Dicapryl Adipate
Basic information
- CAS
105-97-5- Standard SMILES
CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC- InChIKey
HCQHIEGYGGJLJU-UHFFFAOYSA-N- Molecular formula
- C26H50O4
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.37091008
Names & identifiers
- Preferred name
- Dicapryl Adipate
- IUPAC
- didecyl hexanedioate
- English name
- didecyl adipate
- Molecular formula
- C26H50O4
- Molecular weight
- 426.67
Names & synonyms
Didecyl adipateDidecyl hexanedioate105-97-5Adipic acid didecyl esterDi-n-Decyl adipateHexanedioic acid, didecyl esterAdipic acid, didecyl ester6I1ML2QMT3NSC 4445NSC-4445EINECS 203-349-9DTXSID0059328
Show more names
DIDECYLADIPINATEADIPICACID,DIDECYLESTERADIPICACID,DI-N-DECYLESTER
Hexanedioic acid, 1,6-didecyl esterRefChem:586602DICAPRYL ADIPATE [INCI]DTXCID7032925Adipic acid, didecyl ester (8CI)203-349-9DICAPRYL ADIPATEHexanedioic acid,1,6-didecyl ester
Database identifiers
- CAS
105-97-5- PubChem CID
- 7783
- DTXSID
DTXSID0059328- UNII
- 6I1ML2QMT3
- EC Number
- 203-349-9
- Nikkaji
- J45.499K
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 25
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Dicapryl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient; Plasticiser; Film forming
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 27.4 °C · 27.4 °C
- Boiling point
- 442 · 442.0±13.0 °C(Predicted)
- Density
- 0.918 · 0.918±0.06 g/cm3(Predicted)
- refractive index
- 1.4401 · 1.4401
- Flash point
- 405 · 405
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Viscosity
- 12 cp · 12cp (25C)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTFILM FORMINGPLASTICISER
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 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hexanedioic acid, didecyl ester
Hexanedioic acid, didecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Dicapryl Adipate
Household ProductsInformation on 3 consumer products that contain Dicapryl adipate in the following categories is provided:
Use ClassificationCosmetics -> Emollient; Plasticiser; Film forming
General Manufacturing InformationHexanedioic acid, 1,6-didecyl ester: ACTIVE
Applications
UsesPlasticizer.
Related reactions
5 records
Compound notes
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