n-butylbenzene

Synonyms: "butylbenzene", "1-phenylbutane", "1-butylbenzene", "butyl-benzene"

Source: n-butylbenzene is used as an intermediate in organic synthesis.

Identifiers:

IUPAC Name: butylbenzene
CAS Number: 104-51-8
PubChem ID: 7705
InChiKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
Canonical SMILES: CCCCC1=CC=CC=C1

Structural Properties:

Molecular Formula: C10H14
Molecular Weight: 134,2182

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 10

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Jobling S, Reynolds T, White R, Parker MG, Sumpter JP. 1995. A variety of environmentally persistent chemicals, including some phthalate plasticizers, are weakly estrogenic. Environ Health Perspect 103(6):582-587.

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