1,2,6,7,8,9,10,12B-Octahydro-3-Methylbenz(j)Aceanthrylene
[CAS# 35281-27-7]

Identification

• Name: 1,2,6,7,8,9,10,12B-Octahydro-3-Methylbenz(j)Aceanthrylene
• Synonyms: 6,7,8,9,10,12B-Hexahydro-3-Methyl-Cholanthrene; Brn 2465473; Benz(J)Aceanthrylene, 1,2,6,7,8,9,10,12B-Octahydro-3-Methyl-
• Molecular Formula: C₂₁H₂₂
• Molecular Weight: 274.40
• CAS Registry Number: 35281-27-7
• SMILES: C1=C(C)C3=C2C(=C1)CC4=C(C2CC3)C=CC5=C4CCCC5
• InChI: 1S/C21H22/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h6-9,19H,2-5,10-12H2,1H3
• InChIKey: ZDSPIWHPOSTIAY-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 417.369°C at 760 mmHg (Cal.)
• Flash point: 228.914°C (Cal.)