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CAS No.: | 32122-11-5 | ||
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Name: | METHYL 4-BENZYLOXYBENZOATE | ||
Article Data: | 61 | ||
Molecular Structure: | |||
Formula: | C15H14O3 | ||
Molecular Weight: | 242.274 | ||
Synonyms: | Benzoicacid, p-(benzyloxy)-, methyl ester (6CI,7CI,8CI);4-Benzyloxybenzoic acidmethyl ester;Methyl 4-(benzyloxy)benzoate;Methyl p-(benzyloxy)benzoate;NSC173137; | ||
Density: | 1.142g/cm3 | ||
Melting Point: | 99°C | ||
Boiling Point: | 372.5°Cat760mmHg | ||
Flash Point: | 156.2°C | ||
Safety: |
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PSA: | 35.53000 | ||
LogP: | 3.05220 |
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The Methyl 4-benzyloxybenzoate with cas registry number of 32122-11-5, belongs to the following product categorie: Aromatic Esters. It has the systematic name of methyl 4-(benzyloxy)benzoate. And it is also named Benzoic acid, 4-(phenylmethoxy)-, methyl ester. When use it, do not breathe dust and avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 69.19 cm3; (9)Molar Volume: 212 cm3; (10)Polarizability: 27.42×10-24cm3; (11)Surface Tension: 42.3 dyne/cm; (12)Enthalpy of Vaporization: 61.97 kJ/mol; (13)Vapour Pressure: 9.56E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccc(OCc1ccccc1)cc2;
(2)InChI: InChI=1/C15H14O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3;
(3)InChIKey: ZLLQTDQOTFCCDF-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C15H14O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3;
(5)Std. InChIKey: ZLLQTDQOTFCCDF-UHFFFAOYSA-N