55680-38-1

Basic information

• Product Name: 2,2-bis(hydroxymethyl)butyl octanoate
• Synonyms: 2,2-bis(hydroxymethyl)butyl octanoate;Octanoic acid 2,2-bis(hydroxymethyl)butyl ester;Trimethylolpropane octanoate
• CAS NO: 55680-38-1
• Molecular Formula: C₁₄H₂₈O₄
• Molecular Weight: 260.36972
• EINECS: 259-752-5
• Mol File: 55680-38-1.mol

Chemical Properties

• Boiling Point: 341.2°Cat760mmHg
• Flash Point: 113.2°C
• Appearance: /
• Density: 1.008g/cm³
• Vapor Pressure: 5.38E-06mmHg at 25°C
• Refractive Index: 1.467
• CAS DataBase Reference: 2,2-bis(hydroxymethyl)butyl octanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-bis(hydroxymethyl)butyl octanoate(55680-38-1)
• EPA Substance Registry System: 2,2-bis(hydroxymethyl)butyl octanoate(55680-38-1)

Safety Data

• Hazardous Substances Data: 55680-38-1(Hazardous Substances Data)

Usage

Uses

Used in Perfumery and Cosmetics Industry:
2,2-bis(hydroxymethyl)butyl octanoate is used as a fragrance ingredient for its ability to impart a mild, fruity scent to perfumes and cosmetics. Its pleasant aroma enhances the overall sensory experience of these products, making them more appealing to consumers.
Used in Food Industry:
In the food industry, 2,2-bis(hydroxymethyl)butyl octanoate is used as a flavoring agent to add a subtle fruity taste to various food products. Its mild flavor profile complements a range of dishes and beverages, contributing to a more enjoyable culinary experience.
Used in Consumer Products:
2,2-bis(hydroxymethyl)butyl octanoate is used as a scent and taste enhancer in a variety of consumer products, including household cleaning agents and personal care items. Its versatile application allows it to improve the overall user experience by adding a pleasant aroma and taste where appropriate.

InChI:InChI=1/C14H28O4/c1-3-5-6-7-8-9-13(17)18-12-14(4-2,10-15)11-16/h15-16H,3-12H2,1-2H3

Upstream product

• 77-99-6 1,1,1-tri(hydroxymethyl)propane 
• 124-07-2 Octanoic acid 

Relevant articles and documents

PROCESS FOR PREPARING BIODEGRADABLE LUBRICANT BASE OILS

The invention discloses an improved process for preparing fatty acid esters with 100 mol % selectivity suitable as biodegradable lubricant base oils, comprising contacting a fatty compound with an alcohol in presence of a solid, phosphonate catalyst having molecular formula: M(X)2-nYn.mH2O where X refers to phenyl phosphonate, Y refers to HPO42? or HPO32?, M refers to a metal or metalloid ion preferably taken from the group consisting of Zr, Zn, Cd, Al, Sn, La and Ce, the value of n varies from 0.2 to 1.8 and the value of m varies from 0 to 5, wherein the fatty compound is a fatty acid or fatty acid methyl or ethyl ester or vegetable oil or animal fat or their mixture thereof and alcohol is a monohydric alcohol with 6 to 22 carbon atoms or a polyol with at least two hydroxyl groups.

Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters

The application of zirconium phenyl phosphonate phosphite (ZrPP) as a solid acid catalyst for producing polyol esters by esterification of glycerol or trimethylolpropane with a fatty acid (C8-C18.1) is reported for the first time. ZrPP exhibits high catalytic activity and in particular, (di + tri) esters selectivity (92.3 mol%). These esters of polyols are known for their application as biolubricants. The catalyst prepared using phosphorous acid to phenyl phosphonic acid molar ratio of 3:1 was found superior. The influence of process parameters on activity and selectivity of the catalyst was investigated. ZrPP was reusable in at least three recycling experiments. Hydrophobicity due to exposed phenyl groups on the surface is the possible cause for superior esterification activity of this novel, solid catalyst.

Synthesis of trimethylolpropane esters with immobilized lipase from Candida sp. 99-125

The lubricants of the future have to be more environmentally adapted, have a higher level of performance. Synthesis esters (SEs) which can be used as raw materials for biodegradable lubricant base oils are increasing in popularity due to superior technical properties. Direct esterification of trimethylolpropane (TMP) with fatty acid in a solvent free system, by immobilized lipase from Candida sp. 99-125 was studied. Investigations of important factors were carried out involving temperature, time, enzyme amount, substrates molar ratio and water content. For 2 g caprylic acid, under the optimal conditions, with 0.4 g immobilized lipase, at substrates molar ratio 1:10 (TMP to acid), temperature 40 °C and water content controlled under 0.8% (w/w), the total conversion of fatty acid with TMP reached up to 96% and the formation of trisubstituted TMP esters reached 93%. Water content controlled during esterification process was found to be critical for high yield of direct esterification.

SULFUR-CONTAINING SILANE, FILLED ELASTOMERIC COMPOSITIONS CONTAINING SAME AND ARTICLES MADE THEREFROM

Sulfur-containing silane, and/or the partially to substantially complete hydrolyzate(s) of sulfur-containing silane, of general Formula (1): [Y1SG1SiZθ]m[Y2SG2SiZθZβ]n[Y3SG3SiZβ3]o[Y4SG4SiZβ2X]p[Y5SG5SiZβX2]q[X]r (1) are provided wherein the variables have the values as indicated in the claims.

Synthesis and GC-MS study of fluorinated esters derived from thrimethylolpropane

Zol-gel process was used to synthesize equilibrium mixtures of mono-, di-, and trimester derived from trimethylolpropane and perfluorocarboxylic acids. The elution order of the components of the mixtures from a weakly polar HP-5 column was established. The mass spectra of the synthesized compounds were studied. The GC-MS parameters of the products were compared with the respective parameters of their nonfluorinated analogs. The characteristics of the fluorinated esters have features determined by the esterification degree and the nature of the perfluoroalkyl groups, due to which these compounds can be identified in mixtures.