Cyclododeca-1,5,9-triene supplier

Name
Cyclododeca-1,5,9-triene
EINECS 225-533-8
CAS No. 4904-61-4
Article Data27
CAS DataBase
Density 0.89 g/mL at 20 °C(lit.)
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;
PSA 0.00000
LogP 4.00920

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

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.

...Expand

: 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

Conditions	Yield
at 80℃; for 5h; Product distribution; also in presence aprotic solvents, var, times, temp.;

...Expand

: 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

Conditions	Yield
With iron(III)-acetylacetonate; C17H34O2P2; triethylaluminum In benzene at 50℃; for 4h; Product distribution; Pressure (range begins): 730 ;

...Expand

: 106-99-0
buta-1,3-diene

A: 925-52-0
5-methyl-hepta-1,3,6-triene

B: 4904-61-4
cyclododeca-1,5,9-triene

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; PC-P(OBu-t)2; triethylaluminum In benzene at 50℃; for 1h; Product distribution; Pressure (range begins): 730 ;

: 100-42-5
styrene

butadiene oligomers: butadiene oligomers

A: 100-40-3
4-ethenylcyclohexene

B: 4904-61-4
cyclododeca-1,5,9-triene

C: n-dodeca-2,4,6,10-tetraene

D copolymer of butadiene oligomers with styrene: copolymer of butadiene oligomers with styrene

Conditions

Conditions	Yield
With tert.-butylhydroperoxide at 165℃; for 24h; Product distribution; Further Variations:; Reagents; Temperatures; copolymerization;

...Expand

: 106-99-0
buta-1,3-diene

A: 4904-61-4
cyclododeca-1,5,9-triene

B polybutadiene: polybutadiene

Conditions

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

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;

...Expand

: 100-42-5
styrene

: 100-40-3
4-ethenylcyclohexene

: 4904-61-4
cyclododeca-1,5,9-triene

: 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: 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

Conditions	Yield
With tert.-butylhydroperoxide In octane; toluene at 160℃; for 18h;	99.2%

...Expand

: 4904-61-4
cyclododeca-1,5,9-triene

: 1502-04-1, 67881-13-4
cyclododeca-1,5-diene

Conditions

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;

: 4904-61-4
cyclododeca-1,5,9-triene

: 3194-55-6
1,2,5,6,9,10-hexabromocyclododecane

Conditions

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;

: 4904-61-4
cyclododeca-1,5,9-triene

: 2855-27-8
1.2.4- trivinylcyclohexane

Conditions

Conditions	Yield
at 507℃; under 740 Torr; for 1h; Pressure; Temperature; Time; Inert atmosphere;	76.7%

: 4904-61-4
cyclododeca-1,5,9-triene

: 15786-26-2
Cyclododecadien-(5,9)-diol-(1,2)

Conditions

Conditions	Yield
With osmium(VIII) oxide; 4-methylmorpholine N-oxide In dichloromethane; water at 20℃; for 24h;	76%
Stage #1: cyclododeca-1,5,9-triene With pyridine; osmium(VIII) oxide In ethanol at 0℃; for 2h; Stage #2: With sodium hydrogensulfite In ethanol at 20℃; for 12h;
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane 2: water View Scheme

: 4904-61-4
cyclododeca-1,5,9-triene

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 50℃; under 760.051 Torr; for 6h;	68%
With hydrogen; oxohalogenophosphinerhenium complexes In toluene at 165℃; under 38000 Torr; Product distribution; different catalysts; other molar ratio PPh3 : catalyst;

: 4904-61-4
cyclododeca-1,5,9-triene

A: 1501-82-2
cyclododecene

B: 1502-04-1, 67881-13-4
cyclododeca-1,5-diene

Conditions

Conditions	Yield
With hydrogen at 240℃; under 760.051 Torr; for 0.000638889h;	A 65% B 25%
Stage #1: cyclododeca-1,5,9-triene With hydrogen; 0.5% palladium on alumina at 120℃; under 825.083 Torr; Industry scale; Gas phase; Stage #2: 0.5% palladium on alumina Product distribution / selectivity;	A n/a B 0.2%
Stage #1: cyclododeca-1,5,9-triene With carbon monoxide; hydrogen; 0.5% palladium on alumina at 120℃; under 825.083 Torr; Industry scale; Gas phase; Stage #2: 0.5% palladium on alumina Product distribution / selectivity;	A n/a B 0.2%
With hydrogen; Ru4Sn6/Davison 923 mesoporous silica at 99.84℃; under 22502.3 Torr; for 8h; Product distribution; Further Variations:; Catalysts; Temperatures;

