CHEBI:16101 - ethylbenzene

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ChEBI Name ethylbenzene
ChEBI ID CHEBI:16101
Definition An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45136, CHEBI:4898, CHEBI:14229, CHEBI:23999
Supplier Information ChemicalBook:CB4672779, eMolecules:475202, ZINC000000968270
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Ethylbenzene is an organic compound with the formula C6H5CH2CH3. It is a highly flammable, colorless liquid with an odor similar to that of gasoline. This monocyclic aromatic hydrocarbon is important in the petrochemical industry as a reaction intermediate in the production of styrene, the precursor to polystyrene, a common plastic material. In 2012, more than 99% of ethylbenzene produced was consumed in the production of styrene.
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Formula C8H10
Net Charge 0
Average Mass 106.16500
Monoisotopic Mass 106.07825
InChI InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES CCc1ccccc1
ChEBI Ontology
Outgoing ethylbenzene (CHEBI:16101) is a alkylbenzene (CHEBI:38976)
IUPAC Name
ethylbenzene
Synonyms Sources
α-methyltoluene NIST Chemistry WebBook
Äthylbenzol ChEBI
Ethylbenzene KEGG COMPOUND
ethylbenzene UniProt
Ethylbenzol KEGG COMPOUND
Ethylenzene KEGG COMPOUND
Phenylethane KEGG COMPOUND
PHENYLETHANE PDBeChem
Manual Xrefs Databases
c0116 UM-BBD
C07111 KEGG COMPOUND
DB01722 DrugBank
Ethylbenzene Wikipedia
ETHYLBENZENE MetaCyc
HMDB0059905 HMDB
View more database links
Registry Numbers Types Sources
100-41-4 CAS Registry Number NIST Chemistry WebBook
1901871 Reaxys Registry Number Reaxys
2990 Gmelin Registry Number Gmelin
Last Modified
13 November 2017