butyl butyryllactate (CHEBI:168668)

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ChEBI Name	butyl butyryllactate

ChEBI ID	CHEBI:168668

Definition	A diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

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Formula

C11H20O4

Net Charge

Average Mass

216.277

Monoisotopic Mass

216.13616

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

SMILES

CCCCOC(=O)C(C)OC(=O)CCC

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	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	Sources
(1-butoxy-1-oxopropan-2-yl) butanoate	SUBMITTER
1-butoxy-1-oxopropan-2-yl butyrate	ChEBI
2-butoxy-1-methyl-2-oxoethyl butanoate	ChemIDplus
butanoic acid 2-butoxy-1-methyl-2-oxoethyl ester	ChemIDplus
butyl 2-(butyryloxy)propionate	ChEBI
butyl butyrolactate	ChemIDplus
butyl butyryl lactate	ChemIDplus
butyl O-butyryllactate	ChemIDplus
butyric acid ester with butyl lactate	ChemIDplus
FEMA 2190	ChemIDplus
lactic acid, butyl ester, butyrate	ChemIDplus
n-butyl n-butyryl lactate	NIST Chemistry WebBook
O-butyryllactic acid butyl ester	ChEBI

Last Modified

06 September 2021