HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Dimethylfuran
2,3-Dimethylfuran · Furagin Impurity 20 · Furan, 2,3-dimethyl- · 2,3-Dimethylfuran>2,3-Dimethylfuran 99% · 2,3-Dimethylfuran 99% · 2,3-Dimethylfuran,99% · 2,3-Dimethylfuran, GC 99% · 2,3-DiMethylfuran, 99% 1GR
Identifiers & Physical Properties
| CAS No. | 14920-89-9 |
|---|---|
| Molecular formula | C6H8O |
| Average molar mass | 96.13 g/mol |
| Monoisotopic mass | 96.05751488 g/mol |
| SMILES | Cc1ccoc1C |
| InChIKey | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| PubChem CID | 34337 |
| ChEMBL | CHEMBL108232 |
| EC No. | 249-235-2 |
| DTXSID | DTXSID301027759 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 13.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 61.2 |
| SpringerMaterials Properties | Optical coefficient |
| Melting point | -62.8°C (estimate) |
| Boiling point | 42 °C/115 mmHg (lit.) |
| Density | 0.91 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.443(lit.) |
| Flash point | 30 °F |
| Storage conditions | Flammables area |
| Physical state | clear liquid |
| Color | Colorless to Yellow to Green |
| Specific gravity | 0.919 |
| Solubility | Insoluble in water. |
| BRN | 104572 |
| InChI | 1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 |
| InChIKey | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| SMILES | Cc1ccoc1C |
| CAS DataBase Reference | 14920-89-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H225-H302+H312+H332 |
| GHS precautionary statements | P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | F,Xn |
| Risk statements (R) | 11-20/21/22 |
| Safety statements (S) | 16-36 |
| UN transport number | UN 1993 3/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard class | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| Packing group | II |
| Customs code | 29321900 |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 1993 3/PG 2 |
| Customs code | 29321900 |
| Risk statements (R) | 11-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | F,Xn |
| Safety statements (S) | 16-36 |
| Hazard class | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| GHS hazard statements | H225-H302+H312+H332 |
| GHS precautionary statements | P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312 |
Applications & Uses
Uses
2,3-Dimethylfuran may be used in the synthesis of 2,9-dioxabicyclo[3.3.1]nonane. Ireland Alcohol was synthesized in from 2,3-dimethylfuran.
General Description
2,3-Dimethylfuran is a methyl substituted furan. The gas-phase rate constant determined by the relative rate method for the reaction of 2,3-dimethylfuran with NO3 radical was found to be (5.83 ± 0.46)×10-11 and with OH radical was (12.6 ± 0.4)×10-11 (in units of cm3 molecule-1 s-1). It is reported to be formed by the cyclization of (Z)-3-methylpent-2-en-4-yn-1-ol by various methods.