CAS No.1486-51-7,4-Benzyloxybenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1486-51-7
Name:	4-Benzyloxybenzoic acid
Article Data:	120

Formula:	C₁₄H₁₂O₃
Molecular Weight:	228.247
Synonyms:	Benzoicacid, p-(benzyloxy)- (6CI,7CI,8CI);4-(Benzyloxy)benzoic acid;4-(Phenylmethoxy)benzoic acid;BRL 14280;NSC 16633;p-(Benzyloxy)benzoic acid;
EINECS:	216-066-0
Density:	1.223 g/cm³
Melting Point:	189-192 °C(lit.)
Boiling Point:	396.277 °C at 760 mmHg
Flash Point:	152.309 °C
Hazard Symbols:	Xi, Xn
Risk Codes:	22-36
Safety:	26
PSA:	46.53000
LogP:	2.96380

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Specification

The Benzoic acid,4-(phenylmethoxy)- is an organic compound with the formula C₁₄H₁₂O₃. The systematic name of this chemical is 4-(Benzyloxy)benzoic acid. With the CAS registry number 1486-51-7, it is also named as 4-(Phenylmethoxy)benzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts; Benzoic Acids (Building Blocks for Liquid Crystals); Bifunctional Compounds (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; C13 to C42⁺; Carbonyl Compounds; Carboxylic Acids. Besides, it should be stored in a cool, sealed, dry, well-ventilated, lightproof place.

Physical properties about Benzoic acid,4-(phenylmethoxy)- are: (1)ACD/LogP: 3.62; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 27.99; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 187.52; (7)ACD/KOC (pH 7.4): 4.12; (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: 25.5×10^-24 cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.222 g/cm³; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 68.19 kJ/mol; (20)Boiling Point: 396.3 °C at 760 mmHg; (21)Vapour Pressure: 5.44E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Benzyloxy-benzoic acid benzyl ester. This reaction will need reagent 10 percent KOH and solvent methanol. The yield is about 94%.

Uses of Benzoic acid,4-(phenylmethoxy)-: it can be used to produce 4-Benzyloxy-benzyl alcohol. It will need reagent BH₃ and solvent tetrahydrofuran with reaction time of 16 hours. The yield is about 96.4%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to the eyes. 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)InChI: InChI=1/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
(2)InChIKey: AQSCHALQLXXKKC-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
(4)Std. InChIKey: AQSCHALQLXXKKC-UHFFFAOYSA-N