Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H5O.H4N |
| Molecular Weight | 111.1418 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[NH4+].[O-]C1=CC=CC=C1
InChI
InChIKey=XABJJJZIQNZSIM-UHFFFAOYSA-N
InChI=1S/C6H6O.H3N/c7-6-4-2-1-3-5-6;/h1-5,7H;1H3
| Molecular Formula | H3N |
| Molecular Weight | 17.0305 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H6O |
| Molecular Weight | 94.1112 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: https://echa.europa.eu/substance-information/-/substanceinfo/100.025.245http://onlinelibrary.wiley.com/doi/10.1002/14356007.a19_299.pub2/fullCurator's Comment: description was created based on several sources, including
https://www.drugbank.ca/drugs/DB03255
Sources: https://echa.europa.eu/substance-information/-/substanceinfo/100.025.245http://onlinelibrary.wiley.com/doi/10.1002/14356007.a19_299.pub2/full
Curator's Comment: description was created based on several sources, including
https://www.drugbank.ca/drugs/DB03255
Phenol is an industrially important organic compound, produced on a large scale and used as a precursor to many materials and useful compounds. Phenol and its vapors are corrosive to the eyes, the skin, and the respiratory tract. The corrosive effect on skin and mucous membranes is due to a protein-degenerating effect. In medicine, phenol is used as an antiseptic and disinfectant. Phenol is also used as an oral analgesic or anesthetic in products such as Chloraseptic to treat sore throat pain, sore mouth, pain associated with canker sores and minor mouth irritation. Additionally, phenol and its related compounds are used in surgical ingrown toenail treatment, a process termed phenolization.
CNS Activity
Sources: http://www.msdvetmanual.com/pharmacology/antiseptics-and-disinfectants/phenols-and-related-compounds
Curator's Comment: Oral ingestion or extensive application to skin can cause systemic toxicity, manifested primarily by CNS and cardiovascular effects; death may result.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Carboxylation of phenylphosphate by phenol carboxylase, an enzyme system of anaerobic phenol metabolism. | 1992 Jun |
|
| Decomposition of hazardous organic materials in the solidification/stabilization process using catalytic-activated carbon. | 2001 |
|
| Polymorphisms in the Mn-SOD and EC-SOD genes and their relationship to diabetic neuropathy in type 1 diabetes mellitus. | 2001 |
|
| Research of quality indices for cold-smoked salmon using a stepwise multiple regression of microbiological counts and physico-chemical parameters. | 2001 Apr |
|
| A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. | 2001 Apr 13 |
|
| Ketene reactions with the aminoxyl radical tempo: preparative, kinetic, and theoretical studies. | 2001 Apr 20 |
|
| Acid dissociation constant, a potential physicochemical factor in the inhibition of the enzyme estrone sulfatase (ES). | 2001 Apr 9 |
|
| Flavonoids as peroxynitrite scavengers: the role of the hydroxyl groups. | 2001 Feb |
|
| Heavy metal removal with Mexican clinoptilolite: multi-component ionic exchange. | 2001 Feb |
|
| Optimised sample DNA preparation for detection of Chlamydia trachomatis in synovial tissue by polymerase chain reaction and ligase chain reaction. | 2001 Feb |
|
| Peroxidative metabolism of apigenin and naringenin versus luteolin and quercetin: glutathione oxidation and conjugation. | 2001 Feb 15 |
|
| Structure-activity studies of substituted quinoxalinones as multiple-drug-resistance antagonists. | 2001 Feb 15 |
|
| Temperature dependence of DCDD/F isomer distributions from chlorophenol precursors. | 2001 Feb-Mar |
|
| An experimental and numerical study of the thermal oxidation of chlorobenzene. | 2001 Feb-Mar |
|
| Experimental and computational mapping of the binding surface of a crystalline protein. | 2001 Jan |
|
| A new surgical therapeutic approach to pincer nail deformity. | 2001 Jan |
|
