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

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

Uses

Used in Food and Beverage Industry:
Butyl sorbate is used as a preservative to inhibit the growth of bacteria, yeast, and mold in food and beverages, thereby extending their shelf life. Its antimicrobial properties help maintain the freshness and quality of the products.
Used in Personal Care Industry:
Butyl sorbate is used as a preservative in personal care products such as cosmetics and skincare items. It helps prevent the growth of harmful microorganisms, ensuring the safety and efficacy of these products for consumers.

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 
• 6728-21-8 allyl mesylate 
• 110-44-1 sorbic Acid 
• 71-36-3 butan-1-ol 
• 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.

1,4-cis-Hydrogenation of butyl sorbate in supercritical carbon dioxide

Hydrogenation of butyl sorbate into butyl Z-hex-3-enoate in supercritical carbon dioxide proceeds at high conversion and selectivity of 93–96% under catalysis with chromium hexacarbonyl at 180 °C and on using (methyl benzoate)chromium tricarbonyl as a catalyst at 160 °C.

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.