1,2,3,5-tetramethoxybenzene

• ChemBase ID: 151968
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: COc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C10H14O4/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6H,1-4H3
• InChIKey: OIHYPOOSWQXFMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,5-tetramethoxybenzene
• IUPAC Traditional name: 1,2,3,5-tetramethoxybenzene
• Synonyms: 1,2,3,5-Tetramethoxybenzene; 1,2,3,5-四甲氧基苯

Database IDs

• CAS Number: 5333-45-9
• MDL Number: MFCD00017154
• PubChem SID: 162246114; 24879934
• PubChem CID: 220118

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3425608
• LogD (pH = 7.4): 1.3425608
• Log P: 1.3425608
• Molar Refractivity: 51.9108 cm^3
• Polarizability: 20.425014 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: C6H2(OCH3)4

DETAILS

Sigma Aldrich - 565024

Packaging
5 g in glass bottle