CAS 105-01-1PubChem CID 7733
Isobutyl-2-furanpropionate
Isobutyl 2-furanpropionate is a fatty acid ester. — ChEBI
- IUPAC name
- 2-methylpropyl 3-(furan-2-yl)propanoate
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24 g/mol
- Exact mass
- 196.109944368 Da
- XLogP3
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Isobutyl furfurylacetateIsobutyl 2-furanpropionate2-Methylpropyl 2-furanpropanoateIsobutyl 3-(2-furyl)propanoateIsobutyl furan-2-propionateFEMA No. 21982-Furanpropanoic acid, 2-methylpropyl ester2-FURANPROPIONIC ACID, ISOBUTYL ESTER
16 more reported names
Isobutyl 3-(2-furan)propionateVTW5O0BY7TEINECS 203-261-0BRN 4991049ISOBUTYL-2-FURANPROPIONATE [FHFI]RefChem:791643203-261-0Isobutyl 3-(furan-2-yl)propanoateIsobutyl furylpropionateUNII-VTW5O0BY7TFEMA 2198CHEBI:169336SVDPTFHRRNUNRS-UHFFFAOYSA-NWE 11:3;O2-methylpropyl 3-(uran-2-yl)propanoateAS-92880
External database identifiers
- ChEBI:CHEBI:169336
- EPA DTXSID:DTXSID4051532
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:169336
Isobutyl 2-furanpropionate
- Formula
- C11H16O3
- Average mass
- 196.246 g/mol
- Monoisotopic mass
- 196.10994 Da
- Formal charge
- 0
- fatty acid ester — is a (CHEBI:35748)
- fatty acid ester — is a (CHEBI:35748)
Additional curated names
2-methylpropyl 3-(uran-2-yl)propanoate
Cross-references from this source
- CAS: 105-01-1 — ChemIDplus
- MANUAL_X_REF: 7447 — ChemSpider
- MANUAL_X_REF: HMDB0037734 — HMDB
- MANUAL_X_REF: LMFA07010915 — LIPID MAPS
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7733
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 105.00 °C. @ 3.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 105 (3 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.007-1.013 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colourless to pale, straw-yellow liquid; Fruity, winey, brandy-like aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.531-1.537 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: very slightly Source: Human Metabolome Database (HMDB)
- Solubility: Very slightly soluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 88.8% (308 of 347) of all reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (11.2%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (11.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, 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 347 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 308 of 347 reports by companies.; There is 1 notification provided by 39 of 347 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)
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.