156070

Definition	A benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

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Formula

C11H14O2

Net Charge

Average Mass

178.231

Monoisotopic Mass

178.09938

InChI

InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

XSIFPSYPOVKYCO-UHFFFAOYSA-N

SMILES

C=1C=CC(=CC1)C(=O)OCCCC

Roles Classification
Biological Role(s):	antimicrobial food preservative A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	antimicrobial food preservative A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	butyl benzoate (CHEBI:156070) has role antimicrobial food preservative (CHEBI:65256) butyl benzoate (CHEBI:156070) has role fragrance (CHEBI:48318) butyl benzoate (CHEBI:156070) has role plant metabolite (CHEBI:76924) butyl benzoate (CHEBI:156070) is a benzoate ester (CHEBI:36054)

IUPAC Name

butyl benzoate

Last Modified

09 July 2020