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5533-03-9

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Basic Information
CAS No.: 5533-03-9
Name: 2-methoxy-4-(methoxymethyl)-pheno
Article Data: 24
Molecular Structure:
Molecular Structure of 5533-03-9 (2-methoxy-4-(methoxymethyl)-pheno)
Formula: C9H12O3
Molecular Weight: 168.192
Synonyms: Creosol, a-methoxy- (6CI);p-Cresol, a,2-dimethoxy- (7CI,8CI);2-Methoxy-4-(methoxymethyl)phenol;4-Hydroxy-3-methoxybenzyl methyl ether;Methyl vanillyl ether;Vanillyl alcohol methyl ether;Vanillyl methyl ether;
EINECS: 226-882-9
Density: 1.113 g/cm3
Boiling Point: 258.5 °C at 760 mmHg
Flash Point: 110.1 °C
Solubility: 2.15g/L at 24℃
PSA: 38.69000
LogP: 1.54720
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Specification

The Phenol,2-methoxy-4-(methoxymethyl)-, with the CAS registry number 5533-03-9, is also known as 4-Hydroxy-3-methoxybenzyl methyl ether. This chemical's molecular formula is C9H12O3 and molecular weight is 168.19. What's more, its systematic name is 2-Methoxy-4-(methoxymethyl)phenol and its EINECS number is 226-882-9.

Physical properties of Phenol,2-methoxy-4-(methoxymethyl)- are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.98; (6)ACD/BCF (pH 7.4): 2.97; (7)ACD/KOC (pH 5.5): 75.95; (8)ACD/KOC (pH 7.4): 75.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 46.1 cm3; (15)Molar Volume: 151 cm3; (16)Polarizability: 18.27×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 51.61 kJ/mol; (21)Boiling Point: 258.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00849 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1OC)COC
(2)InChI: InChI=1/C9H12O3/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,10H,6H2,1-2H3
(3)InChIKey: USDDPDQEVLAOBO-UHFFFAOYSA-N