p-Tolualdehyde
(Synonyms: 对甲基苯甲醛) 目录号 : GC39789
p-Tolualdehyde 是一种内源性代谢产物。
Cas No.:104-87-0
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
p-Tolualdehyde is an endogenous metabolite.
| Cas No. | 104-87-0 | SDF | |
| 别名 | 对甲基苯甲醛 | ||
| Canonical SMILES | CC1=CC=C(C=O)C=C1 | ||
| 分子式 | C8H8O | 分子量 | 120.15 |
| 溶解度 | DMSO : 100 mg/mL (832.29 mM; Need ultrasonic) | 储存条件 | Store at -20°C |
| 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 | 8.3229 mL | 41.6146 mL | 83.2293 mL |
| 5 mM | 1.6646 mL | 8.3229 mL | 16.6459 mL |
| 10 mM | 0.8323 mL | 4.1615 mL | 8.3229 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。
RIFM fragrance ingredient safety assessment, p-Tolualdehyde, CAS Registry Number 104-87-0
Food Chem Toxicol 2021 Mar;149 Suppl 1:111982.PMID:33454360DOI:10.1016/j.fct.2021.111982.
The existing information supports the use of this material as described in this safety assessment. p-Tolualdehyde was evaluated for genotoxicity, repeated dose toxicity, developmental and reproductive toxicity, local respiratory toxicity, phototoxicity, skin sensitization potential, and environmental safety. Data from read-across analog benzaldehyde (CAS # 100-52-7) show that p-Tolualdehyde is not expected to be genotoxic. Data from read-across analog cuminaldehyde (CAS # 122-03-2) provided p-Tolualdehyde a No Expected Sensitization Induction Level (NESIL) of 1100 μg/cm2 for the skin sensitization endpoint. The repeated dose toxicity, developmental and reproductive toxicity, and local respiratory toxicity endpoints were completed using the threshold of toxicological concern (TTC) for a Cramer Class I material, and the exposure to p-Tolualdehyde is below the TTC (0.03 mg/kg/day, 0.03 mg/kg/day, and 1.4 mg/day, respectively). The phototoxicity/photoallergenicity endpoints were evaluated based on data from read-across analog 4-ethylbenzaldehyde (CAS # 4748-78-1); p-Tolualdehyde is not expected to be phototoxic/photoallergenic. The environmental endpoints were evaluated; p-Tolualdehyde was found not to be persistent, bioaccumulative, and toxic (PBT) as per the International Fragrance Association (IFRA) Environmental Standards, and its risk quotients, based on its current volume of use in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are <1.
100 selective oxygenation of p-xylene to p-Tolualdehyde via photoinduced electron transfer
Org Lett 2000 Nov 16;2(23):3647-50.PMID:11073666DOI:10.1021/ol0065571.
The 100% selective oxygenation of p-xylene to p-Tolualdehyde is initiated by photoinduced electron transfer from p-xylene to the singlet excited state of 10-methyl-9-phenylacridinium ion under visible light irradiation, yielding p-Tolualdehyde exclusively as the final oxygenated product. The reason for the high selectivity in the photocatalytic oxygenation of p-xylene is discussed on the basis of the photoinduced electron transfer mechanism.
Simultaneous production of p-Tolualdehyde and hydrogen peroxide in photocatalytic oxygenation of p-xylene and reduction of oxygen with 9-mesityl-10-methylacridinium ion derivatives
Chem Commun (Camb) 2010 Jan 28;46(4):601-3.PMID:20062875DOI:10.1039/b920606j.
Photooxygenation of p-xylene by oxygen occurs efficiently under photoirradiation of 9-mesityl-2,7,10-trimethylacridinium ion (Me(2)Acr(+)-Mes) to yield p-Tolualdehyde and hydrogen peroxide, which is initiated via photoinduced electron transfer of Me(2)Acr(+)-Mes to produce the electron-transfer state.
The biotransformation of p-xylene to a toxic aldehyde
Drug Metab Dispos 1978 Jul-Aug;6(4):368-74.PMID:28915doi
Rats given a single ip injection of p-xylene suffered 65% loss of pulmonary microsomal p-xylene hydroxylase activity. The activity was protected by pretreating the rats with phenobarbital, which increased hepatic p-xylene hydroxylase and cytosolic aldehyde dehydrogenase activities, but had no effect on alcohol dehydrogenase activity in hepatic cytosol. Pretreatment of rats with pyrazole caused a 60% inhibition of liver alcohol dehydrogenase but had no effect on liver aldehyde dehydrogenase activity. This treatment partially protected the pulmonary microsomal p-xylene hydroxylase from inactivation by p-xylene. Experiments in vitro showed that inactivation of cytochrome P-450 by p-xylene required the metabolic conversion of p-xylene to p-Tolualdehyde. The reactive intermediate (p-Tolualdehyde) required the presence of NADPH to carry out the inactivation. Inasmuch as lung tissues cannot form p-Tolualdehyde (because of the low activity of p-methylbenzyl alcohol dehydrogenase), it is assumed that the inactivation of lung enzymes in vivo following exposure to p-xylene was due to the aldehyde intermediate which is formed in the liver and transported to the lung.
Simultaneous quantitation of hydrazine and acetylhydrazine in human plasma by high performance liquid chromatography-tandem mass spectrometry after derivatization with p-Tolualdehyde
J Chromatogr B Analyt Technol Biomed Life Sci 2017 Sep 15;1063:189-195.PMID:28881295DOI:10.1016/j.jchromb.2017.08.036.
A high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method was developed for simultaneous quantitative analysis of hydrazine and acetylhydrazine in human plasma based on the strategy of p-Tolualdehyde derivatization. The derivatization reactions were easily realized by ultrasonic manipulation for 40min. Good separation of the derivatization products was achieved using a C18 column by gradient elution. The optimized mass transition ion-pairs (m/z) monitored for the two hydrazine derivatives were m/z 237.1≫>119.9 and m/z 176.9≫>117.8, respectively. The limit of detection (LOD) and limit of quantification (LOQ) for hydrazine were 0.002 and 0.005ngmL-1 separately. And they were 0.03 and 0.05ngmL-1 for acetylhydrazine, respectively. The linear range was 0.005-50ngmL-1 for hydrazine and 0.05-500ngmL-1 for acetylhydrazine with R2 greater than 0.999. The recovery range was determined to be 95.38-108.12% with the relative standard deviation (RSD) in the range of 1.24-14.89%. The method was successfully applied to detect 30 clinical plasma samples of pulmonary tuberculosis patients treated with isoniazid. The concentrations were from 0.04-1.99ngmL-1 for hydrazine and 0.06-142.43ngmL-1 for acetylhydrazine. The results indicated that our developed method had the potential for the detection of hydrazine toxicology in complex biological samples. Furthermore, the method has an important significance to clinical treatment with drugs.