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Bis(tridecyl)adipat
DTDA · Ditridecyladipat · Einecs 241-029-0 · Ditridecyl dimerate · DI(TRIDECYL) ADIPATE · bis(tridecyl) adipate · Ditridecyl hexanedioate · LZJUZSYHFSVIGJ-UHFFFAOYSA-N
Identifikatoren & physikalische Daten
| CAS No. | 16958-92-2 |
|---|---|
| Summenformel | C32H62O4 |
| Durchschnittliche Molmasse | 510,8 g/mol |
| Monoisotopische Masse | 510,46481046 g/mol |
| SMILES | CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC |
| InChIKey | LZJUZSYHFSVIGJ-UHFFFAOYSA-N |
| PubChem CID | 85653 |
| EC No. | 241-029-0 |
| DTXSID | DTXSID9027786 |
| Lokaler Name | Bis(tridecyl)adipat |
Chemische & physikalische Eigenschaften
| XLogP | 12,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 31 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 421 |
| Stoffklassen | Other Classes -> Esters, Other |
| Polymers | Plastics -> PlasticisersPlastics -> PURPVC (soft) |
| Kosmetika | Cosmetic ingredients (Ditridecyl Adipate) -> CIR (Cosmetic Ingredient Review)Emollient |
| Plasticizers | Plasticizer |
| Physical Description | LiquidClear colorless liquid with a mild odor[ExxonMobil MSDS] |
| Schmelzpunkt | 45.9 °C |
| Siedepunkt | 503.0±18.0 °C(Predicted) |
| Dichte | 0.906±0.06 g/cm3(Predicted) |
| Pour Point | -57 |
| Brechungsindex | 1.459 |
| Flammpunkt | 455 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGSOLVENT |
| LogP (Verteilungskoeffizient) | 13.177 (est) |
| EPA chemische Informationen | Hexanedioic acid, ditridecyl ester (16958-92-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.8% (548 of 566) of all reports.Not ClassifiedAggregated GHS information provided per 566 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanedioic acid, ditridecyl esterHexanedioic acid, 1,6-ditridecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-ditridecyl 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: 09-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12530Hexanedioic acid, ditridecyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Gefahrenübersicht | May cause irritationLow order of toxicity[ExxonMobil MSDS] No mortalities observed in dermal lethal-dose study of rabbitsNo systemic toxicity observed in 13-week dermal study of rats at doses up to 2,000 mg/kg/dayOther category members and supporting chemicals demonstrated effects including histopathological changes of the kidney and liver, changes in enzyme activities, lesions of heart, kidney, and liver in repeated-dose oral and dermal studiesDevelopmental toxicity at or below doses maternally toxicNo effects to gonadsNo evidence of mutagenicity[EPA ChAMP: Screening Level Hazard Characterization: Diesters] This document also reviews several other diesters in Haz-Map: Di-2-ethylhexyl maleate, Diisooctyl adipate, Di-2-ethylhexyl azelate, Bis(2-ethylhexyl) sebacate, and Di(2-ethylhexyl) adipate. |
| Hazard Classes and Categories | Not Classified |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| Toxicity Data | LC50 (rat) > 3,200 mg/m3/4hr |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Ditridecyl Adipate can be used as a skin conditioning or fragrance ingredient, plasticizer, solvent or emollient in cosmetics. Also used in combination with other compounds as a finisher for texturing of polyester yarns.