HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-Dimethoxytetrahydrofuran
DMTHF · DIMETHOXYTETRAHYDROFURAN · TETRAHYDRO-2,5-DIMETHOXYFURAN · 5-DiMethoxytetrahydrofuran · cis,trans-2,5-Dimethoxytetrahydrofuran · Protectol DMT · Dimethoxytetrahydr · 2,5-Dimethoxytetrahy
Identifiers & Physical Properties
| CAS No. | 696-59-3 |
|---|---|
| Molecular formula | C6H12O3 |
| Average molar mass | 132.16 g/mol |
| Monoisotopic mass | 132.07864424 g/mol |
| SMILES | COC1CCC(OC)O1 |
| InChIKey | GFISDBXSWQMOND-UHFFFAOYSA-N |
| PubChem CID | 79098 |
| EC No. | 211-797-1 |
| DTXSID | DTXSID10862378 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 27.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 74.4 |
| Melting point | -45 °C |
| Boiling point | 145-147 °C(lit.) |
| Density | 1.023 g/mL at 20 °C(lit.) |
| Vapor pressure | 5 hPa (20 °C) |
| Refractive index | n20/D 1.418 |
| Flash point | 95 °F |
| Storage conditions | Store below +30°C. |
| Solubility | 300g/l350 g/L (20 ºC) |
| Physical state | Liquid |
| Color | Clear colorless to slightly yellow |
| pH | 5 (300g/l, H2O, 20℃) |
| Explosive limits | 2.0-12.3%(V) |
| Sensitivity | Air & Light Sensitive |
| BRN | 104261 |
| InChI | 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3 |
| InChIKey | GFISDBXSWQMOND-UHFFFAOYSA-N |
| SMILES | COC1CCC(OC)O1 |
| LogP (partition coefficient) | 0.34 at 20℃ |
| CAS DataBase Reference | 696-59-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Furan, tetrahydro-2,5-dimethoxy-(696-59-3) |
| EPA Substance Registry System | Furan, tetrahydro-2,5-dimethoxy- (696-59-3) |
| UNSPSC Code | 12352112 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H226-H315-H331 |
| GHS precautionary statements | P210-P233-P240-P241-P303+P361+P353-P304+P340+P311 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 10-36/37/38-36-20/21 |
| Safety statements (S) | 26-36-36/37/39-16 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 1 |
| Autoignition temperature | >205 °C |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 3Skin Irrit. 2 |
| Packing group | III |
| Customs code | 29321900 |
| Storage class | 3 - Flammable liquids |
| Toxicity | LD50 orally in Rabbit: 2040 mg/kg |
| REACH registrations | Active |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Furan, tetrahydro-2,5-dimethoxy-Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/317832,5-Dimethoxytetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29321900 |
| Toxicity | LD50 orally in Rabbit: 2040 mg/kg |
| Risk statements (R) | 10-36/37/38-36-20/21 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS06 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-36/37/39-16 |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 3Skin Irrit. 2 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| GHS hazard statements | H226-H315-H331 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Active |
| Autoignition temperature | >205 °C |
| GHS precautionary statements | P210-P233-P240-P241-P303+P361+P353-P304+P340+P311 |
Applications & Uses
Uses
2,5-Dimethoxytetrahydrofuran is a tetrahydrofuran derivative that finds application in proteomics research and in organic synthesis. It is also used as an intermediate for atropine sulfate, which is an anticholinergic drug. Further, it acts as a precursor of butanediol. In addition to this, it is used as a photographic hardener and as disinfectant in formulations.