Isophytol

Catalog Number

ACM505328

CAS

505-32-8

Structure

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

Purity

98%

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

References

Xing, H., et al.: J. Mol. Catal. A: Chem., 264, 53 (2007); Hasegawa, A., Angew. Chem. Int. Ed., 42, 5731 (2003).

Refractive Index

n20/D 1.457(lit.)

Topological Polar Surface Area

20.2 Ų

• Catalog Number: ACM505328
• CAS: 505-32-8
• 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
• Purity: 98%
• 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
• References: Xing, H., et al.: J. Mol. Catal. A: Chem., 264, 53 (2007); Hasegawa, A., Angew. Chem. Int. Ed., 42, 5731 (2003).
• Refractive Index: n20/D 1.457(lit.)
• Topological Polar Surface Area: 20.2 Ų