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CAS No.: 14389-86-7
Name: 2-BENZYLOXYBENZOIC ACID
Article Data: 43
Molecular Structure:
Molecular Structure of 14389-86-7 (2-BENZYLOXYBENZOIC ACID)
Formula: C14H12O3
Molecular Weight: 228.247
Synonyms: Benzoicacid, o-(benzyloxy)- (6CI,8CI);2-(Benzyloxy)benzoic acid;2-(Phenylmethoxy)benzoic acid;2-[(Phenylmethyl)oxy]benzoic acid;O-Benzylsalicylic acid;Salicylic acid benzyl ether;o-(Benzyloxy)benzoic acid;
Density: 1.222g/cm3
Melting Point: 76-78°C
Boiling Point: 397.6 °C at 760 mmHg
Flash Point: 152.9 °C
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 22-36/37/38-50/53
Safety: 22-24/25-61-60-36/37-26
Transport Information: UN 3077
PSA: 46.53000
LogP: 2.96380
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  • 2-Benzyloxybenzoic acid

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  • 2-(Benzyloxy)benzoic acid

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    2-(Benzyloxy)benzoic acid

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Specification

This chemical is called Benzoic acid, 2-(phenylmethoxy)-, and its CAS registry number is 14389-86-7. With the molecular formula of C14H12O3, its molecular weight is 228.24. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Other characteristics of the Benzoic acid, 2-(phenylmethoxy)- can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.54; (8)ACD/KOC (pH 7.4): 1.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 64.34 cm3; (15)Molar Volume: 186.6 cm3; (16)Polarizability: 25.5×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 152.9 °C; (20)Enthalpy of Vaporization: 68.34 kJ/mol; (21)Boiling Point: 397.6 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-07 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 2-(phenylmethoxy)- could be obtained by the reactant of 2-benzyloxy-benzoic acid ethyl ester. This reaction needs the reagent of alcoholic alkaline solution.

Uses of this chemical: The Benzoic acid, 2-(phenylmethoxy)- could react with thiazolidine-2-thione, and obtain the (2-benzyloxy-phenyl)-(2-thioxo-thiazolidin-3-yl)-methanone. This reaction needs the reagent of dicyclohexylcarbodi-imide, 4-dimethylaminopyridine, and the solvent of CH2Cl2. The yield is 98 %. In addition, this reaction should be taken at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective to avoid contacting with skin and eyes. It's very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. In case of contacting 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)c2ccccc2OCc1ccccc1
2.InChI: InChI=1/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
3.InChIKey: GMOYUTKNPLBTMT-UHFFFAOYAG