| Triarylpyrazoles with basic side chains: development of pyrazole-based estrogen receptor antagonists. | 2001 Jan |
|
| Studies of the chemical selectivity of hapten, reactivity, and skin sensitization potency. 1. Synthesis and studies on the reactivity toward model nucleophiles of the (13)C-labeled skin sensitizers hex-1-ene- and hexane-1,3-sultones. | 2001 Jan |
|
| Determination of mycophenolic acid and mycophenolate mofetil by high-performance liquid chromatography using postcolumn derivatization. | 2001 Jan 1 |
|
| An enzymic 'latch' on a global carbon store. | 2001 Jan 11 |
|
| Mono- and dinuclear zinc complexes derived from unsymmetric binucleating ligands: synthesis, characterization, and formation of tetranuclear arrays. | 2001 Jan 15 |
|
| Quinoprotein glucose dehydrogenase modified thick-film electrodes for the amperometric detection of phenolic compounds in flow injection analysis. | 2001 Jan 2 |
|
| Quantification of derivatives of bisphenol A diglycidyl ether (BADGE) and novolac glycidyl ether (NOGE) migrated from can coatings into tuna by HPLC/fluorescence and MS detection. | 2001 Jan 2 |
|
| Two-week (ten-day) inhalation toxicity and two-week recovery study of phenol vapor in the rat. | 2001 Jan-Feb |
|
| Recurrence of curetted and bone-grafted giant-cell tumours with and without adjuvant phenol therapy. | 2001 Mar |
|
| Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. | 2001 Mar |
|
| Enhanced biodegradation of petrochemical wastewater using ozonation and BAC advanced treatment system. | 2001 Mar |
|
| Determination of tartaric acid in wines by FIA with tubular tartrate-selective electrodes. | 2001 Mar 1 |
|
| Microionization constants: novel approach for the determination of the zwitterionic equilibrium of hydroxyphenylalkylamines by photometric titration. | 2001 Mar 14 |
|
| Simultaneous quantification of neutral and acidic pharmaceuticals and pesticides at the low-ng/l level in surface and waste water. | 2001 Mar 16 |
|
| Phenol derivatives accelerate inactivation kinetics in one inactivation-deficient mutant human skeletal muscle Na(+) channel. | 2001 Mar 23 |
|
| Density functional study of tetraphenolate and calix[4]arene complexes of early transition metals. | 2001 Mar 26 |
|
| A new phenoxyacetate-based linker system for the solid-phase synthesis of oligosaccharides. | 2001 Mar 8 |
|
| Photo-Fries rearrangements of phenyl phenylacylates in polyethylene films: comparison of reactivity and selectivity with 1-naphthyl phenylacylates. | 2001 Mar 9 |
|
| Electrochemical and ferromagnetic couplings in 4,4',4' '-(1,3,5-benzenetriyl)tris(phenoxyl) radical formation. | 2001 Mar 9 |
|
| NMR investigation of exchange dynamics and binding of phenol and phenolate in DODAC vesicular dispersions. | 2012 Aug 2 |
Patents
Sample Use Guides
In Vitro Use Guide
Curator's Comment: The interaction between phenol molecules, both in their undissociated and dissociated states, and cationic dioctadecyl dimethylammonium chloride (DODAC) vesicles were thoroughly investigated using NMR techniques. In particular, diffusion and relaxation measurements, combined with the two sites Kärger model, were used to evaluate the exchange dynamics and the binding of the aromatic molecules to the vesicles. The results reveal that, besides concentration and vesicle preparation method, pH conditions have the biggest impact on the phenol sorption behavior. Although the dissociated form of phenol formed at high pH is more hydrophilic, the results indicated that phenol-DODAC interactions were largely favored in basic conditions as a consequence of the strong electrostatic interaction between the phenolate anions and the cationic surfactant headgroup.
Unknown
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 03:58:59 GMT 2023
by
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| Record UNII |
4O42PIY058
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| Record Status |
Validated (UNII)
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