Isophytol

• Catalog Number: ACM505328
• Product Name: Isophytol
• CAS: 505-32-8
• Category: Alkenes
• Synonyms: 3,7,11,15-Tetramethyl-1-hexadecene-3-ol
• IUPAC Name: 3,7,11,15-Tetramethylhexadec-1-en-3-ol
• Molecular Weight: 296.53
• Molecular Formula: C20H40O
• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
• InChI: InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
• InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N
• Boiling Point: 309 °C(lit.)
• Melting Point: 43.4 °C
• Flash Point: >230 °F
• Density: 0.841 g/mL at 25 °C(lit.)
• Solubility: Very soluble in benzene, ether, ethanol
• Appearance: Clear liquid
• Application: Isophytol was used to study the acidities and acidity-catalytic activity relationships for sulfonic acid-functionalized ionic liquids with pyridinium cations. Regioselective condesation of trimethylhydroquinone with isophytol produced (±)​-​α-​tocopherol (vitamin E; Tf= CF3SO2)​.; Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
• Complexity: 259
• Exact Mass: 296.307915895
• Hazard Statements: H315-H319-H335
• Monoisotopic Mass: 296.307915895
• pKa: 14.51±0.29(Predicted)
• Refractive Index: n20/D 1.457(lit.)
• RIDADR: UN3295 - class 3 - PG 2 - EHS - VP <= 110kPa - Hydrocarbons, liquid, n.o.s., HI: A, S (not BR)
• Symbol: GHS07
• Topological Polar Surface Area: 20.2 Ų