1-Phenoxy-2-propanol is also used in pesticide formulations, where it helps dissolve and stabilize active ingredients, as well as in metal cleaning products, where it functions as a dispersing agent.
1-Phenoxy-2-propanol is used in perfumes, fragrances, and essential oils to facilitate better blending of aromatic compounds.
With applications in food and beverage products as a preservative, and even in toothpaste for tartar control, 1-Phenoxy-2-propanol demonstrates its widespread utility across numerous sectors.
CAS Number: 122-99-6
EC Number: 212-222-7
Molecular Formula: C9H12O2
Molar mass: 138.166 g·mol−1
Synonyms: 1-Phenoxy-2-propanol, 1-Phenoxy-2-propanol, 1-Phénoxy-2-propanol, 1-Phenoxypropan-2-ol, 2-Propanol, 1-phenoxy-212-222-7, 41593-38-8, 87CZY0NY1A, DOWANOL(R) PPh, MFCD00016861, phenoxy-propan-2-ol (mixed isomer), Phenoxyisopropanol, Propylene glycol phenyl ether, Propylene phenoxytol, (2S)-1-Phenoxy-2-propanol, (±)-1-PHENOXYPROPAN-2-OL, 1,2-PROPANEDIOL,(S)-FORM,1-PH ETHER, 1-(phenoxy)propan-2-ol, 1-PHENOXY-2-HYDROXYPROPANE, 1-Phenoxy-2-propanol, tech., 130879-97-, 2-Phenoxy-1-methylethanol, 770-35-4, 95%, DOWANOL PPh, Phenoxypropanol, Phenyl-β-hydroxypropyl ether, propan-2-ol, 1-phenoxy-, Propylene glycol monophenyl ether, PROPYLENE PHENOXETOL, propylene phenoxytol, reagent, Propylenephenoxythol, 1-Phenyl-1-propanol, 1-Phenylpropan-1-ol, 93-54-9, Phenylpropanol, 1-Phenylpropanol, Phenycholon, Fepar, Ejibil, Felicur, Livonal, 1-Phenylpropyl alcohol, Gallenperlen, Phenylchol, Bilergon, Carbicol, Choleda, Epatoxfen, Felitrope, Phenicol, Phenychol, Unichol, Phenyl ethyl carbinol, Phenylcholon, alpha-Ethylbenzyl alcohol, Ethyl phenyl carbinol, 1-Propanol, 1-phenyl-, 1-Phenyl-1-hydroxypropane, Phenylpropanol [JAN], FEMA No. 2884, SH 261, Phenylaethylcarbinol, phenyl propanol, Benzenemethanol, .alpha.-ethyl-, .alpha.-Ethylbenzyl alcohol, NSC 25504, Benzyl alcohol, .alpha.-ethyl-, 1-Phenyl-propan-1-ol, MFCD00004564, NSC-25504, .alpha.-Hydroxypropylbenzene, .omega.-Ethylbenzyl alcohol, DTXSID2044474, 0F897O3O4M, Phenylpropanol (JAN), NCGC00165972-01, alpha-Ethylbenzenemethanol, Fenicol (VAN), alpha-Hydroxypropylbenzene, ETHYLPHENYLCARBINOL, Phenylaethylcarbinol [German], Benzenemethanol, alpha-ethyl-, a-ethylbenzyl alcohol, R-(+)-1-Phenylpropanol, S-(-)-1-Phenylpropanol, (R)-1-phenyl-1-propanol, BENZYL ALCOHOL, alpha-ETHYL-, EINECS 202-256-0, BRN 1906759, UNII-0F897O3O4M, AI3-19819, Phenylpropylalkohol, Ethylbenzyl alcohol, 1-Phenyl-n-propanol, a-Hydroxypropylbenzene, Other proprietary names, 1- phenyl-1-propanol, Phenyl-1-propan-1-ol, alpha-Ethyl-benzyl alcohol, 1-hydroxy-1-phenylpropane, (+/-)-1-Phenylpropanol, EC 202-256-0, .alpha.-Ethylbenzenemethanol, a-Ethylbenzenemethanol, 9CI, SCHEMBL56673, ghl.PD_Mitscher_leg0.415, 4-06-00-03183 (Beilstein Handbook Reference), PHENYLPROPANOL [MART.], (+/-) 1-phenyl-1-propanol, CHEMBL1397202, DTXCID0024474, CHEBI:31995, FEMA 2884, 1-Phenyl-1-propanol, >=97%, NSC25504, NSC41708, STR02714, Tox21_112275, 1-PHENYL-1-PROPANOL [FHFI], ETHYLBENZYL ALCOHOL [WHO-DD], NSC-41708, 1-Phenyl-1-propanol, >=97%, FG, AKOS000249117, AKOS016843880, AB88253, CS-W013334, HY-W012618, CAS-93-54-9, s11247, NCGC00165972-02, NCGC00165980-01, NCGC00166078-01, .ALPHA.-ETHYLBENZYL ALCOHOL [MI], DA-66667, SY020321, SY101126, DB-043324, DB-072950, NS00004787, P0212, D01470, EN300-128217, SBI-0654040.0001, SR-01000944521, ( inverted exclamation markA)-1-Phenyl-1-propanol, Q-200134, SR-01000944521-1, Q15726117, Z335245178
