CAS 21635-90-5 Tetracyclododecene (HCID 136844)

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Basic information

CAS: 21635-90-5
Standard SMILES: C1=CC2CC1C1C3CCC(C3)C21
InChIKey: XBFJAVXCNXDMBH-UHFFFAOYSA-N
Molecular formula: C12H16
Average molar mass: 160.25 g/mol

Names & identifiers

Preferred name: Tetracyclododecene
IUPAC: tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
English name: 1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene
Molecular formula: C12H16
Molecular weight: 160.26

Names & synonyms

21635-90-5Tetracyclododecene1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-6P28QOJ4FLdimethanooctahydronaphthaleneRefChem:8968451.4:5.8-dimethano-1,2,3,4,4a,5,8,8a-octahydronaphthaleneTETRACYCLO(4.4.0.12,5.17,10)-3-DODECENE1,4:5,8-DIMETHANONAPHTHALENE, 1,2,3,4,4A,5,8,8A-OCTAHYDRO-tetracyclo[6.2.1.13,6.02,7]dodec-4-eneTetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-ene36012-52-9

Show more names

TETRACYCLO[6.2.1.13'6.02'7]DODECA-4-ENETETRACYCLO[6.2.1.13,6.02,7]DODECA-4-ENETetracyclo[6.2.1.13,6.02,7]dodeca-9-eneTETRACYCLO(6.2.1(1.8).1(3.6).0(2.7))DODECA-4-ENETCD monomer [Tetracyclo[6.2.1.13,6.02,7]dodec-4-ene]1,4,4a,5,6,7,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene

MFCD00213460Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-9-eneUNII-6P28QOJ4FLtetracyclo[6.2.1.1?,?.0?,?]dodec-4-eneSCHEMBL145668AKOS0252949171,4:5,8-Dimethanonaphthalene, (1 alpha,4 alpha,4a beta,5 alpha,8 alpha,8a beta) 1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-

Database identifiers

CAS: 21635-90-5、36012-52-9
PubChem CID: 136844
EC Number: 677-572-9
Nikkaji: J134.954F

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 229

Experimental & physicochemical properties

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physicochemical properties

Boiling point: 93 °C · 93°C
Density: 1 · 1,02 g/cm3
refractive index: 1.523 · 1.5230-1.5260
Flash point: 85 · 85 ºC
form: clear liquid
color: Colorless to Almost colorless
InChI: InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2
InChIKey: XBFJAVXCNXDMBH-UHFFFAOYSA-N
SMILES: C12CC(C3C1C1CC3C=C1)CC2
FDA UNII: 6 P28QOJ4FL · 6P28QOJ4FL
NIST Chemistry Reference: 1 · 1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-(21635-90-5)
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 2929
hs_code: 2902.19.0050
risk_code: 10-23/24/25
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 16-36/37/39
Hazard statements: H227-H302+H312+H332
Precautionary statements: P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501

Chemistry & industry

Applications

UsesTetracyclododecene is a reagent used for the synthesis of cyclic olefin copolymers. It is also used for adding cis reagents to the dimethanonaphthalene ring system.