yingweiwo

(±)-1,2-Propanediol

Cat No.:V30072 Purity: ≥98%
(±)-1,2-Propanediol (1,2-(RS)-Propanediol) is an aliphatic alcohol that is often used as an excipient in many active molecule formulations to increase the solubility and stability of the active molecule.
(±)-1,2-Propanediol
(±)-1,2-Propanediol Chemical Structure CAS No.: 57-55-6
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price
500mg
1g
Other Sizes
Official Supplier of:
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text

 

  • Business Relationship with 5000+ Clients Globally
  • Major Universities, Research Institutions, Biotech & Pharma
  • Citations by Top Journals: Nature, Cell, Science, etc.
Top Publications Citing lnvivochem Products
Product Description
(±)-1,2-Propanediol (1,2-(RS)-Propanediol) is an aliphatic alcohol that is often used as an excipient in many active molecule formulations to increase the solubility and stability of the active molecule. .
Biological Activity I Assay Protocols (From Reference)
ADME/Pharmacokinetics
Absorption, Distribution and Excretion
Absorption of orally administered propylene glycol from the gastrointestinal tract, and its removal from the body, follow first order kinetics. Clearance from blood is rapid in humans, with a mean half-life of approx. 2 hr. Its metabolism is inhibited by pyrazole, indicating a role for alcohol dehydrogenase in this process. Once absorbed it is readily converted into lactic and pyruvic acids, which then enter the general metabolic pool.
Propylene glycol is readily absorbed from the GI tract and distributed throughout total body water. Propylene glycol accumulation is reported to differ significantly among people maintained on a repetitive oral dosing schedule, due to intersubject variability in clearance.
The uptake of propylene glycol mist by humans was studied using 10% solution in labeled deionized water nebulized into a mist tent. Less than 5% of the mist entered the body, and of this 90% lodged in the nasopharynx and rapidly disappeared into the stomach. Very little was found in the lungs.
Intravenous administration of propylene glycol in amounts of 3-15 g/sq m is followed by plasma concentration of 60 to 425 ug/mL, respectively, with ... a volume of distribution of 0.51 to 0.88 L/kg, and a clearance rate of about 300 mL/min/1.73 sq m. Cerebrospinal fluid concentrations are as high as 85% of the serum concentrations.
For more Absorption, Distribution and Excretion (Complete) data for Propylene glycol (20 total), please visit the HSDB record page.
Metabolism / Metabolites
Propylene glycol undergoes metabolic oxidation to pyruvic acid, acetic acid, lactic acid, and propionaldehyde.
In what is considered to be the main pathway of propylene glycol metabolism in mammals, propylene glycol is oxidized by alcohol dehydrogenase to lactaldehyde, then to lactate by aldehyde dehydrogenase. The lactate is further metabolized to pyruvate, carbon dioxide, and water. Lactate also contributes to glucose formation through gluconeogenic pathways. Lactate, via phosphoenol pyruvate, can be detoxified into glucose and stored as glycogen ... Excess production of lactic acid resulting from very large exposures to propylene glycol can produce a metabolic anion gap [anion gap = (Na+) - (Cl - + total CO2)] and metabolic acidosis. Serum levels of >180 mg/L [2.37mM] can result in toxicity.
Synthesis of propylene glycol results in a 1:1 ratio of D and L stereoisomer forms. There is some, although incomplete, information in the literature about stereospecificity of the enzymes in the propylene glycol metabolic pathways ... In the main metabolic pathway, D and L forms of lactaldehyde and lactate are formed. In the horse and rabbit, ADH will oxidize the L form of propylene glycol and lactaldehyde more efficiently than the D form. L-lactic acidosis has been observed in both humans and animals following exposure to propylene glycol). The conversion of lactaldehyde to methylglyoxal by ADH and then to D-lactate by glyoxalase and reduced glutathione is thought to be an alternate route of metabolism ... D-lactate is cleared more slowly than L-lactate and is considered a poor substrate for gluconeogenesis. Methylglyoxal synthetase can convert the substrate, dihydroxyacetone phosphate, to methylglyoxal. However, in conditions where ketone levels are high, such as diabetes or starvation, methylglyoxal synthetase activity is increased, producing more methylglyoxal and D-lactate. Excessive production of D-lactate may result in its accumulation, especially in the brain, which has a low level of catabolizing enzymes. Therefore, in cases of ketosis, excess levels of D-lactate may be exacerbated by propylene glycol. In a third possible metabolic pathway, propylene glycol can be phosphorylated, converted to acetol phosphate, lactaldehyde phosphate, lactyl phosphate, and lactic acid ... Metabolism of D and L forms of propylene glycol in this pathway is species-specific. The rabbit converts the L form of phosphorylated propylene glycol to lactic acid, whereas the rat and mouse can convert both forms. /D and L isomers/
