HuagongsheHuagongshe Chemistry Print Report · For research reference only
(R)-Tetrahydro-3-furoic acid
oxolane-3-carboxylic acid · TETRAHYDRO-FURAN-3-CARBOXYLIC ACID · 3-Tetrahydrofuroic · RARECHEM AL BE 0888 · Tetrahydro-3-furoic acid · (?-Tetrahydro-3-furoic acid · 3-Carboxylic tetrahydrofuran · Tetrahydrofuran-3-carboxy...
Identifiers & Physical Properties
| CAS No. | 89364-31-8 |
|---|---|
| Molecular formula | C5H8O3 |
| Average molar mass | 116.11 g/mol |
| Monoisotopic mass | 116.04734412 g/mol |
| SMILES | O=C(O)C1CCOC1 |
| InChIKey | BOTREHHXSQGWTR-UHFFFAOYSA-N |
| PubChem CID | 4661317 |
| ChEMBL | CHEMBL2228306 |
| EC No. | 629-382-2 |
| DTXSID | DTXSID00405339 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 99.8 |
| Melting point | 129-130 °C |
| Boiling point | 140 °C15 mm Hg(lit.) |
| Density | 1.214 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4605(lit.) |
| Flash point | >230 °F |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | Acetone, Chloroform (Slightly) |
| pKa (acidity coefficient) | 4.33±0.20(Predicted) |
| Physical state | Liquid |
| Color | Colorless to pale yellow |
| InChI | InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7) |
| InChIKey | BOTREHHXSQGWTR-UHFFFAOYSA-N |
| SMILES | O1CCC(C(O)=O)C1 |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 2932190090 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%)Eye Irrit. 2A (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2932190090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
Tetrahydro-3-furoic acid was used in synthesis of o-ethylphenyl tetrahydro-3-furanyl ketone.
Uses
Tetrahydro-3-furoic Acid can be used in the synthesis of anti-tumor compounds comprising of hydroxyisovalerylshikonin analogs. Furthermore, the compound is a reagent in the synthesis of class II c-Met inhibitors, in the treatment of c-Met dependant tumors.