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2446-69-7 | 4-Hexylphenol
CAS No: 2446-69-7 Catalog No: AG003LUA MDL No:MFCD00051313
Product Description
Catalog Number:
AG003LUA
Chemical Name:
4-Hexylphenol
CAS Number:
2446-69-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD00051313
IUPAC Name:
4-hexylphenol
InChI:
InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3
InChI Key:
SZWBRVPZWJYIHI-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)O
EC Number:
219-501-2
UNII:
3V1KE0N8D5
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| 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 |
| Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1. | Biodegradation 20100401 |
| 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 |
| 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 |
| [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 |
| Light-sensitive microemulsions. | Langmuir : the ACS journal of surfaces and colloids 20040217 |
| Analysis of selected pesticides and alkylphenols in human cord blood by gas chromatograph-mass spectrometer. | Talanta 20031104 |
| Glucuronidation and excretion of nonylphenol in perfused rat liver. | Drug metabolism and disposition: the biological fate of chemicals 20030801 |
| Degradation of 4-amylphenol and 4-hexylphenol by a new activated sludge isolate of Pseudomonas veronii and proposal for a new subspecies status. | Research in microbiology 20030101 |
| 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 |
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