Studies in humans and rodents suggest that the placenta has extremely limited capacity to metabolize propylene glycol. Class III ADH /was isolated/ from full term human placenta and found /to have/ low activity for ethanol and a Km value for octanol that was 100-times higher than the Class I ADH enzyme found in human liver ... ALDH from full-term human placentas had a lower activity and Vmax, and a higher Km value than ALDH isoenzymes from liver. In rats, placenta was found to have no ADH activity and ALDH activity in placenta was found to be 4-7% of liver activity
For more Metabolism/Metabolites (Complete) data for Propylene glycol (12 total), please visit the HSDB record page.
Biological Half-Life
Whole body: 1.4-30.5 hours (longer in infants and shorter in adults); [TDR, p. 1056]
Intravenous administration of propylene glycol in amounts of 3-15 g/sq m is followed by plasma concentration of 60 to 425 ug/mL, respectively, with a half-life of 1.8 to 3.3 hours ...
/Infant, premature/ Oral: Mean half-life in premature infants was 19.3 hours (range 108-30.5).
/Infant/ Dermal: 16.9 hours in an 8-month-old infant.
Parenteral: 2.4 - 5.2 hr, 1.4 - 3.3 hr (mean 2.3 +/- 0.7 hr).
For more Biological Half-Life (Complete) data for Propylene glycol (7 total), please visit the HSDB record page.
Toxicity/Toxicokinetics
Toxicity Summary
EXPOSURE. Propylene glycol (PG) production capacity in the US was 1312 million pounds (596 kilotons) in 1998. Domestic demand was 1050 million pounds (477 kilotons). PG is used as an ingredient in cosmetics at concentrations of <0.1% to >50%. Approximately 4000 cosmetic products contained PG in 1994. Uses of PG, with percent of demand, are: unsaturated polyester resins, 26 percent; antifreeze and de- icing fluids, 22 percent; food, drug and cosmetics uses, 18 percent; liquid detergents, 11 percent; functional fluids (inks, specialty anti-freeze, de-icing lubricants), 4 percent; pet foods, 3 percent; paints and coatings, 5 percent; tobacco, 3 percent; miscellaneous, including plasticizer use, 8 percent. HEALTH. Propylene glycol (PG) is not acutely toxic. The lowest oral LD50 values range between 18 and 23.9 mg/kg (5 different species) and the reported dermal LD50 is 20.8 mg/kg. PG is essentially nonirritating to the skin and mildly irritating to the eyes. Numerous studies support that PG is not a skin sensitizer. Repeated exposures of rats to propylene glycol in drinking water or feed did not result in adverse effects at levels up to 10% in water (estimated at about 10 g/kg bw/day) or 5% in feed (dosage reported as 2.5 g/kg bw/day) for periods up to 2 years. In cats, two studies of at least 90 days duration show that a species-specific effect of increased Heinz bodies was observed (NOAEL = 80 mg/kg bw/day; LOAEL = 443 mg/kg bw/day), with other hematological effects (decrease in number of erythrocytes and erythrocyte survival) reported at higher doses (6-12% in diet, or 3.7-10.1 g/cat/day). Propylene glycol did not cause fetal or developmental toxicity in rats, mice, rabbits, or hamsters (NOAELs range from 1.2 to 1.6 g/kg bw/day in four species). No reproductive effects were found when propylene glycol was administered at up to 5% in the drinking water (reported as 10.1 g/kg bw/day) of mice. Propylene glycol was not a genetic toxicant as demonstrated by a battery of in vivo (micronucleus, dominant lethal, chromosome aberration) and in vitro (bacterial and mammalian cells and cultures) studies. No increase in tumors was found in all tissues examined when propylene glycol was administered in the diet of rats (2.5 g/kg bw/day for 2 years), or applied to the skin of female rats (100% PG; total dose not reported; 14 months) or mice (mouse dose estimated at about 2 g/kg bw/week; lifetime). These data support a lack of carcinogenicity for PG. ENVIRONMENT. ... Measured freshwater aquatic toxicity data for fish, daphnia and algae report LC/EC50 values of >18,000 mg/L. Therefore, PG is not acutely toxic to aquatic organisms except at very high concentrations. Using an assessment factor of 100 and the Ceriodaphnia data (48- hour EC 50 = 18,340 mg/l), the predicted no effect concentration is 183 mg/L.
Interactions
The effects of propylene-glycol (PG) alone and the interactions between PG and calcium channel blockers were investigated on the inward calcium current at motor nerve terminals in mice. Phrenic nerve/diaphragm preparations from male ICR-mice were used. Examining the effect of 5% PG on the potassium current at the nerve terminal showed two positive spikes generated by treatment with d-tubocurarine (d-Tc) at the terminal part of the nerve terminal. The second positive spike is ascribed to the outward potassium current. PG did not change this spike at all, suggesting that this compound had no effect on the potassium channels. Pretreatments with d-Tc, tetraethylammonium (TEA), and 3,4-diaminopyridine (DAP) evoked the prolonged negative component of the action potential at the terminal part of the nerve terminal. PG augmented this component which is ascribed to the inward calcium current. The effects of calcium channel blockers were examined to determine whether the calcium channel blockers antagonize PG. Cumulative addition of cadmium-chloride, manganese-chloride, or cobalt-chloride suppressed the prolonged negative component that had been augmented by treatment with PG.
Non-Human Toxicity Values
LD50 Rat oral 21000 - 33700 mg/kg
LD50 Rat oral 22,000 mg/kg
LD50 Rat ip 6660 mg/kg
LD50 Rat iv 6423 mg/kg
For more Non-Human Toxicity Values (Complete) data for Propylene glycol (20 total), please visit the HSDB record page.
References

