2,4,6-Trimethylphenol
(Synonyms: 2,4,6-三甲基苯酚) 目录号 : GC61725
2,4,6-Trimethylphenol是一种主要与有机物(3DOM*)反应的探针化合物。2,4,6-Trimethylphenol在水溶液中被单线态氧快速氧化。
Cas No.:527-60-6
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
Peroxidatic substrates, catechol (CAT) and 2,4,6-trimethylphenol (TMP) were used as probes of thechloride dependent reactions catalyzed by chloroperoxidase (CPO). TMP is consumed only in the presence of chloride. TMP is a competitive inhibitor versus CAT, but CAT is a noncompetitive inhibitor versus TMP in chloride-dependent CPO-catalyzed peroxidation reactions. The ratio of TMP versus CAT consumed by the chloride-dependent CPO reaction in direct competition studies increases as the chloride concentration is increased from 1.0 to 400 mM[3].
[1]. Rosado-Lausell SL, et al. Roles of singlet oxygen and triplet excited state of dissolved organic matter formed by different organic matters in bacteriophage MS2 inactivation. Water Res. 2013;47(14):4869-4879. [2]. Paul G.Tratnyek, et al. Photo-oxidation of 2,4,6-trimethylphenol in aqueous laboratory solutions and natural waters: kinetics of reaction with singlet oxygen. Journal of Photochemistry and Photobiology A: Chemistry. Volume 84, Issue 2, 6 December 1994, Pages 153-160. [3]. Libby RD, et al. Defining the involvement of HOCl or Cl2 as enzyme-generated intermediates in chloroperoxidase-catalyzed reactions. J Biol Chem. 1992;267(3):1769-1775.
| Cas No. | 527-60-6 | SDF | |
| 别名 | 2,4,6-三甲基苯酚 | ||
| Canonical SMILES | OC1=C(C)C=C(C)C=C1C | ||
| 分子式 | C9H12O | 分子量 | 136.19 |
| 溶解度 | DMSO : 100 mg/mL (734.27 mM; Need ultrasonic) | 储存条件 | 4°C, stored under nitrogen |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 7.3427 mL | 36.7134 mL | 73.4268 mL |
| 5 mM | 1.4685 mL | 7.3427 mL | 14.6854 mL |
| 10 mM | 0.7343 mL | 3.6713 mL | 7.3427 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Inhibition of humic substances mediated photooxygenation of furfuryl alcohol by 2,4,6-Trimethylphenol. Evidence for reactivity of the phenol with humic triplet excited states
Environ Sci Technol 2007 Sep 1;41(17):6066-73.PMID:17937283DOI:10.1021/es070656t.
To probe the reactivity of 2,4,6-Trimethylphenol with humic triplet excited states, we investigated its influence on the humic substances-mediated photooxygenation offurfuryl alcohol. Elliott soil humic and fulvic acids were employed for these experiments. When added in the concentration range of 10(-4) - 10(-3) M, 2,4,6-Trimethylphenol inhibited furfuryl alcohol photooxygenation to an extent depending on its concentration. The inhibiting effect decreased as the oxygen concentration was increased. By postulating that 2,4,6-Trimethylphenol competes with oxygen for reaction with humic triplet excited states and with furfuryl alcohol for reaction with singlet oxygen, we obtained kinetic laws describing the consumption profiles of furfuryl alcohol and 2,4,6-Trimethylphenol. Experimental rates of 2,4,6-Trimethylphenol and furfuryl alcohol loss could be satisfactorily fitted with 1.09-1.16 for the ratio k2/k3, where k2 and k3 are the reaction rate constants of humic triplet excited states with oxygen and 2,4,6-Trimethylphenol, respectively. These types of experiments could be extended to a variety of substrates to measure their reaction rate constants with humic triplet excited states.
Gas-phase acidities and O-H bond dissociation enthalpies of phenol, 3-methylphenol, 2,4,6-Trimethylphenol, and ethanoic acid
J Phys Chem A 2006 Sep 7;110(35):10392-403.PMID:16942044DOI:10.1021/jp0627426.
