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| Other Sizes |
| Targets |
3-Phenoxy-1,2-propanediol is a chemical intermediate and does not have a defined biological target. As a glycerol derivative with a phenoxy substituent, it may be metabolized by epoxide hydrolases or alcohol dehydrogenases in vivo. The compound is not a drug and has no known therapeutic target; its primary application is as a synthetic building block for preparing other compounds.
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| ln Vitro |
3-Phenoxy-1,2-propanediol itself does not exhibit significant in vitro biological activity as a drug. As a chemical intermediate, it is not typically evaluated in enzyme inhibition or receptor binding assays. The compound may serve as a substrate for epoxide hydrolase or other oxygenase enzymes, but specific kinetic parameters (Km, Vmax) are not reported. It has no known cytotoxic or antiproliferative activity at low concentrations.
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| ln Vivo |
No direct in vivo activity data for 3-Phenoxy-1,2-propanediol is available. As a glycerol derivative, it may be metabolized to glycerol and phenol derivatives. Glycerol is a common dietary component metabolized via glycolysis. Phenol derivatives may be conjugated and excreted. The compound is not intended for therapeutic use and is not evaluated in animal models for drug efficacy.
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| Enzyme Assay |
General epoxide hydrolase assay (for potential substrate activity): Purified human soluble epoxide hydrolase (sEH) or microsomal epoxide hydrolase (mEH) is incubated in 0.1 M potassium phosphate buffer (pH 7.4) with 50 microM of a fluorescent epoxide substrate (e.g., cyano(6-methoxynaphthalen-2-yl)methyl glycidyl carbonate, CMNCC) and varying concentrations of 3-phenoxy-1,2-propanediol (0-1000 microM) as a potential inhibitor or substrate. The reaction is incubated at 37degC for 10-30 min, and fluorescent product formation is measured. IC₅0 values would indicate if the compound inhibits epoxide hydrolases.
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| Cell Assay |
General in vitro cytotoxicity assay for chemical intermediates: Human cells (e.g., HepG2 or HEK293) are seeded in 96-well plates at 1×10⁴ cells/well in DMEM with 10% FBS and incubated overnight. 3-Phenoxy-1,2-propanediol is dissolved in DMSO and added at final concentrations of 1-1000 microM (DMSO ≤0.1%). Cells are incubated for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 (concentration causing 50% cytotoxicity) is calculated. For most chemical intermediates, the CC₅0 is >500 microM, indicating low cytotoxicity.
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| Animal Protocol |
Acute oral toxicity protocol (OECD 423): Female Sprague-Dawley rats (n=3-5 per step) are fasted overnight and administered a single oral dose of 3-Phenoxy-1,2-propanediol in corn oil or 0.5% methylcellulose at 300, 500, 1000, 2000 mg/kg. Observations for mortality and clinical signs (behavioral changes, convulsions, tremors, salivation, diarrhea, lethargy) are made at 0.5, 1, 2, 4, 6, 24, and 48 h post-dose, then daily for 14 days. Body weight is recorded. Necropsy is performed, and gross abnormalities are noted. The LD₅0 is calculated. For related glyceryl ethers, the LD₅0 is typically >2000 mg/kg, indicating low acute toxicity.
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| ADME/Pharmacokinetics |
No specific PK data for 3-Phenoxy-1,2-propanediol is available. As a small, polar molecule (MW 168.19, Log P ~1.0), it is expected to have moderate water solubility and good oral absorption, likely >50% in rodents. It is probably metabolized by alcohol dehydrogenases to the corresponding aldehyde and carboxylic acid derivatives, and by conjugation (glucuronidation) of the hydroxyl groups. The phenoxy ring may undergo CYP450-mediated hydroxylation. Elimination half-life is likely short (2-4 h). Excretion is predominantly in urine as conjugated metabolites.
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| Toxicity/Toxicokinetics |
For 3-Phenoxy-1,2-propanediol, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing). The compound is not classified as hazardous for acute toxicity. Normal laboratory precautions apply.
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| References |
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| Additional Infomation |
Structure in the first source
3-Phenoxy-1,2-propanediol (CAS# 538-43-2) is a research-grade chemical intermediate used in organic synthesis as a building block for the preparation of various bioactive molecules. It is a glycerol derivative with a phenoxy substituent. It is not an FDA-approved drug. The compound is for research and industrial use only, not for diagnostic or therapeutic applications. It can also be used as a reference standard or in the synthesis of glycidol derivatives. |
| Molecular Formula |
C9H12O3
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|---|---|
| Molecular Weight |
168.19
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| Exact Mass |
168.079
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| CAS # |
538-43-2
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| PubChem CID |
10857
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
12
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| Complexity |
110
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)OCC(CO)O
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| InChi Key |
FNQIYTUXOKTMDM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
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| Chemical Name |
3-phenoxypropane-1,2-diol
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9457 mL | 29.7283 mL | 59.4566 mL | |
| 5 mM | 1.1891 mL | 5.9457 mL | 11.8913 mL | |
| 10 mM | 0.5946 mL | 2.9728 mL | 5.9457 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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