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Di(2-ethylhexyl) phthalate
DEHP · DOP · DEHP-D4 · Behp · 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester · DI-2-ETHYLHEXYL PHTHALATE · Diisocapryl phthalate · Di(ethylhexyl) phthalate
Identifikatoren & physikalische Daten
| CAS No. | 117-81-7 |
|---|---|
| Summenformel | C24H38O4 |
| Durchschnittliche Molmasse | 390,6 g/mol |
| Monoisotopische Masse | 390,2770097 g/mol |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC |
| InChIKey | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| PubChem CID | 8343 |
| ChEMBL | CHEMBL1242017 |
| ChEBI | CHEBI:17747 |
| EC No. | 204-211-0 |
| DTXSID | DTXSID5020607 |
Chemische & physikalische Eigenschaften
| XLogP | 7,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 16 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 394 |
| Stoffklassen | Hazardous Air Pollutants (HAPs)CarcinogensPhthalateSemi-Volatile Organic Compound (SVOC) |
| Polymers | Plastics -> PURPVC (soft)ABS(E)PSPlastics -> Plasticisers |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | log Kow = 7.605.037.3 |
| Geruch | Slight odor |
| Plasticizers | Plasticizers |
| Dichte | 0.98 at 77 °F (USCG, 1999) - Less dense than waterwill float0.981 g/cu cm at 25 °CRelative density (water = 1): 0.9860.990.981 @25 °C0.985 g/mL at 20 °C (lit.) |
| Viscosity | 22 cSt at 20 °C386 cSt at 0 °C5 cSt at 100 °C |
| Color/Form | LiquidColorless, oily liquid |
| Löslichkeit | less than 0.1 mg/mL at 72 °F (NTP, 1992)In water, 2.70X10-1 mg/L at 25 °CLESS THAN 0.01% IN WATER @ 25 °CSoluble in blood and fluids containing lipoproteinsMISCIBLE WITH MINERAL OIL & HEXANESlightly soluble in carbon tetrachlorideMiscible with mineral oil and hexane (U.S. EPA, 1985)Negligible |
| Flammpunkt | 405 °F (NTP, 1992)420 °F (215 °C) (Open cup)215 °C o.c.420 °F (open cup)(oc) 420 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | -50 °C |
| Siedepunkt | 386 °C (lit.) |
| Dampfdichte | >16 (vs air) |
| Pour Point | -46 |
| Dampfdruck | 1.2 mm Hg ( 93 °C) |
| Brechungsindex | n20/D 1.488 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | APHA: ≤10 |
| Geruch | Very slight, characteristic. |
| Spezifische Wärmekapazität | Cp(liquid): 1.8 J/(g·K), at 25℃ |
| Merck | 14,2864 |
| BRN | 1890696 |
| Henry-Konstante | (x 10-5 atmm3/mol): 1.1 at 25 °C (calculated, Howard, 1989) |
| Dielektrizitätskonstante | 5.1(24℃) |
| Kosmetik-Inhaltsstoffe Funktionen | PLASTICISERPERFUMINGSOLVENTFRAGRANCE |
| InChI | 1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 |
| InChIKey | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC |
| LogP (Verteilungskoeffizient) | 7.5 at 20℃ |
| CAS Datenbank | 117-81-7(CAS DataBase Reference) |
| NIST chemische Informationen | Bis(2-ethylhexyl)phthalate(117-81-7) |
| EPA chemische Informationen | Di(2-ethylhexyl) phthalate (117-81-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360FD: May damage fertilityMay damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1071) of reports.H360 (94.5%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) esterHazard Traits - BioaccumulationCarcinogenicityDevelopmental ToxicityEndocrine ToxicityEnvironmental PersistenceHepatotoxicity and Digestive System ToxicityImmunotoxicityReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended)1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) 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: 19-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15358Restricted substance: Bis (2-ethylhexyl) phthalate (DEHP) |
| Weitere Sicherheitsinformationen | IMAP assessments - Phthalate esters: Environment tier II assessment |
| Brandgefahren | Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Gesundheitsgefahren | Inhalation can cause nausea and irritation of nose and throat. Contact of liquid with eyes or skin causes irritation. Ingestion can cause abdominal cramps, nausea and diarrhea. (USCG, 1999) |
| Gefahrenübersicht | Di(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP is a colorless liquid with almost no odor. DEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags. |
Anwendungen & Verwendung
Verwenden
Bis(2-ethylhexyl) phthalate is commonly used plasticizing agent for PVCs, which as such is a component of blood bank bags, surgical tubing, and other products including food wrappers and children’s toys.