CAS No.69026-14-8,3-BENZYLOXYBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	69026-14-8
Name:	3-BENZYLOXYBENZOIC ACID
Article Data:	38

Formula:	C₁₄H₁₂O₃
Molecular Weight:	228.247
Synonyms:	3-(benzyloxy)benzoic acid;3-(benzyloxy)benzoic acid (IM OCS);3-phenylmethoxybenzoate;
Density:	1.222 g/cm³
Melting Point:	133-137 °C
Boiling Point:	408.8 °C at 760 mmHg
Flash Point:	157.9 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xi,N
Risk Codes:	36/37/38-50/53
Safety:	26-60-61
Transport Information:	UN 3077 9/PG 3
PSA:	46.53000
LogP:	2.96380

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Specification

The CAS register number of 3-Phenylmethoxybenzoic acid is 69026-14-8. It also can be called as 3-phenylmethoxybenzoate and the systematic name about this chemical is 3-(benzyloxy)benzoic acid. The molecular formula about this chemical is C₁₄H₁₂O₃ and the molecular weight is 228.2433. It belongs to the following product categories which include C₁₃ to C₄₂₊; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about 3-Phenylmethoxybenzoic acid are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 0.74; (4)ACD/BCF (pH 5.5): 12.84; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 83.51; (7)ACD/KOC (pH 7.4): 2.75; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 64.34 cm³; (14)Molar Volume: 186.6 cm³; (15)Polarizability: 25.5x10^-24cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.222 g/cm³; (18)Flash Point: 157.9 °C; (19)Enthalpy of Vaporization: 69.69 kJ/mol; (20)Boiling Point: 408.8 °C at 760 mmHg; (21)Vapour Pressure: 2.04E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. If you want to use this chemical, refer to special instructions / safety data sheets. when you are using it, avoid release to the environment. In case of 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)c2cc(OCc1ccccc1)ccc2
(2)InChI: InChI=1/C14H12O3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
(3)InChIKey: CISXCTKEQYOZAM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H12O3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
(5)Std. InChIKey: CISXCTKEQYOZAM-UHFFFAOYSA-N