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676-22-2

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Basic Information
CAS No.: 676-22-2
Name: TRANS,TRANS,TRANS-1,5,9-CYCLODODECATRIENE
Article Data: 68
Molecular Structure:
Molecular Structure of 676-22-2 (TRANS,TRANS,TRANS-1,5,9-CYCLODODECATRIENE)
Formula: C12H18
Molecular Weight: 162.275
Synonyms: 1,5,9-Cyclododecatriene,(E,E,E)- (8CI); (1E,5E,9E)-Cyclododeca-1,5,9-triene;(E,E,E)-1,5,9-Cyclododecatriene; all-trans-1,5,9-Cyclododecatriene;trans,trans,trans-1,5,9-Cyclododecatriene
EINECS: 225-533-8
Density: 0.841 g/cm3
Melting Point: 33-35 °C(lit.)
Boiling Point: 240 °C at 760 mmHg
Flash Point: 87.8 °C
Hazard Symbols: CorrosiveC
Risk Codes: R34
Safety: S26-36/37/39-45
Transport Information: UN 2518 6
PSA: 0.00000
LogP: 4.00920
Related products
Synthetic route
98700-23-3

3-(triphenylstannyl)-all-trans-1,5,9-cyclododecatriene

A

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

B

tetraphenylstannan

tetraphenylstannan

Conditions
ConditionsYield
With phenyllithium In diethyl ether; benzene for 1h; Ambient temperature;A 99%
B n/a
548757-71-7, 39330-67-1, 33154-75-5, 12126-69-1, 548757-70-6

cis-,cis-,cis-C12H18Ni

A

4736-48-5

(Z,Z,Z)-1,5,9-cyclododecatriene

B

2765-29-9

cis,cis,trans-1,5,9-cyclododecatriene

C

13463-39-3, 71564-36-8

tetracarbonyl nickel

D

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
With carbon monoxide mixture of cyclododecatrienes-1,5,9: 98 % cis-,cis-,cis-; 1,3 % trans-,trans-,trans-; 0.4 % trans-,cic-,cis-;A 98%
B 0.4%
C n/a
D 1.3%
With CO mixture of cyclododecatrienes-1,5,9: 98 % cis-,cis-,cis-; 1,3 % trans-,trans-,trans-; 0.4 % trans-,cic-,cis-;A 98%
B 0.4%
C n/a
D 1.3%
...Expand
37249-40-4

trans-,trans-,cis-C12H18NiP(C6H11-cyclo)3

A

706-31-0

(1E,5E,9Z)-cyclododeca-1,5,9-triene

B

2765-29-9

cis,cis,trans-1,5,9-cyclododecatriene

C

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
With carbon monoxideA 97.8%
B 0.3%
C 0.2%
With COA 97.8%
B 0.3%
C 0.2%
...Expand

trans-,trans-,trans-C12H18NiP(C6H11-cyclo)3

A

2765-29-9

cis,cis,trans-1,5,9-cyclododecatriene

B

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
With carbon monoxideA 2.5%
B 97%
With COA 2.5%
B 97%
98700-24-4

3-(triphenylplumbyl)-all-trans-1,5,9-cyclododecatriene

A

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

B

tetraphenylplumban

tetraphenylplumban

Conditions
ConditionsYield
With phenyllithium In diethyl ether; benzene at -65℃; for 0.5h;A 85%
B n/a
544-25-2

Cyclohepta-1,3,5-triene

106-99-0

buta-1,3-diene

A

706-31-0

(1E,5E,9Z)-cyclododeca-1,5,9-triene

B

86067-58-5

bicyclo<4.4.1>undeca-2,4,8-triene

C

94400-08-5

7-endo-vinyl-bicyclo<4.2.1>nona-2,4-diene

D

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
diethylaluminium chloride; titanium tetrachloride In benzene at 60℃; for 8h; Further byproducts given;A 5%
B 8%
C 78%
D 5%
diethylaluminium chloride; titanium tetrachloride In benzene at 60℃; for 8h; Further byproducts given;A 7%
B 11%
C 70%
D 6%
diethylaluminium chloride; titanium tetrachloride In benzene at 60℃; for 8h; Further byproducts given;A 16%
B 6%
C 60%
D 15%
diethylaluminium chloride; titanium tetrachloride In benzene at 60℃; for 8h; Further byproducts given;A 18%
B 8%
C 47%
D 7%
...Expand
544-25-2

