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Diisopropyladipat
Diisopropyl hexanedioate · DIPA · betadia · beta dia · Nsc56587 · ISOADIPAT · Prodipate · crodamolda
Identifikatoren & physikalische Daten
| CAS No. | 6938-94-9 |
|---|---|
| Summenformel | C12H22O4 |
| Durchschnittliche Molmasse | 230,3 g/mol |
| Monoisotopische Masse | 230,15180918 g/mol |
| SMILES | CC(C)OC(=O)CCCCC(=O)OC(C)C |
| InChIKey | ZDQWESQEGGJUCH-UHFFFAOYSA-N |
| PubChem CID | 23368 |
| ChEMBL | CHEMBL3184058 |
| ChEBI | CHEBI:34711 |
| EC No. | 230-072-0 |
| DTXSID | DTXSID5027641 |
| Lokaler Name | Diisopropyladipat |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 197 |
| Kosmetika | Cosmetic ingredients (Diisopropyl Adipate) -> CIR (Cosmetic Ingredient Review)Emollient |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (Diisopropyl adipate) -> IFRA transparency List |
| Plasticizers | Plasticizer |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.963-0.968 (20 °C)0,97 g/cm3 |
| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol)1000g/L in organic solvents at 20 ℃180-500mg/L at 25-26℃ |
| Siedepunkt | 251.00 to 253.00 °C. @ 760.00 mm Hg251-253 °C120 °C |
| Schmelzpunkt | -1 °C-1°C(lit.) |
| Brechungsindex | 1.423-1.4271.4220-1.4250 |
| Physical Description | LiquidClear colourless liquidLight alcoholic aroma |
| Dampfdruck | 0.26-5.946Pa at 20-25℃ |
| FEMA | 4474 | DIISOPROPYL ADIPATE |
| Flammpunkt | 124 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 0[at 20 ℃] |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.963~0.970 (20/4℃) |
| Geruch | at 100.00 %. mild estery fatty sour |
| Geruchsart | estery |
| JECFA Number | 1966 |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGPLASTICISERFRAGRANCE |
| LogP (Verteilungskoeffizient) | 3.389 at 25℃ |
| CAS Datenbank | 6938-94-9(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9) |
| EPA chemische Informationen | Diisopropyl adipate (6938-94-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.WarningH315 (10.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 367 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanedioic acid, bis(1-methylethyl) esterHexanedioic acid, 1,6-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(1-methylethyl) 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: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5933Diisopropyl adipate: Does not have an individual approval but may be used under an appropriate group standard |
| EPA Safer Chemical | Chemical: Diisopropyl adipate |
| Hazard Classes and Categories | Skin Irrit. 2 (10.4%) |
| 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171200 |
| RTECS-Nr. | AV1575000 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
Anwendungen & Verwendung
Verwenden
diisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.