| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Aromatic aldehydes are oxidized in vivo almost entirely to corresponding acid. Thus, in rabbits, p-tolualdehyde is converted to p-toluic acid which has been detected in urine as the ester glucuronide. p-Tolualdehyde was oxidized to p-toluic acid by resting cells of pseudomonas aeruginosa. Perillaldehyde dehydrogenase, isolated from soil pseudomonad, catalyzed the oxidn of m- & p-tolualdehyde but not o-tolualdehyde. Aldehydes are readily oxidized to organic acids. Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/ ... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/ For more Metabolism/Metabolites (Complete) data for 4-METHYLBENZALDEHYDE (7 total), please visit the HSDB record page. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Data
LC (rat) > 2,200 mg/m3 Non-Human Toxicity Values LD50 Mouse ip 400 mg/kg LD50 Mouse oral 3200 mg/kg LD50 Rat ip 800 mg/kg LD50 Rat oral 1600 mg/kg |
| Additional Infomation |
P-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 4-position. It has a role as a plant metabolite.
4-Methylbenzaldehyde has been reported in Artemisia minor, Gossypium hirsutum, and other organisms with data available. |
| Molecular Formula |
C₈H₈O
|
|---|---|
| Molecular Weight |
120.15
|
| Exact Mass |
120.057
|
| CAS # |
104-87-0
|
| Related CAS # |
p-Tolualdehyde-d7;1219805-23-8;p-Tolualdehyde-d4;1219804-07-5
|
| PubChem CID |
7725
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.015
|
| Boiling Point |
204-205 ºC
|
| Melting Point |
-6 °C
|
| Flash Point |
80 ºC
|
| Vapour Pressure |
0.3±0.4 mmHg at 25°C
|
| Index of Refraction |
1.558
|
| LogP |
2.1
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
90.7
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C([H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H]
|
| InChi Key |
FXLOVSHXALFLKQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
|
| Chemical Name |
4-methylbenzaldehyde
|
| Synonyms |
pTolualdehyde; p Tolualdehyde
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~832.29 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (20.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (20.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 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 |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
