2,6-diethylnaphthalene

• ChemBase ID: 147575
• Molecular Formular: C14H16
• Molecular Mass: 184.27684
• Monoisotopic Mass: 184.12520051
• SMILES: CCc1ccc2cc(ccc2c1)CC
• Canonical SMILES: CCc1ccc2c(c1)ccc(c2)CC
• InChI: InChI=1S/C14H16/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11/h5-10H,3-4H2,1-2H3
• InChIKey: CJJFFBINNGWEBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethylnaphthalene
• IUPAC Traditional name: 2,6-diethylnaphthalene
• Synonyms: 2,6-Diethylnaphthalene; 2,6-二乙基萘

Database IDs

• CAS Number: 59919-41-4
• MDL Number: MFCD02683537
• PubChem SID: 24874484; 162241763
• PubChem CID: 3017163

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8787026
• LogD (pH = 7.4): 4.8787026
• Log P: 4.8787026
• Molar Refractivity: 61.7926 cm^3
• Polarizability: 25.263046 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-53 °C(lit.)

Safety Information

• 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: C10H6(C2H5)2

DETAILS

Sigma Aldrich - 525456

Packaging
50 g in poly bottle