Butyl acetate (BioCAD00000007728)

feces

Metabolite Card

Formula: C6H12O2 (116.0837)
SMILES: CCCCOC(C)=O

Synonyms [en]

butyl acetate; N-BUTYL ACETATE; 1-Butyl acetate; CH3COO(CH2)3CH3; acetic acid butyl ester; 1-acetoxybutane

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Butyl acetate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000007728). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

n-Butyl acetate is a flavouring ingredient used in apple flavours. n-Butyl acetate, also known as butyl ethanoate, is an organic compound commonly used as a solvent in the production of lacquers and other products. It is also used as a synthetic fruit flavoring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is found in many types of fruit, where along with other chemicals it imparts characteristic flavors. Apples, especially of the Red Delicious variety, are flavored in part by this chemical. It is a colourless flammable liquid with a sweet smell of banana.

Cytoplasm Extracellular
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 123-86-4
  • PubChem: 31272
  • ChEBI: ChEBI:31328
  • HMDB: HMDB0031325
  • KEGG: C12304
  • BioCyc: CPD-13346
  • NCBI MeSH: butyl acetate
  • Wikipedia: Butyl acetate
  • Wikipedia: Butyl_acetate
  • RefMet: RM0153352
  • MoNA: HMDB0031325_c_ms_100725
  • MoNA: HMDB0031325_c_ms_100726
  • MoNA: HMDB0031325_c_ms_100727
  • MoNA: HMDB0031325_c_ms_100728
  • MoNA: HMDB0031325_c_ms_100729
  • MoNA: HMDB0031325_c_ms_100730
  • MoNA: JP001198
  • MoNA: JP001199
  • MoNA: JP001302
  • MoNA: JP001522
  • MoNA: JP005179
  • MoNA: JP007068
  • Metlin: METLIN_69424
  • Coconut NaturalProduct: CNP0158571.0

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:64633 butan-1-ol + acetyl-CoA => butyl acetate + CoA
Rhea:RHEA:64634 butyl acetate + CoA => butan-1-ol + acetyl-CoA
Rhea:RHEA:64635 butan-1-ol + acetyl-CoA <=> butyl acetate + CoA
BioCyc:RXN-12362 2.3.1.84 ACETYL-COA + BUTANOL --> CPD-13346 + CO-A
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Organism Source

Taxonomy Source

  1. Angelica acutiloba [ncbi taxid: 55605]
  2. Angelica gigas [ncbi taxid: 85712]
  3. Angelica sinensis [ncbi taxid: 165353]
  4. Atractylodes lancea [ncbi taxid: 41486]
  5. Atractylodes macrocephala [ncbi taxid: 265785]
  6. Eucheuma muricatum [ncbi taxid: ]
  7. FOOD SAKE [ncbi taxid: ]
  8. Homo sapiens [ncbi taxid: 9606]
  9. Homo sapiens (Feces) [ncbi taxid: ]
  10. Olea europaea [ncbi taxid: 4146]
  11. Passiflora edulis [ncbi taxid: 78168]
  12. Prunus armeniaca [ncbi taxid: 36596]
  13. Prunus armeniaca L. (K33-81) [ncbi taxid: ]
  14. Prunus salcina Lindl. (Blackamber,Friar) [ncbi taxid: ]
  15. Pyrus communis [ncbi taxid: 23211]
  16. Vitis vinifera [ncbi taxid: 29760]

Pathway Synthetic

pathway id name
BioCyc:META_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:SUNFLOWER_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:ASPARAGUS_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:WHEATA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:BANANA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:BARLEY_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:ZMARINA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:BOLERACEA_OLERACEA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:BRACHYPODIUM_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:BREADWHEAT_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:CACUMINATA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:CARNATION_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:CASHEW_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:CCAPSULARIS_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:CLEMENTINE_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:TEA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:TPARVULA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:OBARTHII_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:DROTUNDATA_PWY-6801 volatile esters biosynthesis (during fruit ripening)
PlantCyc:EGRANDIS_PWY-6801 volatile esters biosynthesis (during fruit ripening)
View All Pathways