30895-79-5

Basic information

• Product Name: ALLYL SORBATE
• Synonyms: ALLYL SORBATE;ALLYL 2,4-HEXADIENOATE;ALLYL HEXADIENOATE;FEMA 2041;2,4-Hexadienoic acid, 2-propenyl ester;Fema no. 2041
• CAS NO: 30895-79-5
• Molecular Formula: C9H12O2
• Molecular Weight: 152.19
• EINECS: 231-336-8
• Product Categories: Miscellaneous
• Mol File: 30895-79-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 208.7°C at 760 mmHg
• Flash Point: 92.7°C
• Appearance: /
• Density: 0.934g/cm³
• Vapor Pressure: 0.211mmHg at 25°C
• Refractive Index: 1.468
• CAS DataBase Reference: ALLYL SORBATE(CAS DataBase Reference)
• NIST Chemistry Reference: ALLYL SORBATE(30895-79-5)
• EPA Substance Registry System: ALLYL SORBATE(30895-79-5)

Safety Data

• Hazardous Substances Data: 30895-79-5(Hazardous Substances Data)

Usage

Also known as

2-propenyl ethanoate

Function

Flavoring agent and food preservative

Family

Sorbic acid derivatives

Usage

Inhibits mold and yeast growth to extend shelf life of products

Safety

Generally recognized as safe (GRAS) by FDA

Flavor

Fruity, sweet, slightly spicy

Commonly used in

Baked goods, dairy products, beverages, condiments

Other uses

Cosmetic and personal care products as fragrance ingredient

Health considerations

Excessive consumption may have potential adverse effects

Regulation

Use should be in accordance with recommended safety guidelines

InChI:InChI=1/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3

Upstream product

• 24634-61-5 potassium sorbate 
• 106-95-6 allyl bromide 
• 110-44-1 sorbic Acid 
• 107-18-6 allyl alcohol 
• 107-05-1 3-chloroprop-1-ene 
• 143372-03-6 allylic 2-hexynoate 
• 2614-88-2 sorbinyl chloride 
• 7757-81-5 sorbic acid sodium salt 

Relevant articles and documents

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.

Reinvestigation on the Catalytic Isomerisation of Carbon-Carbon Triple Bonds

Based on the discovery that phosphines could catalyse the isomerisation of triple bonds, the isomerisation of acetylenic derivatives was differentiated into two types: phosphine-catalysed and transition metal-catalysed.

Internal Redox Catalyzed by Triphenylphosphine

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