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| CAS No.: | 19676-64-3 |
|---|---|
| Name: | 2,3,4-Trimethoxyphenol |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C9H12O4 |
| Molecular Weight: | 184.192 |
| Synonyms: | 1-Hydroxy-2,3,4-trimethoxybenzene;2,3,4-Trimethoxyphenol; |
| Density: | 1.152 g/cm3 |
| Melting Point: | 44.5 °C |
| Boiling Point: | 289.2 °C at 760 mmHg |
| Flash Point: | 128.7 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 47.92000 |
| LogP: | 1.41800 |
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Specification
The 2,3,4-Trimethoxyphenol, with the CAS registry number 19676-64-3, is also called 2,3,4-Trimethoxybenzolol. It is a kind of irritant chemical, and belongs to the product category of Aromatic Phenols. The molecular formula of the chemical is C9H12O4.
The characteristics of 2,3,4-Trimethoxyphenol are as followings: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 2.15; (7)ACD/KOC (pH 5.5): 60.22; (8)ACD/KOC (pH 7.4): 60.1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 48.17 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 19.09×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 128.7 °C; (20)Enthalpy of Vaporization: 54.96 kJ/mol; (21)Boiling Point: 289.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00129 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1c(O)ccc(OC)c1OC)C
(2)InChI: InChI=1/C9H12O4/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5,10H,1-3H3
(3)InChIKey: OLUNIGWWQYXBJA-UHFFFAOYAW