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Cas Database |
| Name |
Cyclododeca-1,5,9-triene |
EINECS | 225-533-8 |
| CAS No. | 4904-61-4 | Density | 0.89 g/mL at 20 °C(lit.) |
| PSA | 0.00000 | LogP | 4.00920 |
| Solubility | 280μg/L at 20℃ | Melting Point |
33-35 °C(lit.) |
| Formula | C12H18 | Boiling Point | 237-238 °C(lit.) |
| Molecular Weight | 162.275 | Flash Point | 178 °F |
| Transport Information | UN 2518 6.1/PG 3 | Appearance | colorless liquid |
| Safety | 26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
NSC72433; |
Article Data | 27 |
Cyclododeca-1,5,9-triene Synthetic route
- 100-42-5
styrene
- 106-99-0
buta-1,3-diene
A
- 1552-12-1, 111-78-4
1,5-cis,cis-cyclooctadiene
B
- 4904-61-4
cyclododeca-1,5,9-triene
C
- 13107-72-7
1-phenyl-1,4,8(9)-decatriene
| Conditions | Yield |
|---|---|
| With Ni acetylacetonate; triethylaluminum; triphenylphosphine In toluene at 90℃; for 1.41667h; Kinetics; Mechanism; Product distribution; other temperature; various ratio of components. Other object of study: the rate constants; | A 11.2 % Turnov. B 10.2 % Turnov. C 78.6 % Turnov. |
- 106-99-0
buta-1,3-diene
A
- 1552-12-1, 111-78-4
1,5-cis,cis-cyclooctadiene
B
- 695-12-5
vinylcyclohexane
C
- 4904-61-4
cyclododeca-1,5,9-triene
| Conditions | Yield |
|---|---|
| at 80℃; for 5h; Product distribution; also in presence aprotic solvents, var, times, temp.; |
- 106-99-0
buta-1,3-diene
A
- 1552-12-1, 111-78-4
1,5-cis,cis-cyclooctadiene
B
- 1002-35-3
octa-1,3,7-triene
C
- 925-52-0
5-methyl-hepta-1,3,6-triene
D
- 100-40-3
4-ethenylcyclohexene
E
- 4904-61-4
cyclododeca-1,5,9-triene
| Conditions | Yield |
|---|---|
| With iron(III)-acetylacetonate; C17H34O2P2; triethylaluminum In benzene at 50℃; for 4h; Product distribution; Pressure (range begins): 730 ; |
| Conditions | Yield |
|---|---|
| With iron(III)-acetylacetonate; PC-P(OBu-t)2; triethylaluminum In benzene at 50℃; for 1h; Product distribution; Pressure (range begins): 730 ; |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide at 165℃; for 24h; Product distribution; Further Variations:; Reagents; Temperatures; copolymerization; |
| Conditions | Yield |
|---|---|
| ethylaluminum sesquichloride; water; titanium tetrachloride In benzene at 60℃; under 1500.15 Torr; Product distribution / selectivity; | |
| ethylaluminum sesquichloride; ammonia; water; titanium tetrachloride In benzene at 46 - 60℃; under 1500.15 Torr; Product distribution / selectivity; | |
| ethylaluminum sesquichloride; ammonia; water; titanium tetrachloride In benzene at 60℃; under 1500.15 Torr; Product distribution / selectivity; | |
| ethylaluminum sesquichloride; ammonia; water; titanium tetrachloride In 1-vinylcyclohexene; 1,3-cyclooctadiene at 60℃; under 1500.15 Torr; Product distribution / selectivity; | |
| ethylaluminum sesquichloride; ammonia; titanium tetrachloride In benzene at 60℃; under 1500.15 Torr; Product distribution / selectivity; |
- 4904-61-4
cyclododeca-1,5,9-triene
A
- 294-62-2
cyclododecane
B
- 1501-82-2
cyclododecene
C
- 1502-04-1, 67881-13-4
cyclododeca-1,5-diene
| Conditions | Yield |
|---|---|
| With hydrogen at 80 - 160℃; under 760.051 Torr; Reagent/catalyst; Flow reactor; | A 100% B n/a C n/a |
| With hydrogen; Ru4Sn6/Davison 923 mesoporous silica at 119.84℃; under 22502.3 Torr; for 12h; Product distribution; Further Variations:; reaction times; |
- 100-42-5
styrene
- 100-40-3
4-ethenylcyclohexene
- 4904-61-4
cyclododeca-1,5,9-triene
