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CAS No.: | 101093-56-5 |
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Name: | 2-METHYL 4-BENZYLOXYBENZALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C15H14O2 |
Molecular Weight: | 226.275 |
Synonyms: | o-Tolualdehyde,4-(benzyloxy)- (6CI);2-Methyl-4-benzyloxybenzaldehyde;4-Benzyloxy-2-methylbenzaldehyde; |
Density: | 1.119 g/cm3 |
Melting Point: | 58.0 to 62.0 °C |
Boiling Point: | 385 °C at 760 mmHg |
Flash Point: | 176.5 °C |
PSA: | 26.30000 |
LogP: | 3.38650 |
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The Benzaldehyde,2-methyl-4-(phenylmethoxy)-, with the CAS registry number 101093-56-5, is also known as Benzaldehyde, 2-methyl-4-(phenylmethoxy)-. It belongs to the product categories of . Its EINECS number is . This chemical's molecular formula is C15H14O2 and molecular weight is 226.2705. Its systematic name is called 4-(benzyloxy)-2-methylbenzaldehyde.
Physical properties of Benzaldehyde,2-methyl-4-(phenylmethoxy)-: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 467.52; (6)ACD/BCF (pH 7.4): 467.52; (7)ACD/KOC (pH 5.5): 2835.62; (8)ACD/KOC (pH 7.4): 2835.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 68.99 cm3; (14)Molar Volume: 202 cm3; (15)Surface Tension: 43.4 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 176.5 °C; (18)Enthalpy of Vaporization: 63.37 kJ/mol; (19)Boiling Point: 385 °C at 760 mmHg; (20)Vapour Pressure: 3.93E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c(cc(OCc1ccccc1)cc2)C
(2)InChI: InChI=1/C15H14O2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3)InChIKey: OGVPJBJWJCZBTH-UHFFFAOYAV