4-dodecylphenol

Synonyms: "p-dodecylphenol", "4-n-dodecylphenol"

Source: 4-dodecylphenol is used in surfactants, phenolic resins, and is a lube oil additive intermediate.

Identifiers:

IUPAC Name: 4-dodecylphenol
CAS Number: 104-43-8
PubChem ID: 66030
InChiKey: KJWMCPYEODZESQ-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C18H30O
Molecular Weight: 262,4302

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231.
Wetzel CH, Hermann B, Behl C, Pestel E, Rammes G, Zieglgansberger W, Holsboer F, Rupprecht R. 1998. Functional antagonism of gonadal steroids at the 5-hydroxytryptamine type 3 receptor. Mol Endocrinol 12(9):1441-1451.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer