trans,trans,trans-1,5,9-Cyclododecatriene
[CAS# 676-22-2]

Identification

• Classification: Organic raw materials >> Hydrocarbon compounds and their derivatives >> Cyclic hydrocarbon
• Name: trans,trans,trans-1,5,9-Cyclododecatriene
• Synonyms: (5E,9E)-Cyclododeca-1,5,9-Triene; 28760_Fluka; Ncgc00164094-01
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.27
• CAS Registry Number: 676-22-2
• EINECS: 211-626-0
• SMILES: C1\C=C\CC\C=C\CC/C=C/C1
• InChI: 1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+
• InChIKey: ZOLLIQAKMYWTBR-FFWAUJBHSA-N

Properties

• Density: 0.8±0.1g/cm³ (Cal.)
• Melting point: -18°C (Expl.)
• Boiling point: 239.999°C at 760 mmHg (Cal.)
• Flash point: 87.778°C (Cal.)
• Refractive index: 1.507 (Expl.)

Safety Data

• Safety Code: S9;S23;S24;S26;S37;S57
• Risk Code: R20;R36/37/38;R43;R51/53
• Hazard Symbol: X;N
• Transport Information: UN2518
• Safety Description: DANGER: POISON, CORROSIVE, burns eyes, skin, lungs

References

• (1): Keith Smith, Chia-Hui Liu, Gamal A. El-Hiti, Gurvinder S. Kang, Elfyn Jones, Simon G. Clement, Alex D. Checquer, Oliver W. Howarth, Michael B. Hursthouse and Simon J. Coles. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations, Org. Biomol. Chem., 2005, 3, 1880.