7367-78-4

Basic information

• Product Name: BUTYL SORBATE
• Synonyms: BUTYL SORBATE;HEXA-2,4-DIENOIC ACID BUTYL ESTER;TIMTEC-BB SBB007991;N-BUTYL SORBATE;2,4-Hexadienoic acid, butyl ester,;Butyl (2E,4E)-2,4-hexadienoate;butyl (E,E)-hexa-2,4-dienoate;2,4-Hexadienoic acid, butyl ester, (2E,4E)-
• CAS NO: 7367-78-4
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23
• EINECS: 230-911-0
• Mol File: 7367-78-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 120-140℃
• Boiling Point: 226.5 °C at 760 mmHg
• Flash Point: 97.5 °C
• Appearance: /
• Density: 0.9216 g/cm3 (20 ºC)
• Vapor Pressure: 0.0815mmHg at 25°C
• Refractive Index: 1.4875 (589.3 nm 20℃)
• CAS DataBase Reference: BUTYL SORBATE(CAS DataBase Reference)
• NIST Chemistry Reference: BUTYL SORBATE(7367-78-4)
• EPA Substance Registry System: BUTYL SORBATE(7367-78-4)

Safety Data

• Hazardous Substances Data: 7367-78-4(Hazardous Substances Data)

Usage

General Description

Butyl sorbate, also known as butyl 2,4-hexadienoate, is a chemical compound commonly used as a preservative in various products, including food, beverages, and personal care items. It is a member of the sorbate family, which are esters of sorbic acid. Butyl sorbate is known for its antimicrobial properties, which help to inhibit the growth of bacteria, yeast, and mold, thereby extending the shelf life of the products in which it is used. It is considered safe for consumption in small quantities and is approved for use in food and beverages by regulatory agencies such as the Food and Drug Administration (FDA) and the European Food Safety Authority (EFSA). However, like other preservatives, excessive consumption of products containing butyl sorbate may have potential health risks, so it should be used in moderation.

InChI:InChI=1/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+

Upstream product

• 463-51-4 Ketene 
• 123-73-9 trans-Crotonaldehyde 
• 109-65-9 1-bromo-butane 
• 24634-61-5 potassium sorbate 
• 141-32-2 acrylic acid n-butyl ester 
• 107-18-6 allyl alcohol 
• 110-44-1 sorbic Acid 
• 71-36-3 butan-1-ol 
• 6728-21-8 allyl mesylate 
• 4873-09-0 allyl tosylate 
• 7757-81-5 sorbic acid sodium salt 

Downstream Products

• 17102-64-6 Sorbyl alcohol 

Relevant articles and documents

Palladium-catalyzed allylic alkenylation of allylic alcohols with n-butyl acrylate

Various allylic alcohols reacted with n-butyl acrylate in the presence of p-toluenesulfonic anhydride and palladium catalysts to yield the corresponding n-butyl 2,5-dienoates with high regioselectivity.

Quantitative structure-activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives

A new series of 2,4-hexadienoic acid derivatives (S1-S42) has been synthesized and evaluated as antimicrobial agents against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Candida albicans, and Aspergillus niger. Quantitative structure-activity relationship (QSAR) investigation using Hansch analysis was applied to find out correlation between antimicrobial activities with physicochemical properties of the synthesized compounds. Various physicochemical descriptors and experimentally determined minimum inhibitory concentration values for different microorganisms were used as independent and dependent variables, respectively. The QSAR revealed that topological parameters especially molecular connectivity indices (χ2, 0χv, 2χv) were found to have overall significant correlation with antimicrobial activity of 2,4-hexadienoic acid derivatives. The statistical results of training set, cross-validated r2 and conventional r values gave reliability to the prediction of molecules with activity using QSAR models.

An improved esterification of carboxylic acids using phase transfer conditions without solvents

Esterification of sodium salt of carboxilic acids were performed with alkyl bromide in phase-transfer conditions without solvent.