4-Hexylphenol - CAS 2446-69-7
Catalog: |
BB018493 |
Product Name: |
4-Hexylphenol |
CAS: |
2446-69-7 |
Synonyms: |
4-hexylphenol |
IUPAC Name: | 4-hexylphenol |
Description: | 4-Hexylphenol (CAS# 2446-69-7) is a useful research chemical. |
Molecular Weight: | 178.27 |
Molecular Formula: | C12H18O |
Canonical SMILES: | CCCCCCC1=CC=C(C=C1)O |
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 |
Boiling Point: | 281.2 °C at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 0.954 g/cm3 |
LogP: | 3.51500 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21722617 | 20110901 | 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) |
21419418 | 20110601 | Molecular selective photocatalysis by TiO2/nanoporous silica core/shell particulates | Journal of colloid and interface science |
19705287 | 20100401 | Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1 | Biodegradation |
18945454 | 20090101 | 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 |
18255120 | 20080401 | Characterization of alkylphenol metabolites in fish bile by enzymatic treatment and HPLC-fluorescence analysis | Chemosphere |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.135765193 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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