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ISONONYL ISONONANOATE CAS#: 59219-71-5
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameISONONYL ISONONANOATEIUPAC Name3,5,5-trimethylhexyl 3,5,5-trimethylhexanoateMolecular StructureCAS Registry Number 59219-71-5EINECS Number261-665-2Synonyms3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate59219-71-5Tegosoft IniDermol 99Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl esterHatcol 5131S4V5BS6GCXIsononanoic acid, isononyl ester3,5,5-Trimethylhexyl-3,5,5-trimethylhexanoate3 5 5-TRIMETHYLHEXYL 3 5 5-TRIMETHYL-EINECS 261-665-2UNII-S4V5BS6GCXSALACOS 99LANOL 99SCHEMBL5792403,5,5-Trimethyl-1-hexyl 3,5,5-trimethylhexanoateKAK 993,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl esterDTXSID80866747Isononyl 3,5,5 trimethylhexanoateISONONYL ISONONANOATE AKOS015902988ISONONYL ISONONANOATE NS00013782EC 609-993-0A832937J-200154Q272885953,5,5-trimethylhexanoic acid-3,5,5-trimethylhexyl esterMolecular FormulaC18H36O2Molecular Weight284.5InChIInChI=1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3InChI KeyUIVPNOBLHXUKDX-UHFFFAOYSA-NIsomeric SMILESCC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C

Patent InformationPatent IDTitlePublication DateUS6248339Fragrant body lotion and cream2001

Physical Data

AppearanceColorless or light yellow transparent oily liquid

Boiling Point, °CPressure (Boiling Point), Torr1303

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hcchloroform-d1400Chemical shifts, Spectrum13Cchloroform-d1100

Route of Synthesis (ROS)

Route of Synthesis (ROS) of ISONONYL ISONONANOATE CAS 59219-71-5

ConditionsYieldWith bis(1,5-cyclooctadiene)nickel(0); 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene In toluene at 23 - 60℃; Tishchenko reaction; Inert atmosphere;96%

Safety and Hazards

No data available

Other Data

HS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight284.483logP7.933HBA2HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)26.3Rotatable Bond (RotB)10Matching Veber Rules2

Use PatternISONONYL ISONONANOATE CAS#: 59219-71-5 is a low-viscosity oil ester with a special oil effect. It can form a hydrophobic film on the skin surface to prevent the natural evaporation of water, making the skin smooth, soft, fresh and non-greasy. It has extremely high solubility in silicone oil, and colloidal silicone oil is also soluble, which can solve the problem of low-temperature precipitation of silicone oil, and is very stable in formulas containing silicone oil. In addition, it also has good dispersion properties for colored materials. Widely used and in high demand.
https://www.chemwhat.com/3-5-5-trimethylhexyl-3-5-5-trimethyl-cas-59219-71-5/

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