Cyclohepta-1,3,5-triene

106-99-0

buta-1,3-diene

A

706-31-0

(1E,5E,9Z)-cyclododeca-1,5,9-triene

B

86067-58-5

bicyclo<4.4.1>undeca-2,4,8-triene

C

94400-08-5

7-endo-vinyl-bicyclo<4.2.1>nona-2,4-diene

D

77300-31-3

pentacyclo[7.5.0.0(2,8).0(5,14).0(7,11)]tetradeca-3,12-diene

E

77300-30-2

C14H16

F

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
diethylaluminium chloride; titanium tetrachloride In benzene at 60℃; for 8h; <6+2> cycloadditions with dienes and acetylenes catalyzed by titanium complexes, investigation of the complex of CHT with Ti(II)(AlCl4)2 and (η6-C6H6)Ti(II)(AlCl4)2;A 5%
B 8%
C 78%
D 3%
E 1%
F 5%
...Expand
544-25-2

Cyclohepta-1,3,5-triene

106-99-0

buta-1,3-diene

A

86067-58-5

bicyclo<4.4.1>undeca-2,4,8-triene

7-endo-vinylbicyclo<4.2.1>nona-2,4-diene

pentacyclo[7.5.0.02,8.05,14.07,11]tetradecane-3,12-diene

D

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
diethylaluminium chloride; titanium tetrachloride Further byproducts given;A 8%
B 78%
C 5%
D 5%
...Expand
106-99-0

buta-1,3-diene

A

1552-12-1, 111-78-4

1,5-cis,cis-cyclooctadiene

B

706-31-0

(1E,5E,9Z)-cyclododeca-1,5,9-triene

C

100-40-3

4-ethenylcyclohexene

D

2765-29-9

cis,cis,trans-1,5,9-cyclododecatriene

E

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
With bis(acetylacetonate)nickel(II); diethyl(ethoxy)aluminum at 35℃; Rate constant; other reagents;A n/a
B 6%
C n/a
D 17%
E 74%
...Expand
109-72-8, 29786-93-4

n-butyllithium

14518-36-6

all-trans-3-bromo-1,5,9-cyclododecatriene

A

98700-22-2

3-Butyl-all-trans-1,5,9-cyclododecatrien

B

676-22-2

(1E,5E,9E)-cyclododeca-1,5,9-triene

Conditions
ConditionsYield
In tetrahydrofuran; hexane at -100℃; for 1h;A 65%
B 30%
...Expand
Raw Materials
2765-29-9
14977-61-8
544-25-2
106-99-0
96-10-6
7550-45-0
1552-12-1
97-93-8
Downstream Products
2855-27-8
3194-55-6
830-13-7
1724-39-6
706-31-0
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Chemistry

Molecular Formula: C12H18
Molar mass: 162.2713 g/mol
EINECS: 225-533-8
Density: 0.841 g/cm3
Flash Point:87.8 °C
Index of Refraction: 1.473
Boiling Point: 240 °C at 760 mmHg
Vapour Pressure: 0.0602 mmHg at 25 °C
Melting point: 33-35 °C(lit.)
Storage temp: 2-8 °C
Product categories of trans,trans,trans-1,5,9-Cyclododecatriene (CAS NO.676-22-2): Cyclic;Alkenes;Organic Building Blocks
Structure of trans,trans,trans-1,5,9-Cyclododecatriene (CAS NO.676-22-2):
               
XLogP3-AA: 4.5
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name: (1E,5E,9E)-Cyclododeca-1,5,9-triene
Canonical SMILES: C1CC=CCCC=CCCC=C1
Isomeric SMILES: C1/C=C/CC/C=C/CC/C=C/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/b2-1+,9-7+,10-8+ 
InChIKey: ZOLLIQAKMYWTBR-FFWAUJBHSA-N

Safety Profile

Hazard Codes of trans,trans,trans-1,5,9-Cyclododecatriene (CAS NO.676-22-2): CorrosiveC
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
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.)

Specification

 trans,trans,trans-1,5,9-Cyclododecatriene ,its cas register number is 676-22-2. It also can be called (1E,5E,9E)-Cyclododeca-1,5,9-triene ; (E,E,E)-1,5,9-Cyclododecatriene ; 1,5,9-Cyclododecatriene ; 1,5,9-Cyclododecatriene, (1E,5E,9E)- ; 1,5,9-Cyclododecatriene, (E,E,E)- and (1E,5E,9E)-1,5,9-Cyclododecatriene .