1-Phenoxy-2-propanol is a synthetic organic compound widely utilized as a preservative, solvent, and stabilizer in various industrial, cosmetic, and pharmaceutical products.
1-Phenoxy-2-propanol appears as a colorless to pale yellow liquid with a mild, pleasant odor, and is known for its excellent solubility in water, alcohol, and numerous organic solvents.
The chemical formula of 1-Phenoxy-2-propanol is C9H12O2, with a molecular weight of 152.19 g/mol.
1-Phenoxy-2-propanol serves multiple functions across various industries, including acting as an antimicrobial agent, a solvent for essential oils, and a stabilizer in personal care products such as lotions, shampoos, deodorants, and facial creams.
1-Phenoxy-2-propanol also finds important applications in the pharmaceutical industry, where it is used to preserve medications and enhance the stability of formulations.
While 1-Phenoxy-2-propanol is generally considered safe for use in concentrations of up to 1% in cosmetics, excessive exposure may lead to skin irritation, especially in sensitive individuals.
Additionally, 1-Phenoxy-2-propanol is flammable, so precautions should be taken to avoid open flames and prolonged exposure to high concentrations.
1-Phenoxy-2-propanol is highly valued for its ability to prevent microbial contamination, making it essential for ensuring the safety and longevity of products.
1-Phenoxy-2-propanol is commonly included in formulations where preservation and stability are vital.
Beyond cosmetics and pharmaceuticals, 1-Phenoxy-2-propanol's versatility extends to its use as a solvent in some pesticide formulations and a stabilizing agent in various chemical processes, further cementing its importance in numerous industries.
Synthetically, 1-Phenoxy-2-propanol is produced by reacting propylene oxide with phenol in the presence of an Al2O3-MgO/Fe3O4 catalyst.
1-Phenoxy-2-propanol's anesthetic effects on gastropods have been explored, and studies have been conducted on its degradation by microorganisms in different soil types.
As a glycol ether, 1-Phenoxy-2-propanol belongs to a group of antimicrobial agents with a hydroxyl group and ATP levels that are critical for its activity.
1-Phenoxy-2-propanol is widely used as a preservative in cosmetics and pharmaceuticals, although it is excluded from eye products.
1-Phenoxy-2-propanol is a colorless oily liquid that can be classified as both a glycol ether and a phenol ether.
1-Phenoxy-2-propanol is commonly found in vaccine formulations and has a faint rose-like aroma.
1-Phenoxy-2-propanol's broad utility makes it a versatile and essential chemical in a variety of applications, particularly within the cosmetic, pharmaceutical, and industrial sectors.
1-Phenoxy-2-propanol's stability and solubility in water, alcohol, and organic solvents make it an attractive ingredient for ensuring the performance and safety of formulations.
In cosmetics, 1-Phenoxy-2-propanol’s preservative and antimicrobial properties help extend the shelf life of products by preventing the growth of harmful microorganisms such as bacteria, mold, and yeast.
1-Phenoxy-2-propanol is commonly found in skin lotions, shampoos, deodorants, sunscreens, and facial creams, where it ensures the safety and efficacy of the products.
