CHEBI:35097 - sec-butylbenzene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name sec-butylbenzene ChEBI ID CHEBI:35097 ChEBI ASCII Name sec-butylbenzene Definition An alkylbenzene that is benzene substituted by a butan-2-yl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB8462312, ChemicalBook:CB4146768, eMolecules:487457 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H14 Net Charge 0 Average Mass 134.21816 Monoisotopic Mass 134.10955 InChI InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 InChIKey ZJMWRROPUADPEA-UHFFFAOYSA-N SMILES CCC(C)c1ccccc1 ChEBI Ontology Outgoing sec-butylbenzene (CHEBI:35097) is a alkylbenzene (CHEBI:38976) Incoming (R)-sec-butylbenzene (CHEBI:39013) is a sec-butylbenzene (CHEBI:35097) (S)-sec-butylbenzene (CHEBI:39014) is a sec-butylbenzene (CHEBI:35097) IUPAC Name sec-butylbenzene Synonyms Sources (1-Methylpropyl)benzene KEGG COMPOUND 2-Phenylbutane KEGG COMPOUND s-butylbenzene NIST Chemistry WebBook sec-Butylbenzene KEGG COMPOUND secondary butylbenzene ChemIDplus Manual Xrefs Databases C14142 KEGG COMPOUND US2010317896 Patent US2011152577 Patent View more database links Registry Numbers Types Sources 135-98-8 CAS Registry Number NIST Chemistry WebBook 135-98-8 CAS Registry Number ChemIDplus 1903902 Reaxys Registry Number Reaxys 261109 Gmelin Registry Number Gmelin Citation Type Source 5073722 PubMed citation Europe PMC Last Modified 16 July 2015