3129-92-8

Basic information

• Product Name: CYCLOHEXYLAMINE BENZOATE
• Synonyms: benzoicacid,compd.withcyclohexanamine(1:1);benzoicacid,compd.withcyclohexylamine(1:1);cyclohexylammoniumbenzoate;Cyclohexyl-ammoniumbenzoate;n-cyclohexylammoniumbenzoate;benzoic acid, compound with cyclohexylamine (1:1);CYCLOHEXYLAMINE BENZOATE;Cyclohexanamine benzoate
• CAS NO: 3129-92-8
• Molecular Formula: C₆H₁₃N*C₇H₆O₂
• Molecular Weight: 215.25
• EINECS: 221-516-4
• Mol File: 3129-92-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 177 °C
• Boiling Point: 249.3 °C at 760 mmHg
• Flash Point: 111.4 °C
• Appearance: /
• Density: 0.577[at 20℃]
• Vapor Pressure: 0.0122mmHg at 25°C
• Storage Temp.: 2-8°C
• Water Solubility: 105g/L at 20℃
• CAS DataBase Reference: CYCLOHEXYLAMINE BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: CYCLOHEXYLAMINE BENZOATE(3129-92-8)
• EPA Substance Registry System: CYCLOHEXYLAMINE BENZOATE(3129-92-8)

Safety Data

• Hazardous Substances Data: 3129-92-8(Hazardous Substances Data)

Usage

Flammability and Explosibility

Flammable

InChI:InChI=1/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2

Upstream product

• 108-91-8 cyclohexylamine 
• 65-85-0 benzoic acid 

Relevant articles and documents

Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH 2n+1NH2, n = 5, 6, 7, 8 and 12

The hydrogen bonded columns of salts of benzoic acid or adamantanecarboxylic acid and five cyclic amines are reported. During solution crystallization, the H from the carboxylic acid transfers to the amine to form ammonium carboxylate salts which feature three charge-separated N +-H...O- hydrogen bonds to form two types of 1-D hydrogen bonded columns. Of the ten structures, viz. (cyclopentylammonium·benzoate) (1), (cyclohexylammonium·benzoate) (2), (cyclododecylammonium·benzoate) (5), (cyclopentylammonium· adamantanecarboxylate) (6), (cyclohexylammonium·adamantanecarboxylate) (7) and (cyclododecylammonium·adamantanecarboxylate) (10) form a type II hydrogen bonded column which consists of repeating R34(10) hydrogen bonded rings whereas (cycloheptylammonium·benzoate) (3), (cyclooctylammonium· benzoate) (4), (cycloheptylammonium·adamantanecarboxylate) (8), and (cyclooctylammonium·adamantanecarboxylate) (9) form a type III hydrogen bonded column, which consists of alternating R24(8)/R44(12) hydrogen bonded rings. Even with two sterically different anions, the type of hydrogen bonded column formed is the same for each counter cation and hence it is the size of the cyclic ammonium rings that influences the type of hydrogen bonded column. From this we can gather clues about the effect of the steric size of the cation and anion and its effect on the overall packing.