: 4904-61-4
cyclododeca-1,5,9-triene

: 943-93-1
1,2-epoxy-5,9-cyclododecadiene

Conditions

Conditions	Yield
With oxygen; isobutyraldehyde In acetonitrile at 60℃; for 4h;	53%
Stage #1: cyclododeca-1,5,9-triene With Aliquat 336 Under N2; Stirring; Heating up to 75 °ree;C; Stage #2: With phosphoric acid; dihydrogen peroxide; sodium tungstate In water at 75℃; for 1.5h; 60 % aq. H2O2 was added at 75 °ree;C; Na2WO4 and H3PO4 were added over a time of 25 min;	163.1 g
Stage #1: cyclododeca-1,5,9-triene Under N2; Stirring; Heating up to 75 °ree;C; Stage #2: With phosphoric acid; dihydrogen peroxide; sodium tungstate In water at 75℃; for 1.5h; 60 % aq. H2O2 was added at 75 °ree;C; Na2WO4 and H3PO4 were added over a time of 25 min;	160.6 g

: 4904-61-4
cyclododeca-1,5,9-triene

: 17976-92-0
1,2-dihydroacenaphthylene-1,2-diol

: (6bRS,7RS,7aRS,13aSR,14SR,14aRS)-7,7a,8,9,10,11,12,13,13a,14-decahydro-7,14-ethenocycloocta[k]fluoranthene-6b,14a-diol

Conditions

Conditions	Yield
With dodecacarbonyl-triangulo-triruthenium; 1,2-bis-(diphenylphosphino)ethane at 130℃; for 40h; Sealed tube; Inert atmosphere; diastereoselective reaction;	43%

: 56-23-5
tetrachloromethane

: 4904-61-4
cyclododeca-1,5,9-triene

A: 1207726-79-1
1-hydroxy-2-(trichloromethyl)cyclododecadiene-5,9

B: 1855-53-4
1-chloro-2-(trichloromethyl)cyclododecadiene-5,9

Conditions

Conditions	Yield
With chromium(III) acetylacetonate; water In acetonitrile at 130℃; for 6h; Autoclave;	A 6% B 24%

...Expand

: 4904-61-4
cyclododeca-1,5,9-triene

: 1895-39-2
sodium chlorodifluoroacetate

A: 1269640-17-6
(4Z,8Z)-13,13-difluoro-bicyclo[10.1.0]trideca-4,8-diene

B: 1269662-62-5
(9E)-5,5,14,14-tetrafluoro-tricyclo[11.1.0.04,6]tetradec-9-ene

Conditions

Conditions	Yield
at 190℃; Pyrolysis;	A 4.2% B 13.8%

...Expand

: 67-56-1
methanol

: 64-18-6
formic acid

: 4904-61-4
cyclododeca-1,5,9-triene

: 37974-01-9
Octahydro-cyclopenta[d]indene-3a-carboxylic acid methyl ester

Conditions

Conditions	Yield
(i) H2SO4, CCl4, (ii) /BRN= 1098229/; Multistep reaction;

...Expand

: 4904-61-4
cyclododeca-1,5,9-triene

: 694-53-1
phenylsilane

: 9-Phenylsilyl-1.5-cyclododecadien

Conditions

Conditions	Yield
With dibenzoyl peroxide In n-heptane

: 4904-61-4
cyclododeca-1,5,9-triene

: 949-08-6
10-Chlor-cyclododecadien-(1,5)-on-(9)-oxim

Conditions

Conditions	Yield
With hydrogenchloride; nitrosylchloride In diethyl ether

: 4904-61-4
cyclododeca-1,5,9-triene

: 124-40-3
dimethyl amine

: 18216-23-4
1-Dimethylamino-cyclododecadien-(5,9)-on-2-oxim

Conditions

Conditions	Yield
(i) NOCl, (ii) /BRN= 605257/, aq. MeOH; Multistep reaction;

