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| CAS No.: | 57726-26-8 |
|---|---|
| Name: | alpha-ethoxy-p-cresol |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | p-Hydroxybenzyl ethylether;a-Ethoxy-p-cresol;Ethyl 4-hydroxybenzyl ether;4-(Ethoxymethyl)phenol;p-Cresol, a-ethoxy- (7CI); |
| EINECS: | 260-918-4 |
| Density: | 1.06 g/cm3 |
| Boiling Point: | 240.5 °C at 760 mmHg |
| Flash Point: | 98.2 °C |
| PSA: | 29.46000 |
| LogP: | 1.92870 |
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Specification
The Phenol,4-(ethoxymethyl)-, with the CAS registry number 57726-26-8, is also known as Ethyl 4-hydroxybenzyl ether. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19. What's more, its systematic name is 4-(Ethoxymethyl)phenol and its EINECS number is 260-918-4.
Physical properties of Phenol,4-(ethoxymethyl)- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.64; (6)ACD/BCF (pH 7.4): 12.58; (7)ACD/KOC (pH 5.5): 213.9; (8)ACD/KOC (pH 7.4): 212.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 44.06 cm3; (15)Molar Volume: 143.5 cm3; (16)Polarizability: 17.46×10-24 cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 98.2 °C; (20)Enthalpy of Vaporization: 49.68 kJ/mol; (21)Boiling Point: 240.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0244 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,1,1-triethoxy-ethane and 4-hydroxy-benzyl alcohol by heating. This reaction will need reagent para-toluenesulfonic acid with the reaction time of 16 hours. The yield is about 37%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O(Cc1ccc(O)cc1)CC
(2)InChI: InChI=1/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
(3)InChIKey: UWQZVUQKBWZNLN-UHFFFAOYSA-N