Torulene
[CAS# 547-23-9]

Identification

• Name: Torulene
• Synonyms: 2-(3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-Dodecaenyl)-1,3,3-Trimethylcyclohexene; 2-(3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-Dodecaenyl)-1,3,3-Trimethyl-Cyclohexene; 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-Dodecaenyl]-1,3,3-Trimethyl-Cyclohexene
• Molecular Formula: C₄₀H₅₄
• Molecular Weight: 534.87
• CAS Registry Number: 547-23-9
• SMILES: CC1=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C=C(C)C)C)C)C)C)C)C(CCC1)(C)C
• InChI: 1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
• InChIKey: AIBOHNYYKWYQMM-MXBSLTGDSA-N

Properties

• Density: 0.921g/cm³ (Cal.)
• Boiling point: 669.641°C at 760 mmHg (Cal.)
• Flash point: 353.607°C (Cal.)

References

• (1): Cardani C, Merlini L, Mondelli R. Sui pigmenti del Paederus fuscipes Curt, Gazzetta Chimica Italiana 1962, 92, 42-60