Identifikatoren & physikalische Daten
| CAS No. | 27236-13-1 |
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| Summenformel | C6H14O2 |
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| Durchschnittliche Molmasse | 118,17 g/mol |
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| Monoisotopische Masse | 118,09937969 g/mol |
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| SMILES | OCCCCCCO |
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| InChIKey | XXMIOPMDWAUFGU-UHFFFAOYSA-N |
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| PubChem CID | 12374 |
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| ChEMBL | CHEMBL458616 |
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| ChEBI | CHEBI:43078 |
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| EC No. | 211-074-0 |
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| DTXSID | DTXSID1027265 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 31,5 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Polymers | Other Classes -> Alcohols and Polyols, Other |
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| SpringerMaterials Properties | Density |
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| LogP (Verteilungskoeffizient) | -0.11 |
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| Dichte | 0.967 g/cu cm at 25 °CDensity: 0.953 g/cm cu at 50 °C0.96 g/cm³0.967 @ 0°C0.967 g/cm3(Temp: 0 °C) |
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| Color/Form | Crystalline needles |
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| Löslichkeit | Soluble in waterSoluble in alcoholsparingly soluble in hot ether.Solubility in water: good1.000 g/l at 20 °C |
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| Flammpunkt | 101 °C102 °C (216 °F) - closed cup102.0 |
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| Siedepunkt | 208 °C250 °C @760 [mm Hg] |
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| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
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| Schmelzpunkt | 41.5 °C42.8 °C38-42 °C |
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| Dampfdichte | 4.07 (Air = 1)Relative vapor density (air = 1): 4.1 |
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| Dampfdruck | < 0.01 hPa |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 14.87±0.10(Predicted) |
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| Farbe | White |
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| Explosionsgrenze | 6.6-16 %(V) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.1% (4470 of 4556) of all reports.Not ClassifiedAggregated GHS information provided per 4556 reports by companies from 6 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 1,6-Hexanediol1,6-Hexanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediol 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: 02-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/151091,6-Hexanediol: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - 1,6-Hexanediol: Human health tier I assessment |
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| Brandgefahren | Combustible. Finely dispersed particles form explosive mixtures in air. |
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| Brandpotenzial | Combustible when exposed to heat or flame. |
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| Gefahrenübersicht | An eye irritant[ICSC] |
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| Special Reports | Organization for Economic Cooperation and DevelopmentScreening Information Data Set for Hexamethylene glycol, CAS 629-11-8 (June 2000).[Available from, as of June 12, 2017: http://www.inchem.org/pages/sids.html] |
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| EPA Safer Chemical | Chemical: 1,6-Hexanediol |
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| Luftstandards | This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Hexamethylene glycol is produced, as an intermediate or a final product, by process units covered under this subpart. |
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