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| CAS No.: | 707-07-3 |
|---|---|
| Name: | Trimethyl orthobenzoate |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C10H14O3 |
| Molecular Weight: | 182.219 |
| Synonyms: | Orthobenzoicacid, trimethyl ester (6CI,7CI,8CI);(Trimethoxymethyl)benzene;Methylorthobenzoate;NSC 67391;Trimethoxyphenylmethane;Trimethyl orthobenzoate;a,a,a-Trimethoxytoluene; |
| EINECS: | 211-897-5 |
| Density: | 1.04 g/cm3 |
| Boiling Point: | 223.9 °C at 760 mmHg |
| Flash Point: | 82.2 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 27.69000 |
| LogP: | 1.73610 |
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Specification
The Trimethyl orthobenzoate with the CAS number 707-07-3 is also called Benzene,(trimethoxymethyl)-. Its molecular formula is C10H14O3. The EINECS registry number is 211-897-5. This chemical belongs to the following product categories: (1)Acetals/Ketals/Ortho Esters; (2)Organic Building Blocks; (3)Oxygen Compounds. It is clear colorless liquid.
The properties of the Trimethyl orthobenzoate are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 383.66; (6)ACD/BCF (pH 7.4): 383.66; (7)ACD/KOC (pH 5.5): 2461.47; (8)ACD/KOC (pH 7.4): 2461.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 49.87 cm3; (15)Molar Volume: 175.2 cm3; (16)Polarizability: 19.77×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Enthalpy of Vaporization: 44.17 kJ/mol; (19)Vapour Pressure: 0.14 mmHg at 25°C.
Uses: This chemical can react with indole to prepare indol-3-yl-phenyl-methanone. This reaction needs reagent BF3-etherate and solvent CH2Cl2 at Ambient temperature. The reaction time is 10 min. The yield is 89.6%.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)(OC)c1ccccc1
(2)InChI: InChI=1/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
(3)InChIKey: IECKAVQTURBPON-UHFFFAOYAR