Octadecyl 3,4,5-trihydroxybenzoate

Basic Information

View in Editor

CAS Number

10361-12-3

Molecular Formula

C25H42O5

Molecular Weight

422.61 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

103.0 to 106.0 deg-C

Boiling Point

583°C at 760 mmHg

Density

1.048

Flash Point

187.8°C

Refractive Index

1.519

SMILES

View in Editor

CCCCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O

InChI

InChI=1S/C25H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(29)21-19-22(26)24(28)23(27)20-21/h19-20,26-28H,2-18H2,1H3

InChIKey

BRNPAEUKZMBRLQ-UHFFFAOYSA-N

LogP

7.221700000000009

Topological Polar Surface Area

86.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

402

Synonyms & References

English

Octadecyl 3,4,5-trihydroxybenzoate
Octadecyl Gallate
Stearyl Gallate
Gallicacidstearylester
3,4,5-Trihydroxybenzoic acid stearyl ester
Gallic Acid Stearyl Ester
Benzoic acid, 3,4,5-trihydroxy-, octadecyl ester
3,4,5-trihydroxy benzoic acid stearyl ester
M6740S6023
Nipagallin ST
Marupi gallate S
Stearyl gallate [INCI]
Gallic acid, octadecyl ester
Stearyl-gallat
3,4,5-Trihydroxybenzoic acid octadecyl ester
KSC492Q4L
Jsp000365
Gallic acid stearyl ester

MDL Number

MFCD01753118

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Octadecyl 3,4,5-trihydroxybenzoate (CAS: 10361-12-3)?

Octadecyl 3,4,5-trihydroxybenzoate is a white crystalline solid with a molecular weight of approximately 324.43 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound is relatively stable under normal laboratory conditions but can react with bases to form sodium salts. It has a melting point of around 120-125°C.

How is Octadecyl 3,4,5-trihydroxybenzoate (CAS: 10361-12-3) typically synthesized?

Octadecyl 3,4,5-trihydroxybenzoate is typically synthesized via the esterification of 1,2,3-propanetriol with 18-hydroxybenzoic acid in the presence of a strong acid catalyst such as sulfuric acid. The reaction yields a mixture of isomers, and the desired product is isolated by column chromatography. The yield is usually around 70-80%.

What industries use Octadecyl 3,4,5-trihydroxybenzoate (CAS: 10361-12-3)?

Octadecyl 3,4,5-trihydroxybenzoate finds applications in the pharmaceutical industry for its use as a surfactant and emulsifier in drug formulations. It is also used in the polymer industry as a plasticizer and in the manufacture of sensors for its optical properties. Additionally, it is employed in semiconductor manufacturing processes due to its stability and solubility characteristics.

What precautions should be taken when handling Octadecyl 3,4,5-trihydroxybenzoate (CAS: 10361-12-3)?

When handling Octadecyl 3,4,5-trihydroxybenzoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. It should be stored in a cool, dry place away from direct sunlight. In case of spill, use appropriate spill kits and ensure proper disposal. Always consult the Safety Data Sheet (SDS) for detailed information on safe handling and storage.