: 4904-61-4
cyclododeca-1,5,9-triene

: 1501-82-2
cyclododecene

Conditions

Conditions	Yield
With hydrogen; nickel(II) In methanol at 150℃; under 36752.9 Torr; var. solvents, var. catalysts Co and Ni complexes; other object of study- activity of catalysts;
With ruthenium trichloride; formaldehyd; hydrogen; acetic acid; triphenylphosphine In ethanol; water at 25 - 160℃; under 7500.75 - 15001.5 Torr; for 6.66667h;
With ruthenium trichloride; formaldehyd; hydrogen; acetic acid; triphenylphosphine In ethanol; water at 25 - 160℃; under 7500.75 - 15001.5 Torr; for 6.66667h;
With ruthenium trichloride; formaldehyd; hydrogen; acetic acid; triphenylphosphine In ethanol at 160℃; under 15001.5 Torr; Temperature; Pressure;

: 4904-61-4
cyclododeca-1,5,9-triene

: 13050-14-1
12-oxododecanenitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) NOCl, (ii) /BRN= 605257/, aq. MeOH 2: H2 / Pd-C / ethanol 3: SO3 / liquid sulphur dioxide / -30 °C View Scheme

: 4904-61-4
cyclododeca-1,5,9-triene

: 946-89-4
cyclododecanone oxime

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NOCl, HCl / diethyl ether 2: H2 / Pd-C / methanol View Scheme
Multi-step reaction with 4 steps 1: dihydrogen peroxide / phosphotungstic acid; Aliquat 336 / water 2: hydrogen / platinum on activated charcoal 3: lithium iodide / 230 °C 4: hydroxyammonium sulfate; ammonia; sulfuric acid; ammonium sulfate / toluene; water / 85 °C / pH 4 - 5.8 / Industry scale View Scheme
Multi-step reaction with 3 steps 1.1: ruthenium trichloride; triphenylphosphine; acetic acid; formaldehyd; hydrogen / water; ethanol / 6.67 h / 25 - 160 °C / 7500.75 - 15001.5 Torr 2.1: dinitrogen monoxide / cyclohexane / 6 h / 300 - 350 °C / 75007.5 Torr / Flow reactor 3.1: ammonium acetate / ethanol / 80 °C 3.2: 0.5 h / 1350.14 Torr View Scheme
Multi-step reaction with 3 steps 1.1: triphenylphosphine; ruthenium trichloride; acetic acid; formaldehyd; hydrogen / water; ethanol / 6.67 h / 25 - 160 °C / 7500.75 - 15001.5 Torr 2.1: dinitrogen monoxide / 1 h / Flow reactor 3.1: ammonium acetate; ammonia / ethanol / 0.5 h / 80 °C / 1350.14 Torr / Flow reactor 3.2: Flow reactor View Scheme

: 4904-61-4
cyclododeca-1,5,9-triene

: 72193-55-6
9-Aminocyclododecadien-(1,5)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NOCl, HCl / diethyl ether 2: LiAlH4 / diethyl ether View Scheme

: 4904-61-4
cyclododeca-1,5,9-triene

: 18216-22-3
1-Dimethylamino-cyclododecanon-2-oxim

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NOCl, (ii) /BRN= 605257/, aq. MeOH 2: H2 / Pd-C / ethanol View Scheme

: 4904-61-4
cyclododeca-1,5,9-triene

A: 294-62-2
cyclododecane

B: 1501-82-2
cyclododecene

Conditions

Conditions	Yield
With hydrogen; Ru4Sn6/Davison 923 mesoporous silica at 139.84℃; under 22502.3 Torr; for 8h; Product distribution; Further Variations:; Catalysts; Temperatures;

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:
Corrosive 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.

Product Name

Cyclododeca-1,5,9-triene

Synthetic route

Cyclododeca-1,5,9-triene Chemical Properties

Cyclododeca-1,5,9-triene Uses

Cyclododeca-1,5,9-triene Production

Cyclododeca-1,5,9-triene Toxicity Data With Reference

Cyclododeca-1,5,9-triene Safety Profile

Cyclododeca-1,5,9-triene Specification

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