Grundinformationen
- Standard-SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C- InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N- Summenformel
- C26H50O4
- Durchschnittliche Molmasse
- 426,7 g/mol
- Monoisotopische Masse
- 426,37091007
Namen und Bezeichner
- Bevorzugter Name
- Diisodecyl Adipate
- IUPAC
- bis(8-methylnonyl) hexanedioate
- Lokaler Name
- Diisodecyladipat
- Englischer Name
- DIISODECYL ADIPATE
- Summenformel
- C26H50O4
- Molmasse
- 426.67
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
142-53-0、27178-16-1- PubChem CID
- 33733
- DTXSID
DTXSID80274202- ChEMBL
CHEMBL3182959- UNII
- 3V0Q382O0P
- EC Number
- 248-299-9
- Nikkaji
- J475.150G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 366
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
2745;2745
2782
Physikochemische Eigenschaften
- Schmelzpunkt
- -59 °C · -59°C
- Siedepunkt
- 282 °C · 282°C
- Dichte
- 0 · 0,92 g/cm3
- Pour Point
- -72 · -72
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.483 · 1.483
- Flammpunkt
- 229 °C · 229°C
- Löslichkeit
- hexane, toluene, ethanol and acetone: soluble
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Geruch (Odor)
- plastic dry clean
- Wasserlöslichkeit
- 100 μg/L · 100μg/L at 25℃
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENTSKIN CONDITIONING - EMOLLIENTPLASTICISERSKIN CONDITIONING
- InChI
- 1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
- InChIKey
- YKGYQYOQRGPFTO-UHFFFAOYSA-N
- SMILES
- CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
- LogP
- 11.06 at · 11.06 at 25℃
- CAS Datenbank
- 27178 · 27178-16-1(CAS DataBase Reference)
- EPA chemische Informationen
- Diisodecyl adipate (27178-16-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (245 of 249) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 245 of 249 companies (only 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 249 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 245 of 249 reports by companies.;There are 2 notifications provided by 4 of 249 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.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- nwg
- tsca
- TSCA listed
- hs_code
- 29171200
- RTECS-Nr.
- AV1485000
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing;Primary Metal Manufacturing;Plastics Product Manufacturing;Custom Compounding of Purchased Resins;Rubber Product Manufacturing;Machinery Manufacturing;Adhesive Manufacturing;All Other Chemical Product and Preparation Manufacturing
Hexanedioic acid, 1,6-diisodecyl ester: ACTIVE
Anwendungen
VerwendenDiisodecyl adipate is an adipate-based plasticizer that can be used in the development of biodegradable films using thermoplastic starch and poly(lactic acid). It may be used in the preparation of cellulose triacetate based films for the fabrication of optical devices. Diisodecyl adipate may form a blend with PVC to form polymeric membranes on electrodes for electrochemical applications.
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