[1]. Low but inducible contribution of renal elimination to clearance of propylene glycol in preterm and term neonates. Ther Drug Monit. 2014 Jun;36(3):278-87.

[2]. Neurobehavioral effects of 1,2-propanediol in zebrafish (Danio rerio). Neurotoxicology. 2018 Mar;65:111-124.

Additional Infomation
Therapeutic Uses
Propylene glycol is used as a vehicle for IV administration of drugs such as lorazepam, etomidate, phenytoin, diazepam, digoxin, hydralazine, esmolol, chlordiazepoxide, multivitamins, nitroglycerin, pentobarbital sodium, phenobarbital sodium, and trimethoprim-sulfamethoxazole.
As an antiseptic it is similar to ethanol, and against molds it is similar to glycerin and only slightly less effective than ethanol.
Hydroscopic agents (eg, propylene glycol...) are added /to respiratory inhalants/ to reduce viscosity of bronchial secretions.
Ointment containing approx 70% propylene glycol has been used as osmotic agent with good results in treatment of edema of cornea.
For more Therapeutic Uses (Complete) data for Propylene glycol (9 total), please visit the HSDB record page.
Drug Warnings
Hyperosmolality has been induced by propylene glycol (PG) in a number of clinical settings ..., particularly in intensive care unit patients during the administration of nitroglycerin solutions that contain PG ...
Formulations containing 35% propylene glycol can cause hemolysis in humans.
Hemolysis, CNS depression, hyperosmolality, and lactic acidosis have been reported after IV administration of propylene glycol.
Propylene glycol is a commonly used solvent for oral, intravenous, and topical pharmaceutical preparations. Although it is considered safe, large intravenous doses given over a short period of time can be toxic. Underlying renal insufficiency and hepatic dysfunction raise risk for toxicity. Toxic effects include hyperosmolality, increased anion gap metabolic acidosis (due to lactic acidosis), acute kidney injury, and sepsis-like syndrome. Treatment of toxicity includes hemodialysis to effectively remove propylene glycol. Prevention is best achieved by limiting the dose of propylene glycol infused.
For more Drug Warnings (Complete) data for Propylene glycol (41 total), please visit the HSDB record page.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C3H8O2
Molecular Weight
76.0944
Exact Mass
76.052
CAS #
57-55-6
Related CAS #
58858-91-6 (hydrochloride salt)
PubChem CID
1030
Appearance
Colorless viscous liquid
Density
1.0±0.1 g/cm3
Boiling Point
184.8±8.0 °C at 760 mmHg
Melting Point
-60ºC
Flash Point
107.2±0.0 °C
Vapour Pressure
0.2±0.8 mmHg at 25°C
Index of Refraction
1.430
LogP
-1.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Heavy Atom Count
5
Complexity
20.9
Defined Atom Stereocenter Count
0
SMILES
O([H])C([H])(C([H])([H])[H])C([H])([H])O[H]
InChi Key
DNIAPMSPPWPWGF-UHFFFAOYSA-N
InChi Code
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Chemical Name
propane-1,2-diol
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 Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~1314.23 mM)
H2O : ~100 mg/mL (~1314.23 mM)
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 13.1423 mL 65.7117 mL 131.4233 mL
5 mM 2.6285 mL 13.1423 mL 26.2847 mL
10 mM 1.3142 mL 6.5712 mL 13.1423 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
+
+
+

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.

Contact Us