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Diethylphthalat
Diethyl ester · ETHYL PHTHALATE · Neantine · TETRATHIONATE · Diethy phthalate · Diethyl phthalate (DEP) · Anozol · PHTHALOL
Identifikatoren & physikalische Daten
| CAS No. | 84-66-2 |
|---|---|
| Summenformel | C12H14O4 |
| Durchschnittliche Molmasse | 222,24 g/mol |
| Monoisotopische Masse | 222,08920893 g/mol |
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| PubChem CID | 6781 |
| ChEMBL | CHEMBL388558 |
| ChEBI | CHEBI:34698 |
| EC No. | 201-550-6 |
| DTXSID | DTXSID7021780 |
| Lokaler Name | Diethylphthalat |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 223 |
| Stoffklassen | PhthalateSemi-Volatile Organic Compound (SVOC) |
| Polymers | Plastics & Rubber -> Phthalate Esters |
| Kosmetika | Cosmetics ingredient -> FragranceOther (Specify)SolventCosmetic ingredients (Diethyl Phthalate) -> CIR (Cosmetic Ingredient Review)Hair conditioningDenaturantFilm formingPlasticiser |
| SpringerMaterials Properties | Angular frequency |
| Duftstoffe | Fragrance Ingredient (Diethyl phthalate) -> IFRA transparency List |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | log Kow = 2.47 |
| Geruch | Practically odorlessVery slight, aromatic odor. |
| Geschmack | Bitter disagreeable taste |
| Dichte | 1.12 at 68 °F (USCG, 1999) - Denser than waterwill sink1.120 at 25 °C/25 °CRelative density (water = 1): 1.11.232 @ 14°C1.12 g/mL at 25 °C (lit.) |
| Viscosity | 31.3 centistokes at 0 °C |
| Color/Form | Colorless oily liquidColorless to water-white, oily liquid. |
| Schmelzpunkt | -3 °C (lit.) |
| Siedepunkt | 298-299 °C (lit.) |
| Dampfdichte | 7.66 (vs air) |
| Dampfdruck | 1 mm Hg ( 100 °C) |
| Brechungsindex | n20/D 1.502(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Practically insoluble in water, miscible with ethanol (96 per cent).1 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | APHA: ≤15 |
| Wichte | 1.118 |
| Geruch | water-wh. oily liq., odorless, bitter taste |
| pH | 7-8 (20°C in H2O) |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 0.75%, 187°F |
| Spezifische Wärmekapazität | Cp(liquid): 1.65 J/(g·K), at 25℃ |
| Merck | 14,7371 |
| BRN | 1912500 |
| Henry-Konstante | At 25 °C: 5.01, 4.54, 4.78, 4.94, 2.21, and 2.44 (x 10-5 atmm3/mol)at pH values of 2.96, 2.98, 6.18, 6.19, 8.98, and 9.00, respectively (Hakuta et al., 1977). |
| Dielektrizitätskonstante | 7.1(45℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies. |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCEHAIR CONDITIONINGSOLVENTPLASTICISERDENATURANTFILM FORMING |
| InChI | 1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC |
| LogP (Verteilungskoeffizient) | 2.2 at 41℃ |
| Oberflächenspannung | 36.93 mN/m at 24° |
| CAS Datenbank | 84-66-2(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl phthalate(84-66-2) |
| EPA chemische Informationen | Diethyl phthalate (84-66-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.7% (1710 of 1769) of all reports.Not ClassifiedAggregated GHS information provided per 1769 reports by companies from 21 notifications to the ECHA C&L Inventory.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]P273, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzenedicarboxylic acid, 1,2-diethyl esterHazard Traits - Developmental ToxicityEndocrine ToxicityImmunotoxicityOther Toxicological Hazard TraitsReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended)1,2-Benzenedicarboxylic acid, 1,2-diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1,2-diethyl 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14869Diethyl phthalate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,2-Benzenedicarboxylic acid, diethyl ester: Human health tier I assessment |
| Brandgefahren | Special Hazards of Combustion Products: Irritating vapors of unburned chemical may form in fire. (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | Combustible |
| Gesundheitsgefahren | Symptoms unlikely from any form of exposure. (USCG, 1999) |
| Gefahrenübersicht | Diethyl phthalate is a colorless liquid that has a bitter, disagreeable taste. This synthetic substance is commonly used to make plastics more flexible. Products in which it is found include toothbrushes, automobile parts, tools, toys, and food packaging. Diethyl phthalate can be released fairly easily from these products, as it is not part of the chain of chemicals (polymers) that makes up the plastic. Diethyl phthalate is also used in cosmetics, insecticides, and aspirin. |
Anwendungen & Verwendung
Beschreibung
Diethyl phthalate (DEP) is a member of the group of esters of phthalic acid known as phthalates, used ubiquitously as solvents and plasticisers worldwide. DEP can increases the flexibility of plastics. It is also contained in deodorant formulations, perfumes, emollients and insect repellents. It can cross react with dimethyl phtalate.
Verwenden
Diethyl phthalate is a Plasticizer for cellulose ester plastic films and sheets; in molded plastics; manufacturing varnishes; cosmetics.