HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-2-(1-methylpropyl)propan-1,3-diol
Nsc 74471 · Einecs 212-387-5 · 2-Methyl-2-sec-butyl-1,3-propanediol · 2-SEC-BUTYL-2-METHYL-1,3-PROPANEDIOL · 2-sec-butyl-2-methyl-propane-1,3-diol · 1,3-Propanediol, 2-sec-butyl-2-methyl- · 2-(BUTAN-2-YL)-2-METHYLPROPANE-1,3-DIOL · 2-Methyl-2-(1-methylpropyl)propan-1,3-diol
Identifikatoren & physikalische Daten
| CAS No. | 813-60-5 |
|---|---|
| Summenformel | C8H18O2 |
| Durchschnittliche Molmasse | 146,23 g/mol |
| Monoisotopische Masse | 146,13067981 g/mol |
| SMILES | CCC(C)C(C)(CO)CO |
| InChIKey | MSRXHJALEMAKGB-UHFFFAOYSA-N |
| PubChem CID | 98076 |
| EC No. | 212-387-5 |
| DTXSID | DTXSID30883585 |
| Lokaler Name | 2-Methyl-2-(1-methylpropyl)propan-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87 |
| Schmelzpunkt | 53 °C |
| Siedepunkt | 92-97 °C(Press: 0.1 Torr) |
| Dichte | 0.937±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 14.51±0.10(Predicted) |
| EPA chemische Informationen | 1,3-Propanediol, 2-methyl-2-(1-methylpropyl)- (813-60-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H334 (95.1%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P354+P338, P317, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.There are 2 notifications provided by 40 of 41 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 | Status: Active Update: 28-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11297 |
| Hazard Classes and Categories | Eye Dam. 1 (97.6%)Resp. Sens. 1 (95.1%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
2-methyl-2-(1-methylpropyl)propane-1,3-diol can be made via 2,3-dimethylbutanal by simultaneous aldol addition and Cannizzaro reaction with formaldehyde. The diol itself is not commercially available.