2-(4,4-Dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid

Base Information

• Chemical Name: 2-(4,4-Dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid
• CAS No.: 54680-48-7
• Molecular Formula: C18H36 O2
• Molecular Weight: 284.48
• European Community (EC) Number: 679-806-5
• NSC Number: 83185
• DSSTox Substance ID: DTXSID60292489
• Nikkaji Number: J208.625E
• Mol file: 54680-48-7.mol

Synonyms:54680-48-7;2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid;2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid;Octanoic acid, 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-;NSC83185;NCIOpen2_005205;SCHEMBL96140;DTXSID60292489;STR02734;MFCD00135620;NSC-83185;AKOS015893952;Isostearic Acid (=2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid);CS-0453469;I0184;2-(4,4-Dimethyl-2-pentyl)-5,7,7-trimethyl-n-octanoic Acid

Chemical Property of 2-(4,4-Dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid

Chemical Property:

• Vapor Pressure: 6.64E-07mmHg at 25°C
• Refractive Index: 1.4470-1.4510
• Boiling Point: 382.3°C at 760 mmHg
• PKA: 4.80±0.50(Predicted)
• Flash Point: 165 °C
• PSA: 37.30000
• Density: 0,88 g/cm3
• LogP: 5.61200
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 294

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isostearic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(C(C)CC(C)(C)C)C(=O)O)CC(C)(C)C
• Uses: isostearic acid is an emollient that forms a lipid film on the skin permeable to water vapor, oxygen, and carbon dioxide. It can also serve as a binder in pressed powders, or as a cleansing agent, emulsifier and surfactant in other formulations. Isostearic acid is recommended for use in moisturizing cosmetics. This fatty acid is similar to the waxes secreted by birds for feather maintenance. Isostearic Acid may be a useful reagent in the regioselective preparation of alkenes via photoredox/cobaloxime dual-catalytic decarboxylative elimination of carboxylic acids,