CAS No.68641-16-7,4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68641-16-7
Name:	4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER
Article Data:	36

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%.

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%.

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