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| CAS No.: | 68641-16-7 |
|---|---|
| Name: | 4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER |
| Molecular Structure: | |
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| Formula: | C16H16O3 |
| Molecular Weight: | 256.301 |
| Synonyms: | 2-(4-Benzyloxyphenyl)aceticacid methyl ester;Methyl 2-[4-(benzyloxy)phenyl]acetate;Methyl4-(benzyloxy)phenylacetate;Methyl 4-benzyloxyphenylacetic acid;p-(Benzyloxy)phenylacetic acid methyl ester; |
| Density: | 1.129 g/cm3 |
| Melting Point: | 53 °C |
| Boiling Point: | 375 °C at 760 mmHg |
| Flash Point: | 157.3 °C |
| PSA: | 35.53000 |
| LogP: | 2.98110 |
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Specification
The Benzeneaceticacid, 4-(phenylmethoxy)-, methyl ester, with the CAS registry number 68641-16-7, is also known as p-(Benzyloxy)phenylacetic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C16H16O3 and formula weight is 256.3. What's more, its systematic name is methyl [4-(benzyloxy)phenyl]acetate.
Physical properties of Benzeneaceticacid, 4-(phenylmethoxy)-, methyl ester are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/BCF (pH 5.5): 287; (5)ACD/KOC (pH 5.5): 1999.69; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 73.37 cm3; (12)Molar Volume: 226.9 cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Density: 1.129 g/cm3; (15)Flash Point: 157.3 °C; (16)Enthalpy of Vaporization: 62.25 kJ/mol; (17)Boiling Point: 375 °C at 760 mmHg; (18)apour Pressure: 8.02E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by (4-benzyloxy-phenyl)-acetic acid, diazomethane at the ambient temperature. This reaction will need solvent diethyl ether. The yield is about 96%.
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Uses of 5-Chloro-2-methylene-1,3,3-trimethylindoline: it can be used to produce p-(benzyloxy)phenethyl alcohol by heating. It will need reagent LiAlH4 and solvent diethyl ether with the reaction time of 4 hours. The yield is about 93%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
(3)InChIKey: OUWFDISHMBDYON-UHFFFAOYSA-N