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: 134.218

Pharmacophore Features:

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

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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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.