HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropyl 2-furoate
Ai3-23589 · Nsc 35576 · Einecs 228-451-0 · Isopropyl furoate · isopropyl 2-furoate · Isopropyl 2-Furoate (~90%) · Isopropyl furan-2-carboxylate · 2-Furoic acid, isopropyl ester
Identifiers & Physical Properties
| CAS No. | 6270-34-4 |
|---|---|
| Molecular formula | C8H10O3 |
| Average molar mass | 154.16 g/mol |
| Monoisotopic mass | 154.06299418 g/mol |
| SMILES | CC(C)OC(=O)c1ccco1 |
| InChIKey | IIISLCMALFIFKE-UHFFFAOYSA-N |
| PubChem CID | 80452 |
| EC No. | 228-451-0 |
| DTXSID | DTXSID3064190 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 142 |
| SpringerMaterials Properties | Optical coefficient |
| Boiling point | 198.5°C (estimate) |
| Density | 1.0655 |
| Refractive index | 1.4682 (estimate) |
| Storage conditions | Refrigerator, under inert atmosphere |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Oil |
| Color | Yellow |
| LogP (partition coefficient) | 1.965 (est) |
| CAS DataBase Reference | 6270-34-4 |
| FDA UNII | 6ZJ2JI8QNC |
| EPA Substance Registry System | 2-Furancarboxylic acid, 1-methylethyl ester (6270-34-4) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227-H335-H319-H315 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| GHS classification | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| TSCA inventory status | TSCA listed |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H227-H335-H319-H315 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
Isopropyl 2-Furoate is used in the preparation of heteroarenecarboxylates.