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| CAS No.: | 2174-16-5 |
|---|---|
| Name: | Triethanolamine Salicylate |
| Molecular Structure: | |
|
|
|
| Formula: | C13H21NO6 |
| Molecular Weight: | 287.313 |
| Synonyms: | salicylic acid, compound with 2,2',2''-nitrilotriethanol (1:1); |
| EINECS: | 218-531-3 |
| Density: | 1.209 g/mL at 25 °C |
| Boiling Point: | 335.4 °C at 760 mmHg |
| Flash Point: | 185 °C |
| Appearance: | pale yellow to amber crystalline solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 121.46000 |
| LogP: | -0.64430 |
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| Conditions | Yield |
|---|---|
| With methanol for 1h; Reflux; | 99% |
| Conditions | Yield |
|---|---|
| In methanol for 1h; Reflux; | 99% |
| In methanol at 60 - 65℃; | 99% |
| In ethanol |
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Specification
The Triethanolamine Salicylate, with the CAS registry number 2174-16-5, is also known as Salicylic acid trolamine. Its EINECS registry number is 218-531-3. This chemical's molecular formula is C13H21NO6 and molecular weight is 287.30894. Its IUPAC name is called 2-[bis(2-hydroxyethyl)amino]ethanol; 2-hydroxybenzoic acid.
Physical properties of Triethanolamine Salicylate: (1)ACD/LogP: -1.11; (2)ACD/LogD (pH 5.5): -3.39; (3)ACD/LogD (pH 7.4): -1.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.57; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Flash Point: 185 °C; (12)Enthalpy of Vaporization: 67.02 kJ/mol; (13)Boiling Point: 335.4 °C at 760 mmHg; (14)Vapour Pressure: 8.38E-06 mmHg at 25°C.
Preparation of Triethanolamine Salicylate: this chemical can be prepared by Salicylic acid and triethanolamine used saponification method.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)O.C(CO)N(CCO)CCO
(2)InChI: InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2
(3)InChIKey: UEVAMYPIMMOEFW-UHFFFAOYSA-N