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CAS No.: | 79124-75-7 |
---|---|
Name: | 3-(4-methylphenoxy)benzaldehyde |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C14H12O2 |
Molecular Weight: | 212.248 |
Synonyms: | 3-(p-Methylphenoxy)benzaldehyde; |
EINECS: | 279-068-0 |
Density: | 1.129 g/cm3 |
Boiling Point: | 319.7 °C at 760 mmHg |
Flash Point: | 158.6 °C |
PSA: | 26.30000 |
LogP: | 3.59980 |
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The 3-(4-Methylphenoxy)benzaldehyde is an organic compound with the formula C14H12O2. The IUPAC name of this chemical is 3-(4-methylphenoxy)benzaldehyde. With the CAS registry number 79124-75-7, it is also named as benzaldehyde, 3-(4-methylphenoxy)-.
Physical properties about 3-(4-Methylphenoxy)benzaldehyde are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 489.48; (5)ACD/BCF (pH 7.4): 489.48; (6)ACD/KOC (pH 5.5): 2930.31; (7)ACD/KOC (pH 7.4): 2930.31; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 64.27 cm3; (13)Molar Volume: 187.9 cm3; (14)Polarizability: 25.48×10-24cm3; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.129 g/cm3; (17)Flash Point: 158.6 °C; (18)Enthalpy of Vaporization: 56.14 kJ/mol; (19)Boiling Point: 319.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000332 mmHg at 25°C.
Uses of 3-(4-Methylphenoxy)benzaldehyde: it can be used to produce 3-(3-p-tolyloxy-phenyl)-acrylic acid and 3-amino-3-(3-p-tolyloxy-phenyl)-propionic acid by heating. It will need reagent ammonium acetate and solvent ethanol with reaction time of 6 hours. The yield is about 56%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(Oc1ccc(cc1)C)ccc2
(2)InChI: InChI=1/C14H12O2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15/h2-10H,1H3
(3)InChIKey: ASKLCRGXIJGVOY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H12O2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15/h2-10H,1H3
(5)Std. InChIKey: ASKLCRGXIJGVOY-UHFFFAOYSA-N