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Ethylbenzene-[13C6]

General Information
Catalog: BLP-000557
CAS: 1403579-63-4
Molecular Formula: C2[13C]6H10
Molecular Weight: 112.12
Chemical Structure
Ethylbenzene-[13C6]
Description Ethylbenzene-[13C6] is the labelled analogue of Ethylbenzene. Ethylbenzene belongs to the class of organic compounds known as benzene and substituted derivatives. It is found in natural products such as coal tar and petroleum and is also found in manufactured products such as inks, insecticides, and paints. Ethylbenzene is used primarily to make another chemical, styrene. Other uses include as a solvent, in fuels, and to make other chemicals.
Synonyms Ethylbenzene-(phenyl-13C6); 1-Ethyl-benzene-1,2,3,4,5,6-13C6
IUPAC Name ethyl(1,2,3,4,5,6-13C6)cyclohexatriene
Related CAS 100-41-4 (unlabelled)
Canonical SMILES CCC1=CC=CC=C1
InChI InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i3+1,4+1,5+1,6+1,7+1,8+1
InChI Key YNQLUTRBYVCPMQ-LSYAIDEBSA-N
Boiling Point 136 °C
Melting Point -95 °C
Purity 99% (CP); 99% atom 13C
Density 0.915 g/mL at 25 °C

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