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CAS No.: | 66322-34-7 |
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Name: | Dihydroguaiaretic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C20H26O4 |
Molecular Weight: | 330.424 |
Synonyms: | Tetrahydrothebaine;4,4'-dihydroxy-3,3'-dimethoxylignan;4,5alpha-Epoxy-3,6-dimethoxy-17-methylmorphinan;meso-4,4'-dihydroxy-3,3'-dimethoxylignane;meso-dihydroguaiaretic acid; |
Density: | 1.121 g/cm3 |
Melting Point: | 88-89 °C |
Boiling Point: | 488.3 °C at 760 mmHg |
Flash Point: | 249.1 °C |
PSA: | 58.92000 |
LogP: | 4.17240 |
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The Dihydroguaiaretic acid, with the CAS registry number 66322-34-7, is also known as 4,4'-Dihydroxy-3,3'-dimethoxylignan. This chemical's molecular formula is C20H26O4 and molecular weight is 330.418. Its systematic name is called 4-[(2R,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol.
Physical properties of Dihydroguaiaretic acid: (1)ACD/LogP: 4.33; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 9; (5)Index of Refraction: 1.564; (6)Molar Refractivity: 95.85 cm3; (7)Molar Volume: 294.5 cm3; (8)Surface Tension: 42.7 dyne/cm; (9)Density: 1.121 g/cm3; (10)Flash Point: 249.1 °C; (11)Enthalpy of Vaporization: 78.31 kJ/mol; (12)Boiling Point: 488.3 °C at 760 mmHg; (13)Vapour Pressure: 3.68E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1OC)C[C@H](C)[C@H](C)Cc2ccc(O)c(OC)c2
(2)InChI: InChI=1/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
(3)InChIKey: ADFOLUXMYYCTRR-OKILXGFUBG