(3,4-dimethoxyphenyl)methanol

• ChemBase ID: 124687
• Molecular Formular: C9H12O3
• Molecular Mass: 168.18978
• Monoisotopic Mass: 168.07864424
• SMILES: c1(c(ccc(c1)CO)OC)OC
• Canonical SMILES: COc1cc(CO)ccc1OC
• InChI: InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
• InChIKey: OEGPRYNGFWGMMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethoxyphenyl)methanol
• IUPAC Traditional name: veratryl alcohol
• Synonyms: (3,4-dimethoxyphenyl)methanol; Veratryl alcohol; Veratrole alcohol; 3,4-Dimethoxybenzyl alcohol; 黎芦醇; 3,4-二甲氧基苯甲醇; 3,4-二甲氧基苄醇

Database IDs

• CAS Number: 93-03-8
• EC Number: 202-212-0
• MDL Number: MFCD00004638
• Beilstein Number: 639388
• PubChem SID: 24864116; 24893258; 162219040
• PubChem CID: 7118
• Chemspider ID: 6851
• Wikipedia Title: Veratrole_alcohol

CALCULATED PROPERTIES

• Acid pKa: 14.95229
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.89055353
• LogD (pH = 7.4): 0.89055353
• Log P: 0.89055353
• Molar Refractivity: 45.8003 cm^3
• Polarizability: 17.825258 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 22°C
• Boiling Point: 296-297 °C/732 mmHg(lit.); 296–297 °C (732 Torr); 297-298°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.157 g/mL at 25 °C(lit.); 1.176
• Refractive Index: 1.5530; n20/D 1.552(lit.); n20/D 1.553

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 96%; 97%
• Grade: purum
• Linear Formula: (CH3O)2C6H3CH2OH

DETAILS

Sigma Aldrich - D133000

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 38700

Other Notes
Protecting group for the guanosine residue during oligonucleotide synthesis1

REFERENCES

• Reagent for protecting the guanosine residue in oligonucleotide synthesis: Chem. Pharm. Bull., 32, 2882 (1984).