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2,2-Bis(allyloxymethyl)butan-1-ol
TMPDE · 2,2-B · TMPDE80 · TMPDE90 · rimethylolpropane diallyl ether · TRIMETHYLOLPROPANE DIALLYL ETHER · 2,2-BIS(ALLYLOXYMETHYL)-1-BUTANOL · 2,2-bis(allyloxymethyl)butan-1-ol
Identifikatoren & physikalische Daten
| CAS No. | 682-09-7 |
|---|---|
| Summenformel | C12H22O3 |
| Durchschnittliche Molmasse | 214,3 g/mol |
| Monoisotopische Masse | 214,15689456 g/mol |
| SMILES | C=CCOCC(CC)(CO)COCC=C |
| InChIKey | BDKDHWOPFRTWPP-UHFFFAOYSA-N |
| PubChem CID | 61196 |
| ChEMBL | CHEMBL3184580 |
| EC No. | 211-661-1 |
| DTXSID | DTXSID7044976 |
| Lokaler Name | 2,2-Bis(allyloxymethyl)butan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 164 |
| Physical Description | CBI |
| Collision Cross Section | 150.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7044976] |
| Siedepunkt | 135 °C/13 mmHg (lit.) |
| Dichte | 0.955 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.17-0.23Pa at 25℃ |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | >230 °F |
| Löslichkeit | Practically insoluble in water |
| Aggregatzustand | Viscous |
| pKa (Säurekonstante) | 14.62±0.10(Predicted) |
| Wichte | 0.955 |
| Farbe | Colorless to Light yellow |
| InChI | 1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3 |
| InChIKey | BDKDHWOPFRTWPP-UHFFFAOYSA-N |
| SMILES | CCC(CO)(COCC=C)COCC=C |
| LogP (Verteilungskoeffizient) | 1.4-3 at 20-25℃ |
| Oberflächenspannung | 50mN/m at 1g/L and 20℃ |
| CAS Datenbank | 682-09-7(CAS DataBase Reference) |
| EPA chemische Informationen | Trimethylolpropane diallyl ether (682-09-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25.8% (171 of 663) of reports.WarningH315 (74.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (74.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (74.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 663 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 171 of 663 reports by companies.There are 5 notifications provided by 492 of 663 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanol, 2,2-bis[(2-propenyloxy)methyl]-1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 17-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/18941-Butanol, 2,2-bis(2-propenyloxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| EPA Safer Chemical | Chemical: Trimethylopropane diallyl etherGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data. |
| Hazard Classes and Categories |
Anwendungen & Verwendung
Verwenden
TMPAE can be used in the synthesis of isophorone diisocyanate (IPDI) based tetracene monomers which can further be used in the formation of polymer dispersed liquid crystals. It can also be used in the synthesis of allyl ether based dendrimers that find potential usage in coatings.