706-31-0

Name TRANS,TRANS,CIS-1,5,9-CYCLODODECATRIENE
CAS 706-31-0
EINECS(EC#) 211-893-3
Molecular Formula C12H18
MDL Number MFCD00063609
Molecular Weight 162.27
MOL File 706-31-0.mol
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Chemical Properties

Melting point  −18 °C(lit.)
Boiling point  231 °C(lit.)
density  0.89 g/mL at 25 °C(lit.)
refractive index  n20/D 1.507(lit.)
Fp  190 °F
storage temp.  2-8°C
Water Solubility  Insoluble in water.
BRN  1362442
Henry's Law Constant 1.8×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Dielectric constant 2.4100000000000001
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-RYMQXAEESA-N
SMILES C1C\C=C\CC\C=C\CCC=C1
CAS DataBase Reference 706-31-0(CAS DataBase Reference)
EPA Substance Registry System 1,5,9-Cyclododecatriene, (1E,5E,9Z)- (706-31-0)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
R20:Harmful by inhalation.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2518 6.1/PG 3
WGK Germany  2
RTECS  GU2310000
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  2902199090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Inhalation
Aquatic Chronic 2

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