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CHEBI:168668 - butyl butyryllactate
| Formula | C11H20O4 |
| Net Charge | 0 |
| Average Mass | 216.277 |
| Monoisotopic Mass | 216.13616 |
| SMILES | CCCCOC(=O)C(C)OC(=O)CCC |
| InChI | InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | NORZZKKLCYMBBF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| 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. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butyl butyryllactate (CHEBI:168668) has functional parent 2-hydroxypropanoic acid (CHEBI:78320) |
| butyl butyryllactate (CHEBI:168668) has functional parent butan-1-ol (CHEBI:28885) |
| butyl butyryllactate (CHEBI:168668) has role flavouring agent (CHEBI:35617) |
| butyl butyryllactate (CHEBI:168668) has role plant metabolite (CHEBI:76924) |
| butyl butyryllactate (CHEBI:168668) is a butyrate ester (CHEBI:50477) |
| butyl butyryllactate (CHEBI:168668) is a diester (CHEBI:51307) |
| IUPAC Name |
|---|
| 1-butoxy-1-oxopropan-2-yl butanoate |
| Synonyms | Source |
|---|---|
| (1-butoxy-1-oxopropan-2-yl) butanoate | SUBMITTER |
| 2-butoxy-1-methyl-2-oxoethyl butanoate | ChemIDplus |
| butyl butyrolactate | ChemIDplus |
| butyl butyryl lactate | ChemIDplus |
| butyric acid ester with butyl lactate | ChemIDplus |
| FEMA 2190 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037137 | HMDB |
| LMFA07010792 | LIPID MAPS |
| 22539 | ChemSpider |
| FDB016132 | FooDB |
| Citations |
|---|