CAS No.706-31-0,TRANS,TRANS,CIS-1,5,9-CYCLODODECATRIENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	706-31-0
Name:	TRANS,TRANS,CIS-1,5,9-CYCLODODECATRIENE
Article Data:	70

Formula:	C₁₂H₁₈
Molecular Weight:	162.275
Synonyms:	1,5,9-Cyclododecatriene,(E,E,Z)- (8CI);(E,E,Z)-1,5,9-Cyclododecatriene;trans,trans,cis-1,5,9-Cyclododecatriene;
EINECS:	211-893-3
Density:	0.89 g/mL at 25 °C(lit.)
Melting Point:	-18 °C(lit.)
Boiling Point:	240 °C at 760 mmHg
Flash Point:	87.8 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xn，N
Risk Codes:	20-51/53
Safety:	61
Transport Information:	UN 2518 6.1/PG 3
PSA:	0.00000
LogP:	4.00920

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Specification

The CAS register number of 1,5,9-Cyclododecatriene,(1E,5E,9Z)- is 706-31-0. It also can be called as trans,trans,cis-1,5,9-Cyclododecatriene and the systematic name about this chemical is (1E,9E)-cyclododeca-1,5,9-triene. The molecular formula about this chemical is C₁₂H₁₈ and the molecular weight is 162.27. It belongs to the following product categories which include Alkenes; Cyclic; Organic Building Blocks and so on.

Physical properties about 1,5,9-Cyclododecatriene,(1E,5E,9Z)- are: (1)ACD/LogP: 5.50; (2)ACD/LogD (pH 5.5): 5.5; (3)ACD/LogD (pH 7.4): 5.5; (4)ACD/BCF (pH 5.5): 8912.5; (5)ACD/BCF (pH 7.4): 8912.5; (6)ACD/KOC (pH 5.5): 23388.34; (7)ACD/KOC (pH 7.4): 23388.34; (8)Index of Refraction: 1.473; (9)Molar Refractivity: 54.15 cm³; (10)Molar Volume: 192.7 cm³; (11)Polarizability: 21.46x10^-24cm³; (12)Surface Tension: 30.9 dyne/cm; (13)Density: 0.841 g/cm³; (14)Flash Point: 87.8 °C; (15)Enthalpy of Vaporization: 45.76 kJ/mol; (16)Boiling Point: 240 °C at 760 mmHg; (17)Vapour Pressure: 0.0602 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and toxic to aquatic organisms. It may cause long-term adverse effects in the aquatic environment and damage to health. It may present an immediate or delayed danger to one or more components of the environment. If you want to use this chemical, refer to special instructions and safety data sheets. When you are using it, avoid release to the environment. It is hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the surroundings. You should keep it in dry protection gas and the container tightly sealed in dry, cool places in room temperature and avoid contact with oxide.

You can still convert the following datas into molecular structure:
(1)SMILES: C\1C\C=C/CC\C=C\CC\C=C/1
(2)InChI: InChI=1/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?
(3)InChIKey: ZOLLIQAKMYWTBR-MBKAWSJDBN
(4)Std. 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?
(5)Std. InChIKey: ZOLLIQAKMYWTBR-MBKAWSJDSA-N