| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
No pharmacokinetic data. No pharmacokinetic data. No pharmacokinetic data. No pharmacokinetic data. Metabolites/Metabolites No pharmacokinetic data. Benzoic acid is converted to hydrobenzoic acid and meso-hydrobenzoic acid in Curvularia. ACKLIN, W et al., Croatian Journal of Chemistry, 37, 11 (1965). /Excerpt from Tables/ Biological Half-Life No pharmacokinetic data. |
|---|---|
| Toxicity/Toxicokinetics |
Protein Binding
No pharmacokinetic data available. |
| References | |
| Additional Infomation |
Benzoin is a grayish-white to yellowish-white crystalline solid with a camphor odor and a slightly pungent taste. When broken, the fresh surface is milky white. (NTP, 1992)
Benzoin is a ketone compound composed of acetophenone with a hydroxyl group and a phenyl substituent at the α-position. It is the parent compound of the benzoin class. It is an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a member of the benzoin class and also a secondary α-hydroxy ketone. Benzoin is a white crystalline compound prepared by the condensation of benzaldehyde in potassium cyanide and used in organic synthesis. Do not confuse it with benzoin gum produced by STYRAX (see [DB11222]). Benzoin is a colorant approved by the U.S. Food and Drug Administration (FDA) for labeling fruits and vegetables. Benzoin has been reported in Dianthus caryophyllus, and relevant data exists. (±)-Benzoin is a flavoring agent. Benzoin is an organic compound with the molecular formula PhCH(OH)C(O)Ph. It is a hydroxyketone linked by two phenyl groups. It is a grayish-white crystalline solid with a slightly camphor-like odor. Benzoin is synthesized from benzaldehyde via the benzoin condensation reaction. It is chiral and exists in two enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia) Benzoin belongs to the benzoin family of compounds. These are organic compounds containing a 1,2-hydroxyketone linked by two phenyl groups. Benzoin is a metabolite of or produced by Saccharomyces cerevisiae. It is a white crystalline compound obtained by the condensation of benzaldehyde in potassium cyanide and is used in organic synthesis. Do not confuse it with the benzoin gum of benzoin (STYRAX). See also: Siamese benzoin gel (note moved to); benzoin resin (note moved to). Drug indications There are currently no approved therapeutic indications. |
| Molecular Formula |
C14H12O2
|
|---|---|
| Molecular Weight |
212.24
|
| Exact Mass |
212.083
|
| CAS # |
119-53-9
|
| Related CAS # |
Benzoin-d10;56830-64-9
|
| PubChem CID |
8400
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
343.0±0.0 °C at 760 mmHg
|
| Melting Point |
134-138 °C(lit.)
|
| Flash Point |
154.8±14.9 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.609
|
| LogP |
2.13
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
16
|
| Complexity |
225
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ISAOCJYIOMOJEB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
|
| Chemical Name |
2-hydroxy-1,2-diphenylethanone
|
| 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 |
| 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: 50 mg/mL (235.58 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.78 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 (11.78 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 (11.78 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 | 4.7116 mL | 23.5582 mL | 47.1165 mL | |
| 5 mM | 0.9423 mL | 4.7116 mL | 9.4233 mL | |
| 10 mM | 0.4712 mL | 2.3558 mL | 4.7116 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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