4337-66-0

Basic information

• Product Name: benzoic acid, compound with 2-aminoethanol (1:1)
• Synonyms: benzoic acid, compound with 2-aminoethanol (1:1);Ethanol, 2-amino-, benzoate (salt);benzoate of monoethanolamine;2-Aminoethanol benzoate;MonoethaneaMine benzoate;2-Aminoethanol benzoate (salt)
• CAS NO: 4337-66-0
• Molecular Formula: C₂H₇NO*C₇H₆O₂
• Molecular Weight: 183.20442
• EINECS: 224-387-2
• Mol File: 4337-66-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 142-144℃ (ethanol )
• Boiling Point: 249.3 °C at 760 mmHg
• Flash Point: 111.4 °C
• Appearance: /
• Vapor Pressure: 0.0122mmHg at 25°C
• CAS DataBase Reference: benzoic acid, compound with 2-aminoethanol (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: benzoic acid, compound with 2-aminoethanol (1:1)(4337-66-0)
• EPA Substance Registry System: benzoic acid, compound with 2-aminoethanol (1:1)(4337-66-0)

Safety Data

• Hazardous Substances Data: 4337-66-0(Hazardous Substances Data)

Usage

General Description

Benzoic acid, compound with 2-aminoethanol (1:1) is a chemical compound formed by the combination of benzoic acid and 2-aminoethanol in a 1:1 ratio. Benzoic acid is a white crystalline solid that is commonly used as a food preservative and for its antifungal properties, while 2-aminoethanol is a colorless, flammable liquid used in the production of solvents and pharmaceuticals. When combined, these two chemicals form a stable compound with potential uses in the pharmaceutical and food industries, as well as in various chemical processes. The compound may also have various physiological and toxicological properties that warrant further investigation.

InChI:InChI=1/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2

Upstream product

• 141-43-5 ethanolamine 
• 65-85-0 benzoic acid 

Downstream Products

• 7127-19-7 2-phenyl-1,3-oxazoline 
• 18838-10-3 N-(2-hydroxyethyl)-benzamide 
• 13488-79-4 5-phenyl-1-aza-4,6-dioxabicyclo[3.3.0]octane 
• 13488-78-3 2-methyl-7a-phenyl-tetrahydro-oxazolo[2,3-b]oxazole 
• 13670-23-0 N-(2-(phenylamino)ethyl)benzamide 
• 15248-79-0 N-Chlor-N-<2-chlor-aethyl>-benzamid 
• 13670-30-9 2-phenyl-4,5-dihydro-oxazole; compound with Br₂ (1:1) 
• 13488-77-2 2-phenoxymethyl-7a-phenyl-tetrahydro-oxazolo[2,3-b]oxazole 

Relevant articles and documents

Synthesis of novel non-toxic naphthenic and benzoic acid ionic liquids. Structure-properties relationship and evaluation of their biodegradability potential

Protic Ionic Liquids (PILs) are promising solvents with desirable physicochemical properties for a variety of applications. They are considered as greener alternatives to common organic solvents but in order to efficiently be characterized as green their environmental impact has to be assessed. In the present study, the design, synthesis and an initial potential hazard assessment of 11 naphthenic and benzoic acid based PILs is presented. PILs’ “greenness” is enhanced considering that they are non-toxic according to the aquatic toxicity evaluation and most of them show satisfactorily to extremely high biodegradability level. Moreover, two of their most important physicochemical properties, viscosity and glass transition temperature (Tg), were determined for selected ILs. The effect of the aromatic and alicyclic ring on the anions, the size and the presence of a hydroxyl substituent at anions and cations has been also discussed for the studied environmental and physicochemical properties.

Supramolecular assembly and Ab initio quantum chemical calculations of 2-hydroxyethylammonium salts of para-substituted benzoic acids

Crystal structures of seven salts of 2-hydroxyethylamine with benzoic acid (1) and different substituted benzoic acids, such as p-methylbenzoic acid (2), p-methoxybenzoic acid (3), p-hydroxybenzoic acid (4), p-chlorobenzoic acid (5), p-bromobenzoic (6), and p-iodobenzoic (7) have been studied. The salts units of 1-7 serve as building blocks (BB) of the supramolecular architecture. In a crystal they are held together via proton-transferred N-H...O and normal O-H...O hydrogen bonds. The substituents on anions influence dipole-dipole interactions between anions and cations in molecular aggregates. As a result, they are organized in building blocks either via one charge-assisted (1, 2) hydrogen bond or via two (3-7) hydrogen bonds. The dispersion interaction significantly contributes to intermolecular force fields driving the organization of hydrogen bonds in BB. In all studied compounds, building blocks are consolidated into 2-D layers through the N-H...O and O-H...O hydrogen bonds. For the crystal structures of 2-7, with non-centrosymmetric space groups and the BB self-assembled by two hydrogen bonds, the macroscopic polarizations of a unit cell is practically perpendicular to the layers.