ISONONYL ISONONANOATE CAS#: 59219-71-5; 凯望编码 (ChemWhat Code): 879594

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名ISONONYL ISONONANOATE
IUPAC Name3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
分子结构ISONONYL ISONONANOATE-CAS-59219-71-5
CAS编号 59219-71-5
EINECS Number261-665-2
别名3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate
59219-71-5
Tegosoft Ini
Dermol 99
Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester
Hatcol 5131
S4V5BS6GCX
Isononanoic acid, isononyl ester
3,5,5-Trimethylhexyl-3,5,5-trimethylhexanoate
3 5 5-TRIMETHYLHEXYL 3 5 5-TRIMETHYL-
EINECS 261-665-2
UNII-S4V5BS6GCX
SALACOS 99
LANOL 99
SCHEMBL579240
3,5,5-Trimethyl-1-hexyl 3,5,5-trimethylhexanoate
KAK 99
3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester
DTXSID80866747
Isononyl 3,5,5 trimethylhexanoate
ISONONYL ISONONANOATE [INCI]
AKOS015902988
ISONONYL ISONONANOATE [WHO-DD]
NS00013782
EC 609-993-0
A832937
J-200154
Q27288595
3,5,5-trimethylhexanoic acid-3,5,5-trimethylhexyl ester
分子式C18H36O2
分子量284.5
InChIInChI=1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3
InChI KeyUIVPNOBLHXUKDX-UHFFFAOYSA-N
Isomeric SMILESCC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
Patent Information
Patent IDTitlePublication Date
US6248339Fragrant body lotion and cream2001

Physical Data

AppearanceColorless or light yellow transparent oily liquid
Boiling Point, °CPressure (Boiling Point), Torr
1303

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hcchloroform-d1400
Chemical shifts, Spectrum13Cchloroform-d1100

Route of Synthesis (ROS)

Route of Synthesis (ROS) of ISONONYL ISONONANOATE CAS 59219-71-5
Route of Synthesis (ROS) of ISONONYL ISONONANOATE CAS 59219-71-5
ConditionsYield
With 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 Code
StorageUnder the room temperature and away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量284.483
logP7.933
HBA2
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)26.3
Rotatable Bond (RotB)10
Matching Veber Rules2
Use Pattern
ISONONYL 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.

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