2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctadecanoate

Basic Information

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CAS Number

13081-97-5

Molecular Formula

C41H80O6

Molecular Weight

669.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

72 °C

Boiling Point

680.8±50.0 °C at 760 mmHg

Density

0.9±0.1 g/cm3

Flash Point

183.7±23.6 °C

Vapor Pressure

0.0±4.8 mmHg at 25°C

SMILES

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CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3

InChIKey

FSEJJKIPRNUIFL-UHFFFAOYSA-N

LogP

11.56679999999999

Topological Polar Surface Area

93.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

610

Synonyms & References

English

Octadecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
Pentaerythritol Distearate (so called)[Lubricants]
[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate
PENTAERYTHRITOL DISTEARATE [LUBRICANTS]
2,2-bis(hydroxymethyl)propane-1,3-diyl distearate
697WOT8HNB
EINECS 235-991-0
O,O'-distearoyl-pentaerythritol
Octadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester
P0738
Pentaerythrit-distearat
pentaerythritol distearate
Pentaerythrityl distearate
UNII-697WOT8HNB
(so called) [Lubricants]
Pentaerthrityl distearate
Pentaerythritol dioctadecanoate
Pentaerythritol Distearate Pentaerythritoldistearate"socalled"
stearic acid (2,2-dimethylol-3-stearoyloxy-propyl) ester
pentaerythritoldistearate
PENTAERYTHRITOL DISTEARATE
PENTAERYTHRITYL DISTEARATE

MDL Number

MFCD00059225

Customs Code

2915900090

FAQ

What regulatory guidelines apply to 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctadecanoate (CAS: 13081-97-5)?

This compound is subject to various regulatory guidelines including GHS classification for hazardous materials, REACH regulations in the EU, and FDA/EPA requirements for safety and environmental impact assessments. Specific regulations may vary based on the intended use and geographical region.

Are there alternatives to 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctadecanoate in synthesis?

Alternatives to this compound in synthesis include other types of esters and fatty acids, such as octadecanol or other diols. These can serve as substitutes depending on the specific application requirements and availability.

What is the market or research trend for 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctadecanoate?

The market trend for this compound shows increasing interest in its use in personal care and pharmaceutical industries due to its biocompatibility and lubricating properties. Research is also focusing on its potential applications in sustainable materials and green chemistry.

How should waste containing 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctadecanoate be handled?

Waste containing this compound should be collected and disposed of in accordance with local environmental regulations. Professional waste disposal services are recommended to ensure safe incineration or appropriate treatment methods are used to minimize environmental impact.