HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Propylidintrimethanol
Trimethylol propane · 1,1,1-TRIS(HYDROXYMETHYL)PROPANE · propylidynetrimethanol · HEXAGLYCEROL · 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL · Trimethylopropane · Trimethylolpropan · 1,1,1-TRIMETHYLOLPROPANE
Identifikatoren & physikalische Daten
| CAS No. | 77-99-6 |
|---|---|
| Summenformel | C6H14O3 |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,09429431 g/mol |
| SMILES | CCC(CO)(CO)CO |
| InChIKey | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| PubChem CID | 6510 |
| ChEMBL | CHEMBL3185136 |
| ChEBI | CHEBI:183310 |
| EC No. | 201-074-9 |
| DTXSID | DTXSID2026448 |
| Lokaler Name | Propylidintrimethanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 60,4 |
| Polymers | Other Classes -> Alcohols and Polyols, OtherPlastics -> Heat stabilisersPlastics -> N.a. |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | -0.5 |
| Dichte | 1.084 g/cm³1.176 |
| Color/Form | WHITE POWDER OR PLATESCOLORLESS CRYSTALS |
| Löslichkeit | SOL IN ALL PROP IN WATER, ALCOHOLINSOL IN BENZENE, CARBON TETRACHLORIDESolubility in water at 20 °C: miscibleH2O: 0.1 g/mL, clearsoluble |
| Flammpunkt | 172 °C c.c. |
| Siedepunkt | 160 °C @ 5 MM HG292-297 °C159-161 °C2 mm Hg(lit.) |
| Schmelzpunkt | 58 °C56-58 °C(lit.) |
| Dampfdichte | Relative vapor density (air = 1): 4.634.8 (vs air) |
| Dampfdruck | 0.0000449 [mmHg]<1 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Brechungsindex | 1.4850 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 14.01±0.10(Predicted) |
| Aggregatzustand | Flakes |
| Farbe | White |
| pH | 6.5 (100g/l, H2O, 20℃)(External MSDS) |
| Explosionsgrenze | 2-11.8%(V) |
| BRN | 1698309 |
| Henry-Konstante | 1.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Kosmetik-Inhaltsstoffe Funktionen | HUMECTANTSOLVENT |
| InChI | 1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 |
| InChIKey | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| SMILES | CCC(CO)(CO)CO |
| LogP (Verteilungskoeffizient) | -0.975 (est) |
| CAS Datenbank | 77-99-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6) |
| EPA chemische Informationen | Trimethylolpropane (77-99-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 94% (4784 of 5087) of all reports.Not ClassifiedAggregated GHS information provided per 5087 reports by companies from 12 notifications to the ECHA C&L Inventory.DangerH360: May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15407Trimethylolpropane: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: Human health tier I assessment |
| Brandgefahren | Combustible. Finely dispersed particles form explosive mixtures in air. |
| Gefahrenübersicht | Causes somnolence and respiratory depression in lethal-dose feeding studies of rats and mice[RTECS] An eye and respiratory tract irritant[ICSC] May cause irritation[MSDSonline] |
| Chemical Dangers | Reacts violently with strong oxidants. |
| Hazard Classes and Categories | Not ClassifiedReproductive toxicity - Category 1B |
| Explosive Limits and Potential | Explosive limits , vol% in air: 2.0-11.8 |
| Brandbekämpfung | Use water spray, powder, alcohol-resistant foam, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. |
| Sichere Lagerung | Separated from strong oxidants. Dry. Well closed. |
| Verschüttetes entsorgen | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. Wash away remainder with plenty of water. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. |
| Inhalation Risk | A nuisance-causing concentration of airborne particles can be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| Effects of Short Term Exposure | May cause mechanical irritation to the eyes and respiratory tract. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Signs and Symptoms | Cough.Redness. |
| Toxicity Data | LC50 (rat) > 850 mg/m3/4h |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29054100 |
| RTECS-Nr. | TY6470000 |
| Toxizität | LD50 orally in Rabbit: > 2500 mg/kg |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 77-99-6(Hazardous Substances Data) |
| Gefahrenklasse | Repr. 2 |
| Selbstentzündungstemperatur | 375 °C DIN 51794 |
Anwendungen & Verwendung
Verwenden
Trimethylolpropane acts as a precursor to alkyd resins, high-gloss coatings and ion exchange resins. It is also employed as a multifunctional monomer utilized for the production of coatings, ethoxylated and propoxylated trimethylolpropane derivatives. Further, it serves as a building block in the polymer industry.