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CAS No.: | 676-22-2 |
---|---|
Name: | TRANS,TRANS,TRANS-1,5,9-CYCLODODECATRIENE |
Article Data: | 68 |
Molecular Structure: | |
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: | C |
Risk Codes: | R34 |
Safety: | S26-36/37/39-45 |
Transport Information: | UN 2518 6 |
PSA: | 0.00000 |
LogP: | 4.00920 |
3-(triphenylstannyl)-all-trans-1,5,9-cyclododecatriene
A
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
With phenyllithium In diethyl ether; benzene for 1h; Ambient temperature; | A 99% B n/a |
cis-,cis-,cis-C12H18Ni
A
(Z,Z,Z)-1,5,9-cyclododecatriene
B
cis,cis,trans-1,5,9-cyclododecatriene
C
tetracarbonyl nickel
D
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
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% |
trans-,trans-,cis-C12H18NiP(C6H11-cyclo)3
A
(1E,5E,9Z)-cyclododeca-1,5,9-triene
B
cis,cis,trans-1,5,9-cyclododecatriene
C
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
With carbon monoxide | A 97.8% B 0.3% C 0.2% |
With CO | A 97.8% B 0.3% C 0.2% |
Conditions | Yield |
---|---|
With carbon monoxide | A 2.5% B 97% |
With CO | A 2.5% B 97% |
3-(triphenylplumbyl)-all-trans-1,5,9-cyclododecatriene
A
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
With phenyllithium In diethyl ether; benzene at -65℃; for 0.5h; | A 85% B n/a |
Cyclohepta-1,3,5-triene
buta-1,3-diene
A
(1E,5E,9Z)-cyclododeca-1,5,9-triene
B
bicyclo<4.4.1>undeca-2,4,8-triene
C
7-endo-vinyl-bicyclo<4.2.1>nona-2,4-diene
D
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
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% |
Cyclohepta-1,3,5-triene
buta-1,3-diene
A
(1E,5E,9Z)-cyclododeca-1,5,9-triene
B
bicyclo<4.4.1>undeca-2,4,8-triene
C
7-endo-vinyl-bicyclo<4.2.1>nona-2,4-diene
D
pentacyclo[7.5.0.0(2,8).0(5,14).0(7,11)]tetradeca-3,12-diene
E
C14H16
F
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
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% |
Cyclohepta-1,3,5-triene
buta-1,3-diene
A
bicyclo<4.4.1>undeca-2,4,8-triene
D
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
diethylaluminium chloride; titanium tetrachloride Further byproducts given; | A 8% B 78% C 5% D 5% |
buta-1,3-diene
A
1,5-cis,cis-cyclooctadiene
B
(1E,5E,9Z)-cyclododeca-1,5,9-triene
C
4-ethenylcyclohexene
D
cis,cis,trans-1,5,9-cyclododecatriene
E
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
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% |
n-butyllithium
all-trans-3-bromo-1,5,9-cyclododecatriene
A
3-Butyl-all-trans-1,5,9-cyclododecatrien
B
(1E,5E,9E)-cyclododeca-1,5,9-triene
Conditions | Yield |
---|---|
In tetrahydrofuran; hexane at -100℃; for 1h; | A 65% B 30% |
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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
Hazard Codes of trans,trans,trans-1,5,9-Cyclododecatriene (CAS NO.676-22-2): C
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.)
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 .