1170-77-0

Usage

Chemical structure

A benzene ring with two hydroxyl groups (1,2-Benzenediol) and an attached 4-octadecyl chain.

Functional groups

Hydroxyl groups (-OH) and an alkyl chain (4-octadecyl).

Molecular weight

Approximately 362.63 g/mol (calculated from the molecular formula).

Physical state

Likely a liquid or a semi-solid at room temperature, due to the presence of the long alkyl chain.

Uses

a. Surfactant and emulsifier in consumer products (cosmetics, shampoos, lotions).
b. Stabilizer to improve texture and consistency of products.
c. Lubricant additive.
d. Manufacturing of industrial products.

Safety precautions

a. Harmful if ingested or inhaled.
b. Can cause skin and eye irritation.
c. Handle with caution and follow safety guidelines.

Solubility

Likely soluble in organic solvents, such as alcohols and hydrocarbons, due to the presence of the hydrophobic alkyl chain.

Reactivity

May react with strong acids, bases, or oxidizing agents, as the hydroxyl groups are reactive functional groups.

Upstream product

• 1177-44-2 4-stearoylpyrocatechol 
• 1539286-73-1 C₂₆H₄₆O₂ 
• 57-11-4 stearic acid 
• 120-80-9 benzene-1,2-diol 

Downstream Products

• 74061-22-6 3-steraoyl-5-octadecylpyrocatechol 
• 74061-21-5 2-stearoyloxy-5-octadecylphenol 
• 74061-24-8 3,5-dioctadecyl-4,6-dichloro-1,2-benzoquinone 
• 74061-23-7 3,5-dioctadecylpyrocatechol 
• 74061-20-4 1-octadecyl-3,5,6-trichloro-1,2-benzoquinone 

Relevant academic research and scientific papers

Phase behavior and molecular packing of octadecyl phenols and their methyl ethers at the air/water interface

Noncovalent molecular interactions, such as hydrogen bonding and van der Waals forces, play an important role in self-assembling to supramolecular structures. To study these forces, we chose monolayers at the air/water interface to limit the possible arrangements of the interacting molecules. Furthermore, monolayers provide useful tools to understand and study interactions between molecules in a controlled and fundamental way. The phase behavior and molecular packing of the phenols 1-(4-hydroxyphenyl)-octadecane (5a), 1-(3,4-dihydroxyphenyl)-octadecane (6), and 1-(2,3,4-trihydroxyphenyl)- octadecane (3) and their methyl ethers in monolayers at the air/water interface have been examined by π/A isotherms, Brewster angle microscopy (BAM), grazing incidence X-ray diffraction (GIXD) measurements, and density functional theory (DFT) calculations. The phenols are synthesized by Friedel-Crafts acylation of methoxybenzenes, hydrogenation of the resulting aryl ketones, and cleavage of the aryl methyl ethers. In the π/A isotherms and in BAM, the phenols show patches of the solid condensed phase at large molecular areas and the monolayers collapse at high pressures. Furthermore, the dimensions of the unit cell obtained by GIXD measurements are compatible with an arrangement of the phenyl rings that allows one aryl ring to interact with four adjacent phenyl rings in an edge-to-face arrangement, which leads to a significant binding energy. The experimental data are in good agreement with DFT calculations of 2D crystalline benzene and p-cresol arrangements. The enhanced monolayer stability of phenol 5a can be explained by hydrogen bonds of the hydroxyl group with water and van der Waals forces between the alkyl chains and aryl-aryl interactions.

SYNTHESIS OF 4-OCTADECYL-3,5,6-TRICHLORO- AND 3,5-DIOCTADECYL-4,6-DICHLORO-1,2-BENZOQUINONES

4-Octadecylpyrocatechol was obtained by acylation of pyrocatechol with stearic acid in the presence of boron trifluoride followed by reduction of the keto group.Repeated acylation and reduction of the keto group led to 3,5-dioctadecylpyrocatechol.By simul