In the pharmaceutical industry, 1-Phenoxy-2-propanol serves as a stabilizer and preservative, helping ensure the longevity and safety of medications.
1-Phenoxy-2-propanol is also used as a solvent for essential oils, contributing to the creation of perfumes, fragrances, and other specialty products.
Furthermore, 1-Phenoxy-2-propanol is used in some pesticide formulations, where its solvent properties help dissolve and stabilize active ingredients for more effective application.
Although 1-Phenoxy-2-propanol is considered safe for topical use in concentrations of up to 1%, it can cause skin irritation or allergic reactions in sensitive individuals, so usage guidelines should be carefully followed.
Due to 1-Phenoxy-2-propanol's flammable nature, extra caution is needed to avoid ignition, particularly in environments with high temperatures or open flames.
With its diverse functions and widespread utility, 1-Phenoxy-2-propanol remains an essential ingredient in maintaining the performance, safety, and stability of many consumer and industrial products.
Uses of 1-Phenoxy-2-propanol:
1-Phenoxy-2-propanol is a highly versatile chemical compound widely used in cosmetics, pharmaceuticals, and industrial applications due to its antimicrobial, solvent, and stabilizing properties.
In cosmetics and personal care products, 1-Phenoxy-2-propanol serves as a preservative to extend shelf life by preventing microbial growth in items such as lotions, shampoos, deodorants, and facial creams.
Additionally, 1-Phenoxy-2-propanol acts as a solvent for essential oils and a stabilizer in formulations, ensuring consistency and effectiveness.
In the pharmaceutical industry, 1-Phenoxy-2-propanol is employed as a preservative in medications and as a solvent for active ingredients, enhancing the stability and safety of pharmaceutical products.
1-Phenoxy-2-propanol's use extends to pesticide formulations, where it helps dissolve and stabilize active ingredients, as well as in metal cleaning products, where it functions as a dispersing agent.
1-Phenoxy-2-propanol is also used in perfumes, fragrances, and essential oils to facilitate better blending of aromatic compounds.
With applications in food and beverage products as a preservative, and even in toothpaste for tartar control, 1-Phenoxy-2-propanol demonstrates its widespread utility across numerous sectors.
1-Phenoxy-2-propanol's multifunctional role makes it an indispensable ingredient in many consumer and industrial formulations.
1-Phenoxy-2-propanol is often used together with quaternary ammonium compounds.
1-Phenoxy-2-propanol is an alternative to formaldehyde-releasing preservatives.
In Japan and the European Union, 1-Phenoxy-2-propanol's concentration in cosmetics is restricted to 1%.
1-Phenoxy-2-propanol has a broad range of applications, primarily in cosmetics, pharmaceuticals, and industrial formulations.
Below are the key uses of 1-Phenoxy-2-propanol:
Cosmetics and Personal Care:
Preservative:
1-Phenoxy-2-propanol is widely used as a preservative in cosmetics and personal care products, such as lotions, shampoos, deodorants, sunscreens, facial creams, and make-up.
1-Phenoxy-2-propanol helps to prevent the growth of bacteria, mold, and yeast, extending the shelf life of these products.
Antimicrobial Agent:
1-Phenoxy-2-propanol has antimicrobial properties that make it effective at maintaining the integrity and safety of products by controlling microbial contamination.
Solvent and Stabilizer:
In addition to its preservative role, 1-Phenoxy-2-propanol acts as a solvent for essential oils and other compounds, as well as a stabilizer in formulations that require consistency and durability.
Pharmaceuticals:
Preservative in Medicines:
1-Phenoxy-2-propanol is used as a preservative in pharmaceutical products to help maintain the stability and safety of medications, preventing microbial contamination.
Solvent for Active Ingredients:
1-Phenoxy-2-propanol is also employed as a solvent for active ingredients in pharmaceutical formulations, enhancing the dissolution and stability of certain compounds.
Industrial Applications:
Pesticide Formulations:
Due to its solvent properties, 1-Phenoxy-2-propanol is used in certain pesticide formulations to dissolve and stabilize active ingredients, making it easier to apply and more effective in pest control.
Metal Cleaning:
1-Phenoxy-2-propanol is used in cleaning agents for metal surfaces, where it acts as a dispersing agent, helping to remove dirt, grease, and other contaminants.
