CAS 106-36-5PubChem CID 7803
Propyl propionate
Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a biomarker, a fungal metabolite, a human metabolite and a rat metabolite. It is functionally related to a propan-1-ol. — ChEBI
- IUPAC name
- propyl propanoate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
- Exact mass
- 116.083729621 Da
- XLogP3
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
n-Propyl propionatePropanoic acid, propyl estern-Propyl propanoatePropionic acid, propyl estern-Propyl n-propionatePropylester kyseliny propionoveFEMA No. 2958Propyl propionate (natural)
16 more reported names
Propionic acid n-propyl esterNSC 72022Propyl ester of propanoic acidPropyl-propanoateUNII-G09TRV00GKEINECS 203-389-7G09TRV00GKPropylester kyseliny propionove [Czech]BRN 1699993n-Propyl n-propanoateAI3-24357NSC-72022PROPYL PROPANOATE [MI]PROPYL PROPIONATE [FCC]PROPYL PROPIONATE [FHFI]CHEBI:89828
External database identifiers
- ChEBI:CHEBI:89828
- ChEMBL:CHEMBL3185284
- EPA DTXSID:DTXSID4042337
- PubMed:19746921
- PubMed:19555224
- PubMed:15691743
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:89828
propyl propionate
A propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid.
- Formula
- C6H12O2
- Average mass
- 116.160 g/mol
- Monoisotopic mass
- 116.08373 Da
- Formal charge
- 0
- propanoate ester — is a (CHEBI:36243)
- human metabolite — has role (CHEBI:77746)
- rat metabolite — has role (CHEBI:86264)
- biomarker — has role (CHEBI:59163)
- fungal metabolite — has role (CHEBI:76946)
- propan-1-ol — has functional parent (CHEBI:28831)
- human metabolite — has role (CHEBI:77746)
- rat metabolite — has role (CHEBI:86264)
- biomarker — has role (CHEBI:59163)
- fungal metabolite — has role (CHEBI:76946)
- propanoate ester — is a (CHEBI:36243)
Additional curated names
propyl propanoaten-Propyl n-propionaten-Propyl propanoaten-Propyl propionatePropanoic acid, propyl esterPropionic acid n-propyl esterPropionic acid, propyl esterPropyl ester of propanoic acid
Cross-references from this source
- CAS: 106-36-5 — ChemIDplus
- CAS: 106-36-5 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1699993 — Reaxys
- MANUAL_X_REF: CN101225018 — Patent
- MANUAL_X_REF: HMDB0030059 — HMDB
- MANUAL_X_REF: Propyl_propanoate — Wikipedia
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2017-11-03. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7803
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 122.00 to 124.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 122-124 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.873-0.879 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -75.9 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless to pale yellow liquid with a fruity (apple, banana, pineapple) odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.391-1.396 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 5.3 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: miscible with alcohol, ether, propylene glycol; soluble 1 ml in 200 ml water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 ml in 1 ml 95% alcohol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Note: This chemical does not meet GHS hazard criteria for 0.6% (11 of 1970) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]; H332 (99.4%): Harmful if inhaled [Warning Acute toxicity, inhalation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1970 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 11 of 1970 reports by companies.; There are 3 notifications provided by 1959 of 1970 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Consumer Uses: Not Known or Reasonably Ascertainable Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Intermediate; Not Known or Reasonably Ascertainable Source: EPA Chemical Data Reporting (CDR)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.