- polymer, average characteristics Mn 2570 Da, Mw 5080 Da, Mz 8020 Da; monomer(s): styrene; 4-vinylcyclohexene; 1,5,9-cyclododecatriene; n-dodeca-2,4,6,10-tetraene
polymer, average characteristics Mn 2570 Da, Mw 5080 Da, Mz 8020 Da; monomer(s): styrene; 4-vinylcyclohexene; 1,5,9-cyclododecatriene; n-dodeca-2,4,6,10-tetraene
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide In octane; toluene at 160℃; for 18h; | 99.2% |
- 4904-61-4
cyclododeca-1,5,9-triene
- 1502-04-1, 67881-13-4
cyclododeca-1,5-diene
| Conditions | Yield |
|---|---|
| With hydrogen at 240℃; under 760.051 Torr; for 0.000916667h; | 96% |
| With hydrogen In methanol at 20℃; under 750.075 Torr; Catalytic behavior; Green chemistry; |
| Conditions | Yield |
|---|---|
| With bromine In dichloromethane; 2-methyl-propan-1-ol; chloroform at 14 - 15℃; pH=7; Large scale; | 96% |
| With bromine; sodium bromide In 2-methyl-propan-1-ol; chloroform; water at 10 - 15℃; for 4.5h; Solvent; Reagent/catalyst; Cooling with ice; | 94.9% |
| With hydrogen bromide; bromine In 2-ethoxy-ethanol at 50 - 90℃; for 17h; Temperature; | 92% |
| With 1-(-sulfonato)propyl-3-propanesulfonic acid imidazolium; hydrogen bromide; bromine In 2-ethoxy-ethanol at 50 - 90℃; for 8h; Temperature; | 90% |
| With bromine In 2-methyl-propan-1-ol; 1,2-dichloro-ethane at 30 - 50℃; for 5.25h; |
Cyclododeca-1,5,9-triene Chemical Properties
Chemistry informtion about Cis,Trans,Trans-Cyclododeca-1,5,9-Triene (CAS NO.4904-61-4) is:
IUPAC Name: (1E,5E,9E)-Cyclododeca-1,5,9-Triene
Synonyms: (Z,E,E)-Cdt ; 1,5,9-Cyclododecatriene (Z,E,E) ; 1,5,9-Cyclododecatriene(Z,E,E) ; 1,5,9-Cyclooctatriene ; Cddt ; Cis,Trans,Trans-Cyclododeca-1,5,9-Triene ; Cyclododecatriene ; Trans,Trans,Trans-Cyclododeca-1,5,9-Triene
MF: C12H18
MW: 162.27
EINECS: 225-533-8
Melting Point: 33-35 °C(lit.)
Density: 0.841 g/cm3
Flash Point: 87.8 °C
Boiling Point: 240 °C at 760 mmHg
Vapour Pressure: 0.0602 mmHg at 25°C
Enthalpy of Vaporization: 45.76 kJ/mol
Storage temp.: 2-8°C
Following is the molecular structure of Cis,Trans,Trans-Cyclododeca-1,5,9-Triene (CAS NO.4904-61-4) is:
Cyclododeca-1,5,9-triene Uses
Cis,Trans,Trans-Cyclododeca-1,5,9-Triene (CAS NO.4904-61-4) can be used to make other chemicals.
Cyclododeca-1,5,9-triene Production
Raw materials: 1,3-Butadiene
Preparation Products: Dodecanedioic acid --> Cyclododecane--> Cyclododecene
Cyclododeca-1,5,9-triene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | 7500mg/m3/6H (7500mg/m3) | behavioral: convulsions or effect on seizure threshold lungs, thorax, or respiration: dyspnea | National Technical Information Service. Vol. OTS0557883, |
| rat | LD50 | oral | 1780mg/kg (1780mg/kg) | behavioral: tremor | National Technical Information Service. Vol. OTS0557883, |
| rat | LD50 | skin | > 3600mg/kg (3600mg/kg) | National Technical Information Service. Vol. OTS0557883 |
Cyclododeca-1,5,9-triene Safety Profile
An eye and severe skin irritant. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes:
C
Risk Statements:
R34:Causes burns.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2518 6.1/PG 3
WGK Germany :3
RTECS: GU2310000
Cyclododeca-1,5,9-triene Specification
Cis,Trans,Trans-Cyclododeca-1,5,9-Triene (CAS NO.4904-61-4) is a colorless liquid. It is toxic by skin absorption and ingestion and irritating to skin and eyes. It may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions. Exposure can cause irritation and burns of eyes, nose and throat.
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