Reported in EPA TSCA Inventory.

1. Introduction of 1,3,5-Trimethoxybenzene
The IUPAC name of this chemical is 1,3,5-Trimethoxybenzene. With the CAS registry number 621-23-8 and EINECS 210-673-4, it is also named as Benzene,1,3,5-trimethoxy-. In addition, the formula is C₉H₁₂O₃ and the molecular weight is 168.19. It belongs to the classes of Aromatic Ethers; Active Pharmaceutical Ingredients; Benzene derivates. And it is a kind of white crystalline powder.

2. Properties of 1,3,5-Trimethoxybenzene
Physical properties about 1,3,5-Trimethoxybenzene are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 27.69 Å²; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 46.28 cm³; (11)Molar Volume: 161.4 cm³; (12)Polarizability: 18.35 ×10^-24cm³; (13)Surface Tension: 29.8 dyne/cm; (14)Density: 1.041 g/cm³; (15)Flash Point: 85.6 °C; (16)Enthalpy of Vaporization: 47.46 kJ/mol; (17)Boiling Point: 257 °C at 760 mmHg; (18)Vapour Pressure: 0.0239 mmHg at 25°C.

3. Structure Descriptors of 1,3,5-Trimethoxybenzene
(1)SMILES: COc1cc(cc(OC)c1)OC
(2)InChI: InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
(3)InChIKey: LKUDPHPHKOZXCD-UHFFFAOYAM

4. Toxicity of 1,3,5-Trimethoxybenzene

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	580mg/kg (580mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse	LD50	oral	1480mg/kg (1480mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse	LD50	subcutaneous	2800mg/kg (2800mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

5. Use of 1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene it can be used to get 2-bromo-1,3,5-trimethoxy-benzene. This reaction will need reagents 30percent H₂O₂, aq. HClO₄ and KBr, catalyst ammonium metavanadate and solvents methanol and H₂O. The reaction time is 24 hours at ambient temperature. The yield is about 90%.


6. Preparation of 1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene can be prepared by sulfuric acid dimethyl ester and benzene-1,3,5-triol. This reaction will need reagent K₂CO₃ and solvent acetone. The reaction time is 24 hours and the yield is about 80% by heating.



7. Other details of 1,3,5-Trimethoxybenzene
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. You should avoid contact with skin and eyes and wear suitable protective clothing when you are using it.