Isophytol

• CAS: 505-32-8
• Catalog Number: ACM505328
• Category: Alkenes
• Molecular Weight: 296.53
• Molecular Formula: C20H40O
• Synonyms: 3,7,11,15-Tetramethyl-1-hexadecene-3-ol
• IUPAC Name: 3,7,11,15-Tetramethylhexadec-1-en-3-ol
• 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

Custom Q&A

What is the molecular formula of Isophytol according to the reference?

The molecular formula of Isophytol is C20H40O.

What are some synonyms for Isophytol mentioned in the reference?

Some synonyms for Isophytol include ISOPHYTOL, 3,7,11,15-Tetramethylhexadec-1-en-3-ol, and 3,7,11,15-Tetramethyl-1-hexadecen-3-ol.

When was Isophytol first created?

Isophytol was first created on March 26, 2005.

What is the molecular weight of Isophytol?

The molecular weight of Isophytol is 296.5 g/mol.

What is the InChIKey for Isophytol?

The InChIKey for Isophytol is KEVYVLWNCKMXJX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Isophytol have?

Isophytol has 1 hydrogen bond donor count.

What is the topological polar surface area of Isophytol?

The topological polar surface area of Isophytol is 20.2Ų.

What is the exact mass of Isophytol?

The exact mass of Isophytol is 296.307915895 g/mol.

How many rotatable bond counts does Isophytol have?

Isophytol has 13 rotatable bond counts.

What is the complexity value of Isophytol?

The complexity value of Isophytol is 259.