Propyl acetate (BioCAD00000031083)
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
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.
DBLinks
- CAS Registry Number: 109-60-4
- PubChem CID: 7997
- ChEBI: 40116
- HMDB: HMDB0034237
- LipidMaps:
- KEGG:
- BioCyc: CPD-18998
- NCBI MeSH: propyl acetate
- Wikipedia: Propyl_acetate
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
- WishartLab ClassyFire: [Carboxylic acid derivatives] Carboxylic acid derivatives
- RefMet: [Short fatty esters] Short fatty esters
- ChEBI: [CHEBI:40116] propyl acetate
- Coconut NaturalProduct: [Wax monoesters] Wax monoesters
| 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 |
Taxonomy Source
- Croton lechleri Mull.Arg. [ncbi taxid: ]
- FOOD SAKE [ncbi taxid: ]
- Fragaria x ananassa [ncbi taxid: 3747]
- Homo sapiens [ncbi taxid: 9606]
- Salix subserrata [ncbi taxid: ]
- 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) |