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Hexamethylendiacrylat
HDDA · 1,6-HEXANEDIOL DIACRYLATE · Hexanediol acrylate · HDODA · Hexane-1,6-diyl diacrylate · Hexamethylendiacrylat · 1,6-Hexanediol diacrylate,HDODA · c716
Identifikatoren & physikalische Daten
| CAS No. | 13048-33-4 |
|---|---|
| Summenformel | C12H18O4 |
| Durchschnittliche Molmasse | 226,27 g/mol |
| Monoisotopische Masse | 226,12050906 g/mol |
| SMILES | C=CC(=O)OCCCCCCOC(=O)C=C |
| InChIKey | FIHBHSQYSYVZQE-UHFFFAOYSA-N |
| PubChem CID | 25644 |
| ChEMBL | CHEMBL1530684 |
| EC No. | 235-921-9 |
| DTXSID | DTXSID9025401 |
| Lokaler Name | Hexamethylendiacrylat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 219 |
| Polymers | Plastics & Rubber -> (Meth)acrylates |
| LogP (Verteilungskoeffizient) | log Kow = 3.08 /Estimated/ |
| Dichte | 1.01 @25 °C1.01 g/mL at 25 °C (lit.) |
| Löslichkeit | less than 0.1 mg/mL at 64 °F (NTP, 1992)Chlroform (Slightly), DMSO (Slightly)Slightly miscible with water. |
| Flammpunkt | greater than 200 °F (NTP, 1992)>200 °F>230 °F |
| Siedepunkt | 224.6 °F295°C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Schmelzpunkt | 41 °F6°C |
| Dampfdruck | 0.01 [mmHg]0.017 mm Hg @ 25 °C /Estimated/0.017 [mm Hg] @25 °C<0.01 mm Hg ( 20 °C) |
| Henry-Konstante | Henry's Law constant = 3.7X10-8 atm cu m/mol @ 25 °C /Estimated/ |
| Physical Description | 1,6-hexanediol diacrylate is a clear yellow liquid. (NTP, 1992)CBIClear yellow liquid[CAMEO]Clear yellow liquid with a mild ester-like odor. |
| Collision Cross Section | 157.7 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9025401] |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.456(lit.) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| Farbe | Colourless |
| Wichte | 1.01 |
| Geruch | Mild ester-like odor |
| Stabilität | Light Sensitive |
| InChI | 1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2 |
| InChIKey | FIHBHSQYSYVZQE-UHFFFAOYSA-N |
| SMILES | C=CC(=O)OCCCCCCOC(=O)C=C |
| LogP (Verteilungskoeffizient) | 2.81 at 25℃ |
| CAS Datenbank | 13048-33-4(CAS DataBase Reference) |
| NIST chemische Informationen | Hexamethylene diacrylate(13048-33-4) |
| EPA chemische Informationen | 1,6-Hexanediol diacrylate (13048-33-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 3404) of reports.H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propenoic acid, 1,6-hexanediyl ester2-Propenoic acid, 1,1'-(1,6-hexanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-(1,6-hexanediyl) ester 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: 08-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/146901,6-Hexanediol diacrylate: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gefahrenübersicht | Allergic contact dermatitis reported in a laboratory worker in a paint manufacturing factory[Kanerva, p. 1742] Can undergo exothermic polymerization reactionsTemperature sensitiveMay auto-oxidize on exposure to air forming explosive peroxides[CAMEO] Classified in the EU as a skin and eye irritant with the possibility of causing skin sensitization[IUCLID] May spontaneously polymerizeA skin and strong eye irritantMay cause skin sensitization[Alfa Aesar MSDS] |
| Reaktive Gruppe | Acrylates and Acrylic Acids |
| Reactivity Alerts | Polymerizable |
Anwendungen & Verwendung
Beschreibung
Sensitizaion occurred after accidental occupational exposure in an employee in the laboratory of a plastic paint factory.
Verwenden
1,6-Hexandiol diacrylate is used in organic synthesis; common acrylic monomer in UV -cured inks, adhesives, coatings, photoresists, castings, artificial nails, etc.; monomer in dental composite materials.