| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
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/ |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
IDENTIFICATION AND USE: 2-Methylbenzaldehyde is a liquid. It is slightly soluble in water; soluble in carbon tetrachloride, ethanol, ethyl ether, AND benzene, and very soluble in acetone. No information could be located on its useS. HUMAN EXPOSURE AND TOXICITY: No evidence of skin sensitization was found in volunteers treated with dilute solutions. Monitoring and effluent data indicate that the general population may be exposed to this chemical by inhalation of ambient air, and ingestion of certain foods. ANIMAL STUDIES: Tolualdehyde was a skin irritant in rabbits. Sensitization reactions have been reported in guinea pigs. In rats, the acute oral and dermal toxicity were low. In rats, the pituitary gland weight was reduced following repeated oral administration .There was no evidence of mutagenicity in Salmonela typhimurium bacterial tests. |
| Additional Infomation |
O-tolualdehyde is a clear liquid. (NTP, 1992)
O-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 2-position. It has a role as a plant metabolite. 2-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 # |
529-20-4
|
| Related CAS # |
2-Methylbenzaldehyde-13C;138151-99-2
|
| PubChem CID |
10722
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
201.0±0.0 °C at 760 mmHg
|
| Melting Point |
-35 °C
|
| Flash Point |
79.5±4.9 °C
|
| Vapour Pressure |
0.3±0.3 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 |
98.7
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
|
| InChi Key |
BTFQKIATRPGRBS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
|
| Chemical Name |
2-methylbenzaldehyde
|
| Synonyms |
2Methylbenzaldehyde; 2 Methylbenzaldehyde
|
| 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.
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