trans,trans,cis-1,5,9-Cyclododecatriene - CAS 706-31-0
Catalog: |
BB034200 |
Product Name: |
trans,trans,cis-1,5,9-Cyclododecatriene |
CAS: |
706-31-0 |
Synonyms: |
cyclododeca-1,5,9-triene |
IUPAC Name: | cyclododeca-1,5,9-triene |
Description: | trans,trans,cis-1,5,9-Cyclododecatriene (CAS# 706-31-0) is used as a reagent in the synthesis of 1,2,5,6,9,10-Hexabromocyclododecane (H290740); a flame retardant used in foamed polystyrene. |
Molecular Weight: | 162.27 |
Molecular Formula: | C12H18 |
Canonical SMILES: | C1CC=CCCC=CCCC=C1 |
InChI: | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2 |
InChI Key: | ZOLLIQAKMYWTBR-UHFFFAOYSA-N |
Boiling Point: | 231 °C (lit.) |
Melting Point: | -18 °C (lit.) |
Flash Point: | 160 °F |
Purity: | 95 % |
Density: | 0.89 g/mL at 25 °C (lit.) |
Appearance: | Colorless liquid |
Storage: | 2-8 °C |
LogP: | 4.00920 |
Vapor Pressure: | 0.08 [mmHg] |
GHS Hazard Statement: | H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] |
Precautionary Statement: | P261, P271, P273, P304+P340, P311, P321, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021175617-A1 | Oxygen scavenging polymer particles | 20200304 |
EP-3666749-A1 | Dodeca-4,8,11-trien-1-ol and its use as aroma chemical | 20181211 |
WO-2020120469-A1 | Dodeca-4,8,11-trien-1-ol and its use as aroma chemical | 20181211 |
CN-113166006-A | Dodeca-4, 8, 11-trien-1-ols and their use as fragrance chemicals | 20181211 |
EP-3894381-A1 | Dodeca-4,8,11-trien-1-ol and its use as aroma chemical | 20181211 |
PMID | Publication Date | Title | Journal |
21724224 | 20110801 | Preparation and X-ray structural characterization of further stereoisomers of 1,2,5,6,9,10-hexabromocyclododecane | Chemosphere |
21469729 | 20110503 | Surface-initiated ring-opening metathesis polymerization in the vapor phase: an efficient method for grafting cyclic olefins with low strain energies | Langmuir : the ACS journal of surfaces and colloids |
19274285 | 20090328 | A non-classical copper carbonyl on a tri-alkene hydrocarbon support | Dalton transactions (Cambridge, England : 2003) |
19225685 | 20090307 | Synthesis of the non-adjacent bis-THF core of cis-sylvaticin using a double oxidative cyclisation | Organic & biomolecular chemistry |
19199611 | 20090225 | Ring-expansion metathesis polymerization: catalyst-dependent polymerization profiles | Journal of the American Chemical Society |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.140850574 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.140850574 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 3 |
XLogP3: | 4.5 |
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