Home Other Building Blocks 4-Heptylphenol

4-Heptylphenol

CAS No.:
1987-50-4
Catalog Number:
AG002BPP
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$77
- +
5g
>98.0%(GC)
1 week
United States
$166
- +
25g
>98.0%(GC)
1 week
United States
$395
- +
Product Description
Catalog Number:
AG002BPP
Chemical Name:
4-Heptylphenol
CAS Number:
1987-50-4
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD00041751
IUPAC Name:
4-heptylphenol
InChI:
InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
InChI Key:
KNDDEFBFJLKPFE-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)O
UNII:
I743Z35DVB
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Phytopathogenic fungal inhibitors from celery seeds. Natural product communications 20120701
Low-dose exposure to alkylphenols adversely affects the sexual development of Atlantic cod (Gadus morhua): acceleration of the onset of puberty and delayed seasonal gonad development in mature female cod. Aquatic toxicology (Amsterdam, Netherlands) 20110901
Endocrine modulation in Atlantic cod (Gadus morhua L.) exposed to alkylphenols, polyaromatic hydrocarbons, produced water, and dispersed oil. Journal of toxicology and environmental health. Part A 20110101
Various aspects of piscine toxicology. Interdisciplinary toxicology 20100901
Uptake and tissue distribution of C4-C7 alkylphenols in Atlantic cod (Gadus morhua): relevance for biomonitoring of produced water discharges from oil production. Marine pollution bulletin 20090101
Characterization of alkylphenol metabolites in fish bile by enzymatic treatment and HPLC-fluorescence analysis. Chemosphere 20080401
Monitoring of environmental phenolic endocrine disrupting compounds in treatment effluents and river waters, Korea. Talanta 20071015
Effects of alkylphenols on glycerophospholipids and cholesterol in liver and brain from female Atlantic cod (Gadus morhua). Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20070401
Effects of alkylphenols on the reproductive system of Atlantic cod (Gadus morhua). Aquatic toxicology (Amsterdam, Netherlands) 20070227
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Expression profiling of estrogen-responsive genes in breast cancer cells treated with alkylphenols, chlorinated phenols, parabens, or bis- and benzoylphenols for evaluation of estrogenic activity. Toxicology letters 20060525
Analysis of 4-nonylphenols, phthalates, and polychlorinated biphenyls in soils and biosolids. Chemosphere 20051201
[Estimation of daily intake of phenols in hospital meal samples]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20041201
Effects of alkylphenols on redox status in first spawning Atlantic cod (Gadus morhua). Aquatic toxicology (Amsterdam, Netherlands) 20040730
Effects of alkylphenols on CYP1A and CYP3A expression in first spawning Atlantic cod (Gadus morhua). Aquatic toxicology (Amsterdam, Netherlands) 20040512
Analysis of selected pesticides and alkylphenols in human cord blood by gas chromatograph-mass spectrometer. Talanta 20031104
Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling. Journal of medicinal chemistry 20021205
Determination of phenolic xenoestrogens in water by liquid chromatography with coulometric-array detection. Journal of chromatography. A 20020208
Column silylation method for determining endocrine disruptors from environmental water samples by solid phase micro-extraction. Talanta 20010706
Alkylphenolic compounds and their effect on the injury rate, survival and acetylcholinesterase activity of the rat neuronal cell line PC12. Cytotechnology 20010701
Properties