Dicapryl Adipate

HCID 7783CAS 105-97-5

Substructure search Find similar structures

Basic information

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 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 25
Heavy atoms: 30
Formal charge: 0
Complexity: 345

Experimental & physicochemical properties

Cosmetics · 2 items

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
Indirect Additives used in Food Contact Substances: DIDECYL ADIPATE
FDA 21 CFR: 177.26 · 177.2600
FDA UNII: 6 I1ML2QMT3 · 6I1ML2QMT3
EPA Substance Registry System: Didecyl adipate (105-97-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 3 items

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 · 2 items

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