111-78-4

Name 1,5-Cyclooctadiene
CAS 111-78-4
EINECS(EC#) 203-907-1
Molecular Formula C8H12
MDL Number MFCD00001752
Molecular Weight 108.18
MOL File 111-78-4.mol
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Chemical Properties

Appearance colourless liquid
Melting point  -69 °C (lit.)
Boiling point  149-150 °C (lit.)
density  0.882 g/mL at 25 °C(lit.)
vapor pressure  25.8 mm Hg ( 37.7 °C)
refractive index  n20/D 1.493
Fp  89 °F
storage temp.  2-8°C
solubility  soluble in Chloroform
form  Liquid
color  Clear colorless
Stability: Stable. Flammable.
Odor Threshold 0.00084ppm
Water Solubility  780 mg/L (20 ºC)
BRN  2036542
Henry's Law Constant 3.8×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI 1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-
InChIKey VYXHVRARDIDEHS-QGTKBVGQSA-N
SMILES C1CC=CCCC=C1
LogP 3.16 at 20℃
CAS DataBase Reference 111-78-4(CAS DataBase Reference)
NIST Chemistry Reference 1,5-Cyclooctadiene(111-78-4)
EPA Substance Registry System 111-78-4(EPA Substance)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H226-H302+H332-H304-H410
Precautionary statements  P210-P233-P273-P301+P310-P304+P340+P312-P331
Hazard Codes  Xn,N,Xi
Risk Statements 
R10:Flammable.
R36/38:Irritating to eyes and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R65:Harmful: May cause lung damage if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R19:May form explosive peroxides.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 2520 3/PG 3
WGK Germany  3
RTECS  GX9620000
F  10-23
Autoignition Temperature 431 °F
TSCA  TSCA listed
REACH Registrations Active
HazardClass  3.2
PackingGroup  III
HS Code  29021990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 3
Hazardous Substances Data 111-78-4(Hazardous Substances Data)

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