Benzeneacetic acid,2-methyl-4-(phenylmethoxy)-, methyl ester supplier

Name
METHYL 2-METHYL-4-BENZYLOXY-PHENYLACETATE
EINECS
CAS No. 223406-97-1
Density 1.111 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₈O₃
Boiling Point 395.3 °C at 760 mmHg
Molecular Weight 270.328
Flash Point 166.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-methyl-4-benzyloxy-phenylacetate;(4-Benzyloxy-2-methyl-phenyl)-acetic acid methyl ester;
PSA 35.53000
LogP 3.28950

Benzeneacetic acid,2-methyl-4-(phenylmethoxy)-, methyl ester Specification

The Benzeneacetic acid, 2-methyl-4-(phenylmethoxy)-, methyl ester, with the CAS registry number of 223406-97-1, is also known as Methyl 2-methyl-4-benzyloxy-phenylacetate. This chemical's molecular formula is C₁₇H₁₈O₃ and molecular weight is 270.32. What's more, its systematic name is Methyl [4-(benzyloxy)-2-methylphenyl]acetate.

Physical properties about Benzeneacetic acid, 2-methyl-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 642.02; (6)ACD/BCF (pH 7.4): 642.02; (7)ACD/KOC (pH 5.5): 3558.31; (8)ACD/KOC (pH 7.4): 3558.31; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 78.2 cm³; (15)Molar Volume: 243.2 cm³; (16)Polarizability: 31×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.111 g/cm³; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 64.54 kJ/mol; (21)Boiling Point: 395.3 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-06 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OC)Cc2c(cc(OCc1ccccc1)cc2)C
(2) InChI: InChI=1/C17H18O3/c1-13-10-16(9-8-15(13)11-17(18)19-2)20-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
(3) InChIKey: LGLSBOAKCKFRKY-UHFFFAOYAY

Product Name

METHYL 2-METHYL-4-BENZYLOXY-PHENYLACETATE

Benzeneacetic acid,2-methyl-4-(phenylmethoxy)-, methyl ester Specification

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