2451-86-7

Basic information

• Product Name: 1,3-Propanediol dibenzoate
• Synonyms: 1,3-Propanediol dibenzoate;Benzoflex S-432;TMETB
• CAS NO: 2451-86-7
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.31
• Mol File: 2451-86-7.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 422.9°C at 760 mmHg
• Flash Point: 212.1°C
• Appearance: /
• Density: 1.171g/cm³
• Vapor Pressure: 2.32E-07mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 1,3-Propanediol dibenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol dibenzoate(2451-86-7)
• EPA Substance Registry System: 1,3-Propanediol dibenzoate(2451-86-7)

Safety Data

• Hazardous Substances Data: 2451-86-7(Hazardous Substances Data)

Usage

Type of compound

Ester

Formation

Reaction of 1,3-propanediol with benzoic acid

Physical state

Colorless, odorless liquid

Common use

Plasticizer in plastics (improves flexibility and durability)

Additional uses

Solvent for inks, coatings, and adhesives

Potential applications

Pharmaceutical and cosmetic industries

Properties

Solubility and stability

Importance

Versatile and significant chemical in manufacturing and production of various products

InChI:InChI=1/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

Upstream product

• 98-88-4 benzoyl chloride 
• 504-63-2 trimethyleneglycol 
• 532-32-1 sodium benzoate 
• 109-64-8 1,3-dibromo-propane 
• 532-31-0 silver benzoate 
• 142-28-9 1,3-Dichloropropane 
• 65-85-0 benzoic acid 
• 85909-02-0 N-benzyl-N-(tert-butoxycarbonyl)-benzamide 
• 772-01-0 2-phenyl-1,3-dioxane 
• 93-89-0 benzoic acid ethyl ester 
• 591-50-4 iodobenzene 
• 13939-06-5 molybdenum hexacarbonyl 
• 582-25-2 Potassium benzoate 
• 627-30-5 1-chloro-3-hydroxypropane 

Downstream Products

• 1353548-42-1 β-cyclodextrin O,O'-dibenzoyl-1,3-propylendiol 

Relevant articles and documents

Solvent-free synthesis of symmetric methylene diestersviadirect reaction of aromatic carboxylates with 1,n-dihaloalkanes

An efficient methodology for the synthesis of symmetrical methylene diesters was developed through direct reaction of various aromatic carboxylates with 1,n-dihaloalkanes under solvent-free conditions. This strategy offers a high product yield, facile work-up and purification, and an environmentally friendly approach to obtain long-chain methylene carboxylate scaffolds with increased diversity.

Direct conversion of aromatic 1,3-dioxanes to hydroxypropyl esters with pyridinium hydrobromide perbromide and sodium acetate in water

Various aromatic 1,3-dioxanes were directly converted to respective hydorxypropyl esters with pyridinum hydrobromide perbromide and sodium acetate in water at room temperature.

Facile esterification of carboxylic acid using amide functionalized benzimidazolium dicationic ionic liquids

Herein, we report the synthesis of a new series of amide functionalized dicationic benzimidazolium based ionic liquids (DBimILs) and appraised their efficacy towards perceptive esterification of carboxylic acids with alkyl/allyl/aryl halides in presence of triethylamine. The amide groups present in this new series of DBimILs are expected to form hydrogen bonding with the carboxylic acids and this could facilitate the esterification reactions under mild conditions devoid of any added catalyst or organic solvent. The plausible mechanism for the enhanced catalytic activity in presence of this new series of ILs has been proposed. The corresponding alkyl/allyl/aryl esters isolated from this reaction were of high purity after simple extraction, which wipe out the necessity for further purification. This protocol addresses clean methodology and the efficient recyclability as well as reusability of the catalyst.