1,4,5-Trimethyl-Naphthalene
[CAS# 2131-41-1]

Identification

• Name: 1,4,5-Trimethyl-Naphthalene
• Synonyms: Naphthalene, 1,4,5-Trimethyl-
• Molecular Formula: C₁₃H₁₄
• Molecular Weight: 170.25
• CAS Registry Number: 2131-41-1
• EINECS: 218-356-2
• SMILES: C1=CC(=C2C(=C1C)C=CC=C2C)C
• InChI: 1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3
• InChIKey: FSAWRQYDMHSDRN-UHFFFAOYSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Melting point: 60°C (Expl.)
• Boiling point: 290.269°C at 760 mmHg (Cal.)
• Flash point: 130.51°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493