2-ethyl-9,10-dimethoxyanthracene

• ChemBase ID: 150790
• Molecular Formular: C18H18O2
• Molecular Mass: 266.33432
• Monoisotopic Mass: 266.13067982
• SMILES: CCc1ccc2c(c1)c(c1ccccc1c2OC)OC
• Canonical SMILES: COc1c2cc(CC)ccc2c(c2c1cccc2)OC
• InChI: InChI=1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3
• InChIKey: SURWYRGVICLUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-9,10-dimethoxyanthracene
• IUPAC Traditional name: 2-ethyl-9,10-dimethoxyanthracene
• Synonyms: 2-Ethyl-9,10-dimethoxyanthracene; 2-乙基-9,10-二甲氧基蒽

Database IDs

• CAS Number: 26708-04-3
• MDL Number: MFCD00075578
• PubChem SID: 24863024; 162244950
• PubChem CID: 736188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5948467
• LogD (pH = 7.4): 4.5948467
• Log P: 4.5948467
• Molar Refractivity: 81.527 cm^3
• Polarizability: 34.159805 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-119 °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: 97%
• Empirical Formula (Hill Notation): C18H18O2

DETAILS

Sigma Aldrich - 372285

Packaging
25 g in poly bottle
5 g in glass bottle