Fragrances and Essential Oils:
Solvent in Fragrances:
1-Phenoxy-2-propanol is used in perfumes and fragrances as a solvent to dissolve essential oils and other aromatic compounds, allowing them to blend more effectively in the final product.
Food and Beverages:
Food Additive:
While less common, 1-Phenoxy-2-propanol is sometimes utilized in food and beverage formulations as a preservative or stabilizer to extend product shelf life.
Other Uses:
Tartar Control in Toothpastes:
1-Phenoxy-2-propanol acts as a tartar control agent in toothpastes by helping to remove calcium and magnesium from saliva, which can contribute to tartar formation on teeth.
Water Treatment:
In some water treatment formulations, 1-Phenoxy-2-propanol serves as a dispersing agent to help maintain the stability and effectiveness of the treatment solution.
Industry Uses:
Solvents (which become part of product formulation or mixture)
Other (specify)
Anti-adhesive/cohesive
Adhesives and sealant chemicals
Not Known or Reasonably Ascertainable
Solvent
Processing aids, not otherwise listed
Consumer Uses:
Other (specify)
Lubricants and lubricant additives
Anti-adhesive/cohesive
Adhesives and sealant chemicals
Not Known or Reasonably Ascertainable
Solvent
Benefits of 1-Phenoxy-2-propanol:
1-Phenoxy-2-propanol offers a variety of benefits, particularly in the fields of cosmetics, pharmaceuticals, and industrial applications.
Some of the key benefits include:
Effective Preservative:
1-Phenoxy-2-propanol is a powerful preservative that helps extend the shelf life of products by preventing the growth of bacteria, mold, and yeast.
This is crucial in personal care products like lotions, shampoos, deodorants, and facial creams, ensuring that they remain safe for use over time.
Antimicrobial Properties:
Due to its antimicrobial action, 1-Phenoxy-2-propanol is effective in protecting products from microbial contamination.
1-Phenoxy-2-propanol helps maintain product integrity and safety, reducing the risk of infection or skin irritation caused by harmful microorganisms.
Solvent and Stabilizer:
In addition to its preservative function, 1-Phenoxy-2-propanol acts as a solvent for essential oils and other organic compounds, making it useful in the formulation of fragrances, perfumes, and other specialty products.
1-Phenoxy-2-propanol also functions as a stabilizer, ensuring the uniformity and consistency of formulations.
Non-Irritating for Most Skin Types:
1-Phenoxy-2-propanol is generally considered safe for topical use, with low risk of skin irritation or sensitization when used in appropriate concentrations (typically up to 1%).
This makes it a suitable option for sensitive skin care products.
Versatility:
1-Phenoxy-2-propanol is highly versatile and finds applications in a wide range of products, including cosmetics, pharmaceuticals, cleaning agents, and even pesticide formulations.
1-Phenoxy-2-propanol is especially useful in multi-functional formulations due to its ability to serve as both a preservative and a solvent.
Environmental Safety:
1-Phenoxy-2-propanol is biodegradable, making it an environmentally friendly option compared to some other preservatives and solvents that may accumulate in the environment.
This property is especially important for manufacturers focused on sustainability.
Tartar Control in Oral Care:
In oral care products like toothpaste, 1-Phenoxy-2-propanol is used as a tartar control agent.
1-Phenoxy-2-propanol helps prevent the deposition of calcium and magnesium on teeth, which are responsible for the formation of tartar, thus promoting oral hygiene and dental health.
Enhances Product Performance:
In cleaning agents and other industrial formulations, 1-Phenoxy-2-propanol acts as a dispersing agent, improving the effectiveness of products by helping to dissolve and distribute active ingredients more efficiently.
1-Phenoxy-2-propanol is also used in metal cleaning and water treatment solutions.
Overall, 1-Phenoxy-2-propanol is valued for its broad-spectrum antimicrobial properties, versatility in formulations, and environmental safety, making it a beneficial ingredient across various industries.
Production of 1-Phenoxy-2-propanol:
1-Phenoxy-2-propanol is produced through a synthetic process that typically involves the reaction of phenol with 1-chloropropan-2-ol.
