ChemicalBook--->CAS DataBase List--->3806-59-5

3806-59-5

3806-59-5 Structure

3806-59-5 Structure
IdentificationMore
[Name]

1,3-CYCLOOCTADIENE
[CAS]

3806-59-5
[Synonyms]

1,3-CYCLOOCTADIENE
CIS, CIS-1,3-CYCLOOCTADIENE
CYCLOOCTADIENE-1,3
1,3-Cyclooctadiene, (Z,Z)-
CIS CIS-1 3-CYCLOOCTADIENE 95%
(1Z,3Z)-1,3-Cyclooctadiene
1,3-COD
[EINECS(EC#)]

216-929-1
[Molecular Formula]

C8H12
[MDL Number]

MFCD00001751
[Molecular Weight]

108.18
[MOL File]

3806-59-5.mol
Chemical PropertiesBack Directory
[Melting point ]

−53-−51 °C(lit.)
[Boiling point ]

55 °C34 mm Hg(lit.)
[density ]

0.873 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.494
[Fp ]

76 °F
[storage temp. ]

2-8°C
[form ]

liquid
[BRN ]

1901033
[InChI]

1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
[InChIKey]

RRKODOZNUZCUBN-CCAGOZQPSA-N
[SMILES]

C1CCC=CC=CC1
[CAS DataBase Reference]

3806-59-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
R36/38:Irritating to eyes and skin .
R65:Harmful: May cause lung damage if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2520 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

1,3-Cyclooctadiene is a reagent used in the synthesis of catalytically active membranelike devices.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 83, p. 2954, 1961 DOI: 10.1021/ja01474a039
[General Description]

The photosensitized cyclization of cis,cis-1,3-cyclooctadiene to bicyclo[4.2.0]oct-7-ene was studied. It proceeded by first isomerization of the diene to its cis, trans isomer followed by cyclization.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-CYCLOOCTADIENE(3806-59-5)1HNMR
1,3-CYCLOOCTADIENE(3806-59-5)IR
1,3-CYCLOOCTADIENE(3806-59-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

3806-59-5(sigmaaldrich)
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