2,6-dimethoxybenzene-1,4-diol

• ChemBase ID: 77393
• Molecular Formular: C8H10O4
• Molecular Mass: 170.1626
• Monoisotopic Mass: 170.0579088
• SMILES: Oc1cc(c(c(c1)OC)O)OC
• Canonical SMILES: COc1cc(O)cc(c1O)OC
• InChI: InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
• InChIKey: GXAVBFNRWXCOPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxybenzene-1,4-diol
• IUPAC Traditional name: HYDROQUINONE26dimethoxy
• Synonyms: 1,4-Dihydroxy-2,6-dimethoxybenzene; 2,6-Dimethoxyhydroxyquinone; 1,4-Dihydroxy-2,6-dimethoxybenzene; 2,6-二甲氧基羟基醌; 2,6-二甲氧基对苯二酚

Database IDs

• CAS Number: 15233-65-5
• EC Number: 239-282-7
• MDL Number: MFCD00017160
• PubChem SID: 24879935; 162042266
• PubChem CID: 96038

CALCULATED PROPERTIES

• Acid pKa: 9.591378
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0507376
• LogD (pH = 7.4): 1.0480039
• Log P: 1.0507727
• Molar Refractivity: 42.9462 cm^3
• Polarizability: 16.627153 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-162 °C(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: MX5800000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (CH3O)2C6H2(OH)2

DETAILS

Sigma Aldrich - 565032

Packaging
5 g in glass bottle