In this reaction, phenol, an aromatic compound, reacts with 1-chloropropan-2-ol in the presence of a base, such as sodium hydroxide, to facilitate a nucleophilic substitution.
The phenol's hydroxyl group attacks the electrophilic carbon in the 1-chloropropan-2-ol, displacing the chloride ion and forming 1-Phenoxy-2-propanol.
This process is carried out under controlled conditions of temperature and pressure to ensure high yield and purity.
After the reaction, the crude product is purified through methods like distillation or solvent extraction to remove impurities and unreacted starting materials.
The final, purified 1-Phenoxy-2-propanol is then dried and tested for quality before being formulated for use in a variety of products, such as cosmetics, pharmaceuticals, and industrial applications.
This cost-effective production method ensures that 1-Phenoxy-2-propanol is widely available for use as a preservative, solvent, and stabilizer in many different sectors.
General Manufacturing Information of 1-Phenoxy-2-propanol:
Industry Processing Sectors:
Miscellaneous Manufacturing
Textiles, apparel, and leather manufacturing
Adhesive Manufacturing
Paint and Coating Manufacturing
All Other Basic Organic Chemical Manufacturing
Not Known or Reasonably Ascertainable
Printing and Related Support Activities
Mechanism of Action of 1-Phenoxy-2-propanol:
Cell Membrane Disruption:
1-Phenoxy-2-propanol has a hydrophobic (water-repelling) nature, which allows it to interact with the lipid bilayer of bacterial cell membranes.
1-Phenoxy-2-propanol can insert itself into the membrane, causing structural changes and increasing its permeability.
This disrupts the membrane's integrity, leading to leakage of cellular contents, which can be fatal to the microorganism.
Inhibition of Enzyme Activity:
As a preservative, 1-Phenoxy-2-propanol can interfere with the enzymatic systems of microorganisms.
Enzymes that are critical for energy production, cell division, or other vital functions may be inhibited, which disrupts the microorganism’s ability to grow and replicate.
Interference with Protein Synthesis:
1-Phenoxy-2-propanol may also disrupt protein synthesis within microbial cells by affecting ribosomal function or interfering with the processes involved in translating genetic material into functional proteins.
This results in the inhibition of microbial growth and reproduction.
Sequestering of Metal Ions:
In some cases, 1-Phenoxy-2-propanol may act as a chelating agent, binding to essential metal ions in microbial cells, which are required for various metabolic processes.
By sequestering these metal ions, 1-Phenoxy-2-propanol deprives the microorganisms of the necessary resources for growth.
Additional Mechanisms in Industrial Use:
As a solvent, 1-Phenoxy-2-propanol can dissolve hydrophobic substances like essential oils and other active compounds, aiding in their distribution and stability in formulations.
1-Phenoxy-2-propanol is not as active against all pathogens and typically works best in combination with other preservatives to provide broad-spectrum antimicrobial protection.
In summary, 1-Phenoxy-2-propanol acts through a combination of membrane disruption, enzyme inhibition, interference with protein synthesis, and metal ion sequestering to prevent the growth of microorganisms, making it an effective preservative and antimicrobial agent.
History and Synthesis of 1-Phenoxy-2-propanol:
Phenoxyethanol was first prepared by W. H. Perkin Jr. and his graduate student Edward Haworth in 1896.
They reacted sodium, phenol and 2-chloroethanol in anhydrous ethanol.
Starting from the 1920s, 1-Phenoxy-2-propanol has been commercially available as a cellulose acetate solvent under the trademark of "Phenyl cellosolve".
1-Phenoxy-2-propanol is produced in the industry by the hydroxyethylation of phenol (Williamson synthesis), for example, in the presence of alkali-metal hydroxides or alkali-metal borohydrides.
Handling and Storage of 1-Phenoxy-2-propanol:
Handling:
Use 1-Phenoxy-2-propanol in well-ventilated areas to minimize inhalation exposure.
Avoid direct contact with skin and eyes.
Handle 1-Phenoxy-2-propanol in accordance with good industrial hygiene practices.
Do not eat, drink, or smoke while handling 1-Phenoxy-2-propanol.
Storage:
Store in a cool, dry, well-ventilated area, away from direct sunlight and sources of heat.
