HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1,2-Triethoxyethane
triethoxyethane · ETHOXYACETAL · 1,1,2-TRIETHOXYETHANE · Ethane, 1,1,2-triethoxy- · ETHOXYACETALDEHYDE DIETHYL ACETAL · 2-ETHOXY-ACETALDEHYDE DIETHYLACETAL · ETHOXYACETALDEHYDE DIETHYL ACETAL 97% · 2-Ethoxyacetaldehyde diethylacetal 97%
Identifiers & Physical Properties
| CAS No. | 4819-77-6 |
|---|---|
| Molecular formula | C8H18O3 |
| Average molar mass | 162.23 g/mol |
| Monoisotopic mass | 162.12559443 g/mol |
| SMILES | CCOCC(OCC)OCC |
| InChIKey | VNSJUZIHZNZLKM-UHFFFAOYSA-N |
| PubChem CID | 43390 |
| EC No. | 225-394-3 |
| DTXSID | DTXSID10197455 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 27.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 69.7 |
| SpringerMaterials Properties | Optical coefficient |
| Boiling point | 52-54°C 12mm |
| Density | 0.885 g/cm3(Temp: 28 °C) |
| Flash point | 46°C |
| FDA UNII | VYF2MW8WVR |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 10 |
| Safety statements (S) | 16-26 |
| UN transport number | 3271 |
| Hazard Note | Irritant |
| Customs code | 2912290090 |
Safety & Regulations
| GHS classification | WarningH226 (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, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Ethane, 1,1,2-triethoxy- |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN transport number | 3271 |
| Customs code | 2912290090 |
| Risk statements (R) | 10 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 16-26 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1,1,2-Triethoxyethane is an intermediate used to synthesize pyrazolopyrimidine derivatives as COX-2 selective inhibitors. It is also used to prepare [(1,2,4-oxadiazolylphenoxy)alkyl]isoxazoles as antiviral agents.