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> Main
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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Jmol._Canvas2D (JSmol) "jmolApplet0"
[x]
call loadScript javascripts\jsmol\core\package.js
call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode
call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js
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Wikipedia
License
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.
Read full article at Wikipedia
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