Diisodecyl Adipate
Basic information
- CAS
142-53-0- Standard SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C- InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N- Molecular formula
- C26H50O4
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.37091007
Names & identifiers
- Preferred name
- Diisodecyl Adipate
- IUPAC
- bis(8-methylnonyl) hexanedioate
- English name
- DIISODECYL ADIPATE
- Molecular formula
- C26H50O4
- Molecular weight
- 426.67
Names & synonyms
DIISODECYL ADIPATE27178-16-1Hexanedioic acid, diisodecyl esterDiisodecyl hexanedioateAdipic acid, diisodecyl esterEINECS 248-299-9HALLSTAR DIDADUB DIDA3V0Q382O0PHexanedioic acid, 1,6-diisodecyl esterAEC DIISODECYL ADIPATEEC 248-299-9
Show more names
DIDAMonoplex DDAKodaflex DIDAPlastomoll 50Plasthall DIDAisodecyladipateDiisodecyladipatBIS(8-METHYLNONYL)ADIPATE
DTXSID1027924RefChem:587829DIISODECYL ADIPATE [INCI]DTXCID101510320248-299-9Bis(8-methylnonyl) hexanedioateBis(8-methylnonyl) adipate142-53-0
Database identifiers
- CAS
142-53-0、27178-16-1- PubChem CID
- 33733
- DTXSID
DTXSID80274202- ChEMBL
CHEMBL3182959- UNII
- 3V0Q382O0P
- EC Number
- 248-299-9
- Nikkaji
- J475.150G
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Diisodecyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
FragrancesFragrance Ingredient (Di-isodecyl adipate) -> IFRA transparency List
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -59 °C · -59°C
- Boiling point
- 282 °C · 282°C
- Density
- 0 · 0,92 g/cm3
- Pour Point
- -72 · -72
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.483 · 1.483
- Flash point
- 229 °C · 229°C
- solubility
- hexane, toluene, ethanol and acetone: soluble
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (245 of 249) of all reports.
Not Classified
Aggregated GHS information provided per 249 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
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)
REACH registered substance: Diisodecyl adipate (EC: 248-299-9)
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe 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
Safety data
- PPE
- Eyeshields, Gloves
- wgk
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Diisodecyl Adipate
U.S. Production2023: 5,500,000 - <7,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Hexanedioic acid, 1,6-diisodecyl ester: ACTIVE
Applications
UsesDiisodecyl 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.
Related reactions
1 records
Compound notes
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