2,3,4-Trimethoxyphenol supplier

Name
2,3,4-Trimethoxyphenol
EINECS
CAS No. 19676-64-3
Article Data53
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point 44.5 °C
Formula C₉H₁₂O₄
Boiling Point 289.2 °C at 760 mmHg
Molecular Weight 184.192
Flash Point 128.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Hydroxy-2,3,4-trimethoxybenzene;2,3,4-Trimethoxyphenol;
PSA 47.92000
LogP 1.41800

2,3,4-Trimethoxyphenol 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

Product Name

2,3,4-Trimethoxyphenol

2,3,4-Trimethoxyphenol Specification

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