Synonyms: "4-propylphenol", "p-propylphenol", "dihydrochavicol", "4-propyl-phenol", "dihydrochavicol"

Source: 4-n-propylphenol is a flavouring ingredient.


IUPAC Name: 4-propylphenol
CAS Number: 645-56-7
PubChem ID: 12580
Canonical SMILES: CCCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C9H12O
Molecular Weight: 136,191

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 10


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.
Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.

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