EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:156072 - propyl benzoate
| Formula | C10H12O2 |
| Net Charge | 0 |
| Average Mass | 164.204 |
| Monoisotopic Mass | 164.08373 |
| SMILES | CCCOC(=O)c1ccccc1 |
| InChI | InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | UDEWPOVQBGFNGE-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mangifera indica (ncbitaxon:29780) | bark (BTO:0001301) | PubMed (11829642) | Isolated from stem bark. |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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). flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Applications: | 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). flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propyl benzoate (CHEBI:156072) has role antimicrobial food preservative (CHEBI:65256) |
| propyl benzoate (CHEBI:156072) has role flavouring agent (CHEBI:35617) |
| propyl benzoate (CHEBI:156072) has role plant metabolite (CHEBI:76924) |
| propyl benzoate (CHEBI:156072) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| propyl benzoate |
| Synonyms | Source |
|---|---|
| Benzoic acid, propyl ester | ChemIDplus |
| propyl benzenecarboxylate | ChemIDplus |
| benzoic acid propyl ester | ChEBI |
| n-propyl benzoate | NIST Chemistry WebBook |
| benzoic acid n-propyl ester | NIST Chemistry WebBook |
| n-propyl benzenecarboxylate | ChEBI |
| UniProt Name | Source |
|---|---|
| propyl benzoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-19959 | MetaCyc |
| FDB008434 | FooDB |
| HMDB0031761 | HMDB |
| Propyl_benzoate | Wikipedia |
| Citations |
|---|