Energy-resolved, competitive threshold collision-induced dissociation (TCID) methods are used to measure the gas-phase acidities of phenol, 3-methylphenol, 2,4,6-Trimethylphenol, and ethanoic acid relative to hydrogen cyanide, hydrogen sulfide, and the hydroperoxyl radical using guided ion beam tandem mass spectrometry. The gas-phase acidities of Delta(acid)H298(C6H5OH) = 1456 +/- 4 kJ/mol, Delta(acid)H298(3-CH3C6H4OH) = 1457 +/- 5 kJ/mol, Delta(acid)H298(2,4,6-(CH3)3C6H2OH) = 1456 +/- 4 kJ/mol, and Delta(acid)H298(CH3COOH) = 1457 +/- 6 kJ/mol are determined. The O-H bond dissociation enthalpy of D298(C6H5O-H) = 361 +/- 4 kJ/mol is derived using the previously published experimental electron affinity for C6H5O, and thermochemical values for the other species are reported. A comparison of the new TCID values with both experimental and theoretical values from the literature is presented.
Humic substances mediated phototransformation of 2,4,6-Trimethylphenol: a catalytic reaction
Photochem Photobiol Sci 2005 Jun;4(6):451-3.PMID:15920627DOI:10.1039/b416925e.
Humic substances at a concentration of 0.42 mmol l(-1) of carbon are able to phototransform up to 0.68 mmol l(-1) of 2,4,6-Trimethylphenol upon irradiation at 365 nm, which shows that a catalytic reaction is operating.
Bacterial metabolism of 2,6-xylenol
Appl Environ Microbiol 1989 Nov;55(11):2904-8.PMID:16348052DOI:10.1128/aem.55.11.2904-2908.1989.
Strain DM1, a Mycobacterium sp. that utilizes 2,6-xylenol, 2,3,6-trimethylphenol, and o-cresol as sources of carbon and energy, was isolated. Intact cells of Mycobacterium strain DM1 grown with 2,6-xylenol cooxidized 2,4,6-Trimethylphenol to 2,4,6-trimethylresorcinol. 4-Chloro-3,5-dimethylphenol prevents 2,6-xylenol from being totally degraded; it was quantitatively converted to 2,6-dimethylhydroquinone by resting cells. 2,6-Dimethylhydroquinone, citraconate, and an unidentified metabolite were detected as products of 2,6-xylenol oxidation in cells that were partially inactivated by EDTA. Under oxygen limitation, 2,6-dimethylhy-droquinone, citraconate, and an unidentified metabolite were released during 2,6-xylenol turnover by resting cells. Cell extracts of 2,6-xylenol-grown cells contained a 2,6-dimethylhydroquinone-converting enzyme. When supplemented with NADH, cell extracts catalyzed the reduction of 2,6-dimethyl-3-hydroxyquinone to 2,6-dimethyl-3-hydroxyhydroquinone. Since a citraconase was also demonstrated in cell extracts, a new metabolic pathway with 2,6-dimethyl-3-hydroxyhydroquinone as the ring fission substrate is proposed.
Transformation of 2,4,6-Trimethylphenol and furfuryl alcohol, photosensitised by Aldrich humic acids subject to different filtration procedures
Chemosphere 2013 Jan;90(2):306-11.PMID:22921648DOI:10.1016/j.chemosphere.2012.07.013.
Suspended particles in a system made up of Aldrich humic acids (HAs) in water account for about 13% of the total HA mass, 10-11% of the organic carbon and 9-11% of radiation extinction in the UVA region. Extinction would be made up of radiation scattering (less than one third) and absorption (over two thirds). The contribution of particles to the degradation rates of trimethylphenol and furfuryl alcohol (FFA) (probes of triplet states and (1)O(2), respectively) was lower than 10% and possibly negligible. The results indicate that triplet states and (1)O(2) occurring in the solution bulk are mostly produced by the dissolved HA fraction. Experimental data would not exclude production of (1)O(2) in particle hydrophobic cores, unavailable for reaction with FFA. However, the limited to negligible particle fluorescence places an upper limit to particle core photoactivity.