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Dibutyladipat
Dibutyl hexanedioate · Cetiol B · Di-n-butyl adipate · ADIPIC ACID DIBUTYL ESTER · ADIPIC ACID DI-N-BUTYL ESTER · Hexanedioic acid dibutyl ester · Dibutyl adipate ISO 9001：2015 REACH · 3ps
Identifikatoren & physikalische Daten
| CAS No. | 105-99-7 |
|---|---|
| Summenformel | C14H26O4 |
| Durchschnittliche Molmasse | 258,35 g/mol |
| Monoisotopische Masse | 258,18310931 g/mol |
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
| PubChem CID | 7784 |
| ChEMBL | CHEMBL3188143 |
| ChEBI | CHEBI:34686 |
| EC No. | 203-350-4 |
| DTXSID | DTXSID2021866 |
| Lokaler Name | Dibutyladipat |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 202 |
| LogP (Verteilungskoeffizient) | 4.17 |
| Dichte | Relative density (water = 1): 0.960.962 g/mL at 25 °C (lit.) |
| Löslichkeit | Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)Chloroform, Methanol (Slightly)35mg/L at 25℃ |
| Flammpunkt | 113 °C c.c.>230 °F |
| Siedepunkt | 183 °C305 °C (lit.) |
| Schmelzpunkt | -38 °C-32 °C |
| Dampfdichte | Relative vapor density (air = 1): 8.9 |
| Dampfdruck | Vapor pressure, Pa at 25 °C: 0.0210.021Pa at 25℃ |
| Physical Description | COLOURLESS LIQUID. |
| Kovats Retention Index | 1731.61754172717331734173017321766 |
| Collision Cross Section | 180.8 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2021866] |
| Brechungsindex | n20/D 1.436(lit.) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGPLASTICISERFILM FORMING |
| InChI | 1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3 |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| LogP (Verteilungskoeffizient) | 4.007 (est) |
| CAS Datenbank | 105-99-7(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanedioic acid, dibutyl ester(105-99-7) |
| EPA chemische Informationen | Dibutyl adipate (105-99-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 84.9% (146 of 172) of all reports.H411 (14.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 146 of 172 reports by companies.There are 3 notifications provided by 26 of 172 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanedioic acid, dibutyl esterHexanedioic acid, 1,6-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dibutyl 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: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5939Dibutyl adipate: 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 |
| Brandgefahren | Combustible. |
| UN-Einstufung | UN Hazard Class: 9UN Pack Group: III |
| EPA Safer Chemical | Chemical: Di-n-butyl adipateGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data. |
| Hazard Classes and Categories | Aquatic Chronic 2 (14.5%)Reproductive toxicity - Category 2Hazardous to the aquatic environment (Acute) - Category 2Hazardous to the aquatic environment (Long-term) - Category 2 |
| Brandbekämpfung | Use water spray, dry powder. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Rinse skin with plenty of water or shower.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Give one or two glasses of water to drink. |
| Sichere Lagerung | Separated from strong oxidants and strong acids. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. |
| Verschüttetes entsorgen | Personal protection: protective gloves. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | Evaporation at 20 °C is negligiblea nuisance-causing concentration of airborne particles can, however, be reached quickly on spraying. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT GENERATION OF MISTS! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation. |
| Effects of Short Term Exposure | The substance is mildly irritating to the skin. |
| 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 |
| Signs and Symptoms | Cough.Redness. |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3082 |
| Zollcode | 29171200 |
| RTECS-Nr. | AV0900000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 oral in rat: 12900mg/kg |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Dibutyl adipate is used in cosmetic formulations as a plasticizer, a skin-conditioning agent, and a solvent .