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| CAS No.: | 588-43-2 |
|---|---|
| Name: | TRIBUTYL ORTHOFORMATE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C13H28O3 |
| Molecular Weight: | 232.364 |
| Synonyms: | Orthoformicacid, tributyl ester (6CI,7CI,8CI);NSC 8488;Tri(n-butoxy)methane;Tri-n-butylorthoformate;Tributoxymethane;Tributyl orthoformate; |
| EINECS: | 209-618-7 |
| Density: | 0.884 g/cm3 |
| Boiling Point: | 262.7 °C at 760mmHg |
| Flash Point: | 96.3 °C |
| Safety: | 24/25-23 |
| PSA: | 27.69000 |
| LogP: | 3.72010 |
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- Total:26 Page 1 of 1 1
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Specification
The IUPAC name of Tributyl orthoformate is 1-(dibutoxymethoxy)butane. With the CAS registry number 588-43-2, it is also named as Butane, 1,1',1''-(methylidynetris(oxy))tris-; Orthoformic acid butyl ester. The poduct's categories are orthoesters, acetals/ketals/ortho esters, organic building blocks and oxygen compounds. People should not breathe the vapour of this chemical and avoid contact with skin and eyes.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6660.89; (6)ACD/BCF (pH 7.4): 6660.89; (7)ACD/KOC (pH 5.5): 18987.85; (8)ACD/KOC (pH 7.4): 18987.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.427; (13)Molar Refractivity: 67.47 cm3; (14)Molar Volume: 262.5 cm3; (15)Polarizability: 26.74×10-24 cm3; (16)Surface Tension: 28.3 dyne/cm; (17)Enthalpy of Vaporization: 48.03 kJ/mol; (18)Vapour Pressure: 0.0175 mmHg at 25°C; (19)Rotatable Bond Count: 12; (20)Exact Mass: 232.203845; (21)MonoIsotopic Mass: 232.203845; (22)Topological Polar Surface Area: 27.7; (23)Heavy Atom Count: 16.
Preparation of Tributyl orthoformate: It can be obtained by triethoxymethane and butan-1-ol by unter Entfernen des entstehenden Aethanols.
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Uses of Tributyl orthoformate: It can react with phenol to get dibutoxymethoxy-benzene. This reaction needs reagent HCl gas and TsOH and solvent ethanol at 15 pressure. The yield is 65%.
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People can use the following data to convert to the molecule structure.
1. SMILES: O(CCCC)C(OCCCC)OCCCC;
2. InChI: InChI=1/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3.