3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate

Basic Information

View in Editor

CAS Number

12772-47-3

Molecular Formula

C23H44O5

Molecular Weight

400.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

View in Editor

CCCCCCCCC=CCCCCCCCC(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3

InChIKey

QQVGEJLUEOSDBB-UHFFFAOYSA-N

LogP

4.530400000000006

Topological Polar Surface Area

86.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

285

Synonyms & References

English

12772-47-3
Pentaerythritol oleate
EINECS 235-816-8
9-Octadecenoic acid (Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
2,2-Bis(hydroxymethyl)propane-1,3-diol;(Z)-octadec-9-enoic acid
PENTALYN
3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate
PENTAERYTHRITOL OLEATE
(9Z)-octadec-9-enoic acid - 2,2-bis(hydroxymethyl)propane-1,3-diol (1:1)
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadec-9-enoate
9-Octadecenoic acid (9Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
Pentol.
9-Octadecensure (Z)-, Ester mit 2,2-Bis(hydroxymethyl)-1,3-propandiol
9-Octadecenoic acid (Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol Pentaerythritol oleate 9-octadecenoic acid (z)-, ester with2,2-bis(hydroxymethyl)-1,3-propanediol 9-Octadecenoic acid(Z)-,ester with 2,2-bis(hydroxymethyl)-1,3-propanediol

FAQ

What are the physical and chemical properties of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate (CAS: 12772-47-3)?

3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate is a liquid at room temperature with a molecular weight of approximately 350 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is reactive, particularly towards nucleophiles and bases, making it suitable for various applications in chemistry.

How is 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate (CAS: 12772-47-3) typically synthesized?

3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate is synthesized through a multi-step process involving acylation and subsequent addition reactions. Common catalysts include titanium tetrachloride, and the process yields a product with high selectivity and good yield, making it ideal for industrial applications.

What industries use 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate (CAS: 12772-47-3)?

3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate finds applications in the pharmaceutical industry for the synthesis of certain drug molecules, as well as in the polymer industry for developing novel materials. It is also used in the production of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate (CAS: 12772-47-3)?

When handling 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 9-octadecenoate, it is essential to wear personal protective equipment (PPE) including gloves and safety goggles. Work should be conducted in a well-ventilated environment or a fume hood to minimize inhalation risks. In case of a spill, follow the safety data sheet (SDS) guidelines for cleanup and consult with a chemical safety professional if necessary.