HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Ethyl-2-furaldehyde
5-Ethylfurfural · 5-ETHYL-2-FURALDEHYD · ASISCHEM D29263 · 5-Ethyl-2-furfural · TIMTEC-BB SBB010056 · Furfural Impurity 20 · Furfural Impurity 34 · 5-ETHYL-2-FURALDEHYDE

Identifiers & Physical Properties
| CAS No. | 23074-10-4 |
|---|---|
| Molecular formula | C7H8O2 |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.0524295 g/mol |
| SMILES | CCc1ccc(C=O)o1 |
| InChIKey | XADGZBXFWQHBDB-UHFFFAOYSA-N |
| PubChem CID | 89989 |
| EC No. | 245-411-8 |
| DTXSID | DTXSID80177643 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 101 |
| Boiling point | 79-81 °C/12 mmHg (lit.) |
| Density | 1.055 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.522(lit.) |
| Flash point | 150 °F |
| Storage conditions | Sealed in dry,2-8°C |
| Physical state | liquid |
| Specific gravity | 1.055 |
| Sensitivity | Air Sensitive |
| BRN | 1982 |
| InChI | 1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3 |
| InChIKey | XADGZBXFWQHBDB-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(CC)o1 |
| LogP (partition coefficient) | 1.179 (est) |
| CAS DataBase Reference | 23074-10-4(CAS DataBase Reference) |
| FDA UNII | YYH2MYA6S7 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P403+P235-P501a |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29321900 |
| Storage class | 10 - Combustible liquids |
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%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25 |
| Hazard class | IRRITANT |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P403+P235-P501a |
Applications & Uses
Uses
5-Ethyl-2-furaldehyde was used in the synthesis of N-(tert-butoxycarbonyl)-3-(benzoxazol-5-yl)alanine methyl ester derivatives.