HuagongsheHuagongshe Chemistry Print Report · For research reference only
Furfural diethyl acetal
2-(Diethoxymethyl)furan · SKL1170 · 2-(diethoxymethyl)-fura · furfural diethyl acetal · 2-(diethoxymethyl)furane · Furan, 2-(diethoxymethyl)- · 2-FURALDEHYDE DIETHYL ACETAL · 2-FuraldehydeDiethylAcetal>2-FURALDEHYDE DIETHYL ACETAL 98%

Identifiers & Physical Properties
| CAS No. | 13529-27-6 |
|---|---|
| Molecular formula | C9H14O3 |
| Average molar mass | 170.21 g/mol |
| Monoisotopic mass | 170.09429431 g/mol |
| SMILES | CCOC(OCC)c1ccco1 |
| InChIKey | SEILDMUKBMYIEZ-UHFFFAOYSA-N |
| PubChem CID | 83553 |
| ChEBI | CHEBI:34769 |
| EC No. | 236-872-6 |
| DTXSID | DTXSID10864418 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 31.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 110 |
| Boiling point | 189-191 °C (lit.) |
| Density | 1.008 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.444(lit.) |
| Flash point | 148 °F |
| Storage conditions | 0-6°C |
| Physical state | clear liquid |
| Specific gravity | 1.008 |
| Color | White to Yellow to Green |
| Odor | at 100.00 %. fruity earthy mushroom |
| Odor type | fruity |
| InChI | 1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3 |
| InChIKey | SEILDMUKBMYIEZ-UHFFFAOYSA-N |
| SMILES | CCOC(OCC)c1ccco1 |
| LogP (partition coefficient) | 2.272 (est) |
| CAS DataBase Reference | 13529-27-6(CAS DataBase Reference) |
| FDA UNII | 04B3GME3IJ |
| NIST Chemistry Reference | 2-Furaldehyde diethyl acetal(13529-27-6) |
| EPA Substance Registry System | Furan, 2-(diethoxymethyl)- (13529-27-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-24/25 |
| Water hazard class (WGK) | 3 |
| RTECS number | LU0585000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29321900 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH315 (100%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Furan, 2-(diethoxymethyl)-Regulation (EC) No 178/2002 (amended)REACH registered substance: 2-furaldehyde-diethylacetal (EC: 236-872-6)Furan, 2-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | LU0585000 |
| Customs code | 29321900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-24/25 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| REACH registrations | Active |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Furaldehyde diethyl acetal was used in the synthesis of:5-pyridyl- and 5-aryl-2-furaldehydes via Palladium-mediated cross-coupling reaction11-oxatricyclo [5.3. 1.02, 6] undecane derivatives