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| CAS No.: | 22047-88-7 |
|---|---|
| Name: | 2-BENZYLOXYPHENYLACETIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C15H14O3 |
| Molecular Weight: | 242.274 |
| Synonyms: | Aceticacid, [o-(benzyloxy)phenyl]- (8CI);2-(Benzyloxy)phenylacetic acid;2-Phenylmethoxybenzeneacetic acid;o-(Benzyloxy)phenylacetic acid; |
| EINECS: | -0 |
| Density: | 1.201 g/cm3 |
| Melting Point: | 96-98°C |
| Boiling Point: | 406.9 °C at 760 mmHg |
| Flash Point: | 153.2 °C |
| Appearance: | WHITE TO TAN SOLID, POWDER, CRYSTALS CRYSTALLINE POWDER AND/OR CHUNKS |
| Hazard Symbols: |
 Xn；  Xi；  N
|
| Risk Codes: | 36/37/38-50-41 |
| Safety: | 26-37-61-39 |
| Transport Information: | UN 3077 |
| PSA: | 46.53000 |
| LogP: | 2.89270 |
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- Total:29 Page 1 of 1 1
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Specification
The Benzeneacetic acid,2-(phenylmethoxy)-, with CAS registry number 22047-88-7, belongs to the following product categories: (1)Aromatic Phenylacetic Acids and Derivatives; (2)C13 to C42+; (3)Carbonyl Compounds; (4)Carboxylic Acids. It has the systematic name of [2-(benzyloxy)phenyl]acetic acid. And the chemical formula of this chemical is C15H14O3.
Physical properties of Benzeneacetic acid,2-(phenylmethoxy)-: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 5.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 68.53 cm3; (15)Molar Volume: 201.5 cm3; (16)Polarizability: 27.16×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 153.2 °C; (20)Enthalpy of Vaporization: 69.45 kJ/mol; (21)Boiling Point: 406.9 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by (2-benzyloxy-phenyl)-acetic acid benzyl ester. This reaction will need reagent aq. KOH and solvents methanol, tetrahydrofuran. The rection temperature is 20 ℃. The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
The Benzeneacetic acid,2-(phenylmethoxy)- irritates to eyes, respiratory system and skin. This chemical has risk of serious damage to the eyes. And it is very toxic to aquatic organisms, so avoid release it to the environment. Refer to special instructions / safety data sheets. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2ccccc2OCc1ccccc1
(2)InChI: InChI=1/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
(3)InChIKey: VFYKRBZHJFJOGQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
(5)Std. InChIKey: VFYKRBZHJFJOGQ-UHFFFAOYSA-N