1,3,6-Tri-O-stearoylhexitol

Basic Information

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CAS Number

26658-19-5

Molecular Formula

C60H116O9

Molecular Weight

981.58 g/mol

EINECS

247-891-4

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

53°C

Boiling Point

>100°C (1013 hPa)

Density

0.98 g/cm3 (25℃)

Flash Point

150 °C

Vapor Pressure

<1.4 hPa (20 °C)

SMILES

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CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(COC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3

InChIKey

OIPULUQKRXSPPS-UHFFFAOYSA-N

LogP

16.85179999999997

Topological Polar Surface Area

139.59 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

1100

Safety Information

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Toxicity

LD50 orally in Rabbit: > 15900 mg/kg

Synonyms & References

English

emulsifier(s65)
EMALEX EG-2854-S
SORBITAN TRISTEARATE
SORBITANE TRISTEARATE
SPAN(R) 65
SPAN 65
SPAN(TM) 65
POE(4) SORBITAN TRISTEARATE
Sorbitan Tristearate
sorbitan tristearate (span 65)
Span 65
span (R) 65 hlb-value 2.1
Span-65
Emulsifier S-65
EmulsifierS65
Glycomul(R) TS KFG
Lonzest(R) STS
Sorbitantristearat
release agent
Cav3.1 Antibody

MDL Number

MFCD00151165

EC Number

247-891-4

Customs Code

3824 99 93

FAQ

What are the physical and chemical properties of 1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5)?

1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5) is a white crystalline solid with a high molecular weight. It has a melting point around 160-162°C. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Its reactivity is low due to the presence of long fatty acid chains, which make it stable under normal conditions. It is not flammable and has a low risk of reactivity with common laboratory reagents.

How is 1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5) typically synthesized?

1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5) is synthesized through a transesterification reaction involving hexitol and stearic acid. The reaction is typically catalyzed by a solid acid or a metal catalyst. The process involves heating hexitol with stearic acid in the presence of the catalyst to produce the tri-O-ester. The yield is around 90%, and the selectivity is high, with minimal by-products formed.

What industries use 1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5)?

1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5) is used in the pharmaceutical industry for the production of drug delivery systems and as a stabilizer in formulations. It also finds applications in the polymer industry as a compatibilizer and in sensor technology as a component in sensitive devices. Additionally, it can be used in the semiconductor industry as a surface modifier.

What precautions should be taken when handling 1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5)?

When handling 1,3,6-Tri-O-stearoylhexitol (CAS: 26658-19-5), proper personal protective equipment (PPE) should be used, including gloves and laboratory coat. It should be stored in a dry, cool, and well-ventilated area away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.