227714

3,4,5-Trimethoxytoluene

97%

• Synonym(s): 5-Methylpyrogallol trimethyl ether
• Linear Formula: (CH₃O)₃C₆H₂CH₃
• CAS Number: 6443-69-2
• Molecular Weight: 182.22
• Beilstein: 1953791
• EC Number: 229-239-0
• MDL number: MFCD00008397
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853648
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.523 (lit.)
• bp: 117-118 °C/5 mmHg (lit.)
• mp: 24-26 °C (lit.)
• density: 1.082 g/mL at 25 °C (lit.)
• SMILES string: COc1cc(C)cc(OC)c1OC
• InChI: 1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
• InChI key: KCIZTNZGSBSSRM-UHFFFAOYSA-N

Description

Application

3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl).

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 165.2 °F - closed cup
• Flash Point(C): 74 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves