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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
{1H,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclopenta[12]annulen-2-yl}methane

Inventory

CAS number:
1689576-41-7
Synonyms
Names:
Identifier:
IUPAC name
Reaction product of cyclododecanone and methyl allylchloride after cyclisation
Identifier:
other: Molecular formula
Cannot be provided, since UVCB, see information on consituents.
Identifier:
other: SMILES notation
Cannot be provided, since UVCB, see information on consituents.
Cyclisation products from pyrolysis of 2-(2-methylprop-2-en-1-yl)cyclododecanone

Molecular and structural information

Molecular formula:
C16H26
Molecular weight:
ca. 218.28
SMILES notation:
CC(C1)=CC2=C1CCCCCCCCCC2
CC1C/C2=C/CCCCCCCCCC2=C1
CC1=CC2CCCCCCCCC/C=C2\C1
CC(C1)CC2=C1CCCCCCCC/C=C/2
CC1=CC2/C(C1)=C\CCCCCCCCC2
CC1=C/C2=C/CCCCCCCCCC2C1
InChl:
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h12H,2-11,13H2,1H3
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h10,13-14H,2-9,11-12H2,1H3/b15-10-
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h10,13,16H,2-9,11-12H2,1H3/b15-10+
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h8,10,14H,2-7,9,11-13H2,1H3/b10-8+
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h10,13,16H,2-9,11-12H2,1H3/b15-10-
InChI=1S/C16H26/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h10,12,16H,2-9,11,13H2,1H3/b15-10-
Structural formula:
Chemical structure

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