60948-91-6

Basic information

• Product Name: 2-HEXYLOCTANOIC ACID
• Synonyms: 2-hexyl-octanoicaci;2-HEXYLOCTANOIC ACID;Hexyloctanoic acid;2-BUTYL DECANOIC ACID;Ai3-11063;Einecs 262-534-2;Octanoic acid, 2-hexyl-
• CAS NO: 60948-91-6
• Molecular Formula: C₁₄H₂₈O₂
• Molecular Weight: 228.37
• EINECS: 262-534-2
• Mol File: 60948-91-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 339.6°C at 760 mmHg
• Flash Point: 187.2°C
• Appearance: /
• Density: 0.896g/cm³
• Vapor Pressure: 1.68E-05mmHg at 25°C
• Refractive Index: 1.4421 (589.3 nm 20℃)
• CAS DataBase Reference: 2-HEXYLOCTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-HEXYLOCTANOIC ACID(60948-91-6)
• EPA Substance Registry System: 2-HEXYLOCTANOIC ACID(60948-91-6)

Safety Data

• Hazardous Substances Data: 60948-91-6(Hazardous Substances Data)

Usage

General Description

2-Hexyloctanoic acid is a chemical compound with the formula C16H30O2. It is a fatty acid that belongs to the class of carboxylic acids and is derived from natural sources such as palm oil and coconut oil. It is commonly used in the production of cosmetics, perfumes, and as a flavoring agent in the food industry. 2-HEXYLOCTANOIC ACID is known for its ability to act as a skin-conditioning agent and is often used in skincare products for its moisturizing properties. Additionally, 2-hexyloctanoic acid has been studied for its potential applications in the pharmaceutical industry, particularly in the development of prodrugs and drug delivery systems due to its amphiphilic nature.

InChI:InChI=1/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)

Upstream product

• 54662-34-9 diethyl 2,2-dihexylmalonate 
• 638-45-9 1-Iodohexane 
• 105-53-3 diethyl malonate 
• 596-75-8 diethyl dibutylmalonate 
• 2283-16-1 di-n-butylmalonic acid 
• 872520-47-3 dimethyl dihexylmalonate 
• 111-25-1 1-bromo-hexane 
• 5398-10-7 diethyl 2-hexylmalonate 
• 110166-54-6 7-formyltridecane 
• 4381-78-6 2,2-dihexylmalonic acid 

Downstream Products

• 19780-79-1 2-hexyl-1-octanol 
• 94760-81-3 2-hexyl-1-phenyl-1-octanone 
• 94762-99-9 7-Tridecylphenyl-carbinol 
• 95706-47-1 2-Hexyl-1-phenyl-octan 

Relevant articles and documents

Method for preparing Guerbet acids by taking malonate as raw material

The invention discloses a method for preparing Guerbet acids by taking malonate as a raw material. The method comprises the following steps: using the malonate as the raw material, and carrying out alkylation reaction under the action of alkali to obtain dialkyl malonate; sequentially carrying out hydrolysis reaction and decarboxylic reaction on obtained dialkyl malonate to obtain the Guerbet acid, wherein the malonate is dimethyl malonate or diethyl malonate; the alkali of the alkylation reaction is selected from one or more of potassium carbonate, sodium hydroxide, potassium hydroxide, sodium methylate and sodium ethoxide; an alkylating reagent is haloalkane with 2 to 20 carbons. According to the method disclosed by the invention, the Guerbet acids are prepared by taking the malonate as the raw material for the first time; related three reactions are easily operated, high temperature or high pressure is not needed, and high yield is realized; by means of the alkylation reaction disclosed by the invention, a main chain structure and a branched chain structure of the Guerbet acids can be flexibly regulated and controlled, and further the Guerbet acids with different properties are obtained.

Use of ethyl (benzothiazol-2-ylsulfonyl)acetate for malonic ester-type syntheses of carboxylic acids and esters

A new methodology for the synthesis of substituted carboxylic acids is described. Alkylation of either ethyl (benzothiazol-2-ylsulfonyl)acetate or ethyl 2-(benzothiazol-2-ylsulfonyl)propionate was achieved with alkyl halides and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in dichloromethane solution. These products were then desulfinated and hydrolysed in one-pot under mild conditions to give substituted acetic acids in good-to-excellent yields.