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Name |
3,4-divanillyltetrahydrofuran |
EINECS | N/A |
CAS No. | 34730-78-4 | Density | 1.224 g/cm3 |
PSA | 68.15000 | LogP | 3.16280 |
Solubility | N/A | Melting Point |
116-117℃ |
Formula | C20H24O5 | Boiling Point | 527.8 °C at 760 mmHg |
Molecular Weight | 344.408 | Flash Point | 273 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Divanillyltetrahydrofuran;3,4-Divanilyltetrahydrofuran;Creosol, a,a'-(tetrahydro-3,4-furandiyl)di- (6CI); |
Article Data | 4 |
The 3,4-divanillyltetrahydrofuran, with its CAS registry number 34730-78-4, has its systematic name of 4,4'-(tetrahydrofuran-3,4-diyldimethanediyl)bis(2-methoxyphenol). And with its molecular formula of C20H24O5, it could also be called as 3,4-Divanillyltetrahydrofuran.
Physical properties of 3,4-divanillyltetrahydrofuran: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.86; (6)ACD/BCF (pH 7.4): 61.62; (7)ACD/KOC (pH 5.5): 666.66; (8)ACD/KOC (pH 7.4): 664.07; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 95.5 cm3; (15)Molar Volume: 281.2 cm3; (16)Polarizability: 37.86×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 273 °C; (20)Enthalpy of Vaporization: 83.26 kJ/mol; (21)Boiling Point: 527.8 °C at 760 mmHg; (22)Vapour Pressure: 9.35E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Oc1ccc(cc1OC)CC3COCC3Cc2cc(OC)c(O)cc2
(2)InChI:InChI=1/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
(3)InChIKey:ROGUIJKVZZROIQ-UHFFFAOYAP