Propyl acetate (BioCAD00000031083)

feces saliva plant natural products

Metabolite Card

Formula: C5H10O2 (102.0681)
SMILES: CCCOC(C)=O

Synonyms [en]

propyl acetate; Propyl ethanoate; 1-Acetoxypropane; n-propyl acetate; 1-propyl acetate; n-propanol acetate

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Propyl 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: BioCAD00000031083). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Propyl acetate, also known as 1-acetoxypropane or propyl ethanoate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). It is formed by the esterification of acetic acid and 1-propanol (known as a condensation reaction), often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct. This clear, colorless liquid is known by its characteristic odor of pears. Propyl acetate is a drug. Propyl acetate is a bitter, celery, and fruity tasting compound. It has been detected, but not quantified, in several different foods, such as muskmelons, figs, apples, pineapples, and cocoa beans. Due to this fact, it is commonly used in fragrances and as a flavor additive. Propyl acetate has been found to be associated with the diseases such as nonalcoholic fatty liver disease; also propyl acetate has been linked to the inborn metabolic disorders including celiac disease.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 109-60-4
  • CAS Registry Number: 13313-91-2
  • CAS Registry Number: 5396-24-7
  • PubChem: 7997
  • ChEBI: ChEBI:40116
  • HMDB: HMDB0034237
  • HMDB: HMDB34237
  • BioCyc: CPD-18998
  • NCBI MeSH: propyl acetate
  • Wikipedia: Propyl_acetate
  • DrugBank: DB01670
  • RefMet: RM0153403
  • MoNA: HMDB0034237_c_ms_101573
  • MoNA: HMDB0034237_c_ms_101574
  • MoNA: HMDB0034237_c_ms_101575
  • MoNA: HMDB0034237_c_ms_101576
  • MoNA: HMDB0034237_c_ms_101577
  • MoNA: HMDB0034237_c_ms_101578
  • MoNA: JP001194
  • MoNA: JP001195
  • MoNA: JP001301
  • MoNA: JP001520
  • MoNA: JP005175
  • MoNA: JP007066
  • Metlin: METLIN_89794
  • Coconut NaturalProduct: CNP0274142.0

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:65469 1-propanol + acetyl-CoA => propyl acetate + CoA
Rhea:RHEA:65470 propyl acetate + CoA => 1-propanol + acetyl-CoA
Rhea:RHEA:65471 1-propanol + acetyl-CoA <=> propyl acetate + CoA
BioCyc:RXN-18669 2.3.1.84 ACETYL-COA + PROPANOL --> CPD-18998 + CO-A
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Organism Source

Taxonomy Source

  1. Croton lechleri Mull.Arg. [ncbi taxid: ]
  2. FOOD SAKE [ncbi taxid: ]
  3. Fragaria x ananassa [ncbi taxid: 3747]
  4. Homo sapiens [ncbi taxid: 9606]
  5. Salix subserrata [ncbi taxid: ]
  6. 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