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Hexan-1,2,6-triol
Hexane-1，2，6-triol · hexane-1, · UNII:W45XXM0XWE · Hexan-1,2,6-triol · 1,2,6-HEXANETRIOL · 1,5,6-Hexanetriol · HEXANETRIOL(1,2,6-) · 1,2,6-Hexanetriol>1,2,6-HEXANETRIOL 97%
Identifikatoren & physikalische Daten
| CAS No. | 106-69-4 |
|---|---|
| Summenformel | C6H14O3 |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,09429431 g/mol |
| SMILES | OCCCCC(O)CO |
| InChIKey | ZWVMLYRJXORSEP-UHFFFAOYSA-N |
| PubChem CID | 7823 |
| ChEMBL | CHEMBL3184716 |
| ChEBI | CHEBI:179443 |
| EC No. | 203-424-6 |
| DTXSID | DTXSID0041224 |
| Lokaler Name | Hexan-1,2,6-triol |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 56,3 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Kosmetika | HumectantSkin conditioningEmollientViscosity controllingSolvent |
| Dampfdruck | 0.0000791 [mmHg]<0.01 mm Hg ( 20 °C) |
| Physical Description | Clear, light yellow, viscous liquid[Aldrich MSDS] |
| Schmelzpunkt | 25-32 °C |
| Siedepunkt | 178 °C/5 mmHg (lit.) |
| Dichte | 1.109 g/mL at 25 °C (lit.) |
| Dampfdichte | 4.63 (vs air) |
| Brechungsindex | n20/D 1.476(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Viscous Liquid |
| pKa (Säurekonstante) | 14.38±0.20(Predicted) |
| Farbe | light yellow |
| pH | 4.5-7.5 (300g/l, H2O, 25℃) |
| Löslichkeit | MISCIBLE |
| BRN | 1304479 |
| Henry-Konstante | 2.0×109 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides. |
| Kosmetik-Inhaltsstoffe Funktionen | HUMECTANTVISCOSITY CONTROLLINGSOLVENT |
| InChI | 1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2 |
| InChIKey | ZWVMLYRJXORSEP-UHFFFAOYSA-N |
| SMILES | OCCCCC(O)CO |
| LogP (Verteilungskoeffizient) | -0.77 at 25℃ |
| CAS Datenbank | 106-69-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2,6-Hexanetriol(106-69-4) |
| EPA chemische Informationen | 1,2,6-Hexanetriol (106-69-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.WarningH315 (11.1%): Causes skin irritation [Warning Skin corrosion/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 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2,6-HexanetriolStatus: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/219341,2,6-Hexanetriol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild skin irritantCauses changes in structure or function of endocrine pancreas and other changes to the liver in lethal-dose studies of rats (intravenous and intraperitoneal routes)Causes altered sleep time, somnolence, and respiratory stimulation in subcutaneous lethal-dose studies of rats and mice[RTECS] May cause irritation[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (11.1%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 2905 49 00 |
| RTECS-Nr. | MO4650000 |
| Toxizität | LD50 orally in Rabbit: 15500 mg/kg |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,2,6-Hexanetriol is used as moisturizing agent (cremes), as solvent (pharmaceuticals) and as crosslinker in plastics. It acts as wetting agent of tobacco and special hydraulic fluid. It is used in the production of alkyd resins, celluloid, polyurethane and synthetic rubber.