HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-Dimethyl-2-furaldehyde
4,5-DIMETHYLFURFURAL · Furfural Impurity 19 · 4,5-Dimethylfurfural>4,5-DIMETHYL-2-FURALDEHYD · 4,5-Dimethyl-2-furaldehyde · 4,5-Dimethyl-2-furaldehyde,97% · 4,5-diMethylfuran-2-carbaldehyde · 4,5-DIMETHYL-2-FURANCARBOXALDEHYD · 4,5-DIMETHYL-2-FURANCARBOXALDEHYDE
Identifiers & Physical Properties
| CAS No. | 52480-43-0 |
|---|---|
| Molecular formula | C7H8O2 |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.0524295 g/mol |
| SMILES | Cc1cc(C=O)oc1C |
| InChIKey | JPTPEPVCVXGNJM-UHFFFAOYSA-N |
| PubChem CID | 643406 |
| EC No. | 672-145-3 |
| DTXSID | DTXSID70349175 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 111 |
| Boiling point | 98-100 °C/12 mmHg (lit.) |
| Density | 1.016 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.529(lit.) |
| Flash point | 151 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Physical state | clear liquid |
| Color | Colorless to Yellow |
| Sensitivity | Air & Light Sensitive |
| BRN | 107585 |
| InChI | 1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3 |
| InChIKey | JPTPEPVCVXGNJM-UHFFFAOYSA-N |
| SMILES | Cc1cc(C=O)oc1C |
| CAS DataBase Reference | 52480-43-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227-H315-H319 |
| GHS precautionary statements | P210e-P280a-P305+P351+P338-P501a-P210-P280-P370+P378-P403+P235-P501 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/38 |
| Safety statements (S) | 24/25-37-26-23 |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Storage class | 10 - Combustible liquids |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Risk statements (R) | 36/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 24/25-37-26-23 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227-H315-H319 |
| GHS precautionary statements | P210e-P280a-P305+P351+P338-P501a-P210-P280-P370+P378-P403+P235-P501 |
Applications & Uses
Uses
2,6-Dimethyl-4-pyrrone has been reported to undergo photochemical rearrangement to afford 4,5-dimethyl-2-furaldehyde. Mechanism of this photorearrangement has been described.
General Description
2,6-Dimethyl-4-pyrrone has been reported to undergo photochemical rearrangement to afford 4,5-dimethyl-2-furaldehyde. Mechanism of this photorearrangement has been described.