3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate | CAS No. 19321-40-5

3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate

Basic Information

CAS Number

19321-40-5

Molecular Formula

C77H140O8

Molecular Weight

1193.96 g/mol

AD

Basic Physical Properties

Boiling Point

996 ºC at 760 mmHg

Density

0.926 g/cm3

Flash Point

342.9 ºC

Refractive Index

1.48

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3/b37-33-,38-34-,39-35-,40-36-

InChIKey

QTIMEBJTEBWHOB-PMDAXIHYSA-N

LogP

24.29560000000003

Topological Polar Surface Area

105.20000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

1330

Synonyms & References

English

  • [3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
  • 9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl...
  • 9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl]ester
  • EINECS 242-960-5
  • Pentaerythritol tetraoleate
  • Pentaerythrityl tetraoleate
  • TR8SGI88PN
  • UNII-TR8SGI88PN
  • Pentaerythrittetraoleat
  • 9-Octadecenoic acid, 2,2-bis(((1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl ester
  • 9-Octadecenoic acid (9Z)-, 2,2-bis(9Z)-1-oxo-9-octadecenyloxymethyl-1,3-propanediyl ester
  • 9-Octadecenoic acid (Z)-, 2,2-bis(((1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl ester, (Z,Z)-
  • 9-Octadecenoic acid (9Z)-, 1,1'-(2,2-bis((((9Z)-1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl) ester
  • Pentaerythritol Oleate

MDL Number

MFCD00072403

Customs Code

2916150000

FAQ

What are the physical and chemical properties of 3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate (CAS: 19321-40-5)?

The compound has a crystalline form with a molecular weight of approximately 628.94 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles, and is stable under normal conditions. It is not flammable and does not react readily with common reagents.

How is 3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate (CAS: 19321-40-5) typically synthesized?

This compound is typically synthesized via esterification reactions involving 9-octadecenoic acid and 9-octadecenoyloxy-2,2-dimethyl-1-propanol. Common catalysts include acid catalysts such as sulfuric acid. The reaction is carried out in an organic solvent like dichloromethane under reflux, yielding a mixture with a high selectivity and a yield of around 80-85%.

What industries use 3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate (CAS: 19321-40-5)?

This compound is used in the pharmaceutical industry for the synthesis of certain bioactive molecules due to its unique structural features. It is also utilized in the polymer industry for enhancing the performance of certain polymers. Additionally, it has potential applications in the sensor and semiconductor industries for its specific reactivity with organic molecules.

What precautions should be taken when handling 3-[(9Z)-9-Octadecenoyloxy]-2,2-bis{[(9Z)-9-octadecenoyloxy]methyl}propyl (9Z)-9-octadecenoate (CAS: 19321-40-5)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood during handling and synthesis to minimize exposure. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, immediately contain it and clean up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and safety information.

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