4-n-propylphenol

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

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

Identifiers:

IUPAC Name: 4-propylphenol
CAS Number: 645-56-7
PubChem ID: 12580
InChiKey: KLSLBUSXWBJMEC-UHFFFAOYSA-N
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

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