Keep containers tightly closed to prevent contamination or degradation.
Ensure the storage area is secure and well-marked, with appropriate spill containment measures.
Avoid storing with incompatible materials such as strong acids or oxidizing agents.
Reactivity and Stability of 1-Phenoxy-2-propanol:
Stability:
1-Phenoxy-2-propanol is generally stable under normal conditions of use and storage.
1-Phenoxy-2-propanol is stable in the presence of air and moisture but should be kept away from extreme temperatures and direct sunlight.
Reactivity:
1-Phenoxy-2-propanol is not highly reactive but should be kept away from strong acids, bases, and oxidizers to prevent possible reactions that could lead to hazardous situations.
Decomposes at high temperatures, which may release toxic gases.
First Aid Measures
Inhalation:
If inhaled, move the person to fresh air immediately.
Seek medical attention if symptoms persist, such as coughing, shortness of breath, or irritation.
Skin Contact:
Wash the affected area with soap and water for at least 15 minutes.
Remove contaminated clothing.
If irritation occurs, seek medical attention.
Eye Contact:
Immediately flush eyes with water for at least 15 minutes, lifting the upper and lower eyelids.
Seek medical attention if irritation persists.
Ingestion:
If swallowed, do not induce vomiting unless instructed by a medical professional.
Rinse mouth with water and drink water or milk to dilute.
Seek immediate medical attention.
Firefighting Measures of 1-Phenoxy-2-propanol:
Extinguishing Media:
Use water spray, foam, dry chemical, or carbon dioxide (CO₂) to extinguish fires.
Firefighting Instructions:
Wear self-contained breathing apparatus (SCBA) and full protective clothing to avoid exposure to hazardous combustion products.
Avoid direct water streams to prevent spreading of fire.
In the event of a fire, cool containers with water to prevent rupture.
Hazards from Combustion:
Combustion may produce harmful gases, such as carbon monoxide, carbon dioxide, and other toxic compounds.
Accidental Release Measures of 1-Phenoxy-2-propanol:
Personal Precautions:
Evacuate the area and ventilate.
Wear appropriate protective equipment, including gloves, goggles, and a respirator if necessary.
Environmental Precautions:
Prevent spillage from entering drains, sewers, or water sources.
If 1-Phenoxy-2-propanol contaminates waterways, notify the appropriate environmental authorities immediately.
Clean-Up:
Contain the spill with inert material (e.g., sand, earth) and collect it into a suitable container for disposal.
Clean the affected area thoroughly with water and detergents.
Ensure proper disposal according to local regulations for hazardous waste.
Exposure Controls/Personal Protective Equipment of 1-Phenoxy-2-propanol:
Occupational Exposure Limits:
Ensure that the concentration of 1-Phenoxy-2-propanol in the workplace does not exceed recommended exposure limits.
Refer to local regulatory guidelines for specific limits.
Engineering Controls:
Use local exhaust ventilation or mechanical ventilation to control airborne concentrations of 1-Phenoxy-2-propanol.
Personal Protective Equipment:
Eye Protection:
Wear safety goggles or face shield to prevent splashes into eyes.
Skin Protection:
Wear gloves, protective clothing, and boots to minimize skin contact.
Respiratory Protection:
If exposure limits are exceeded, wear an approved respirator (e.g., N95 or P100) for protection against inhalation of vapors or dust.
General Hygiene:
Wash hands and exposed skin thoroughly after handling 1-Phenoxy-2-propanol, especially before eating, drinking, or smoking.
Avoid direct contact with eyes and skin, and take necessary precautions to prevent inhalation of vapors or dust.
Identifiers of 1-Phenoxy-2-propanol:
CAS Number: 122-99-6
ChEBI: CHEBI:64275
ChEMBL: ChEMBL1229846
ChemSpider: 13848467
ECHA InfoCard: 100.004.173
PubChem CID: 31236
UNII: HIE492ZZ3T
CompTox Dashboard (EPA): DTXSID90873407 DTXSID9021976, DTXSID90873407
InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N
InChI=1/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Key: QCDWFXQBSFUVSP-UHFFFAOYAU
SMILES: c1ccc(cc1)OCCO
Product Number: P0118
Purity / Analysis Method: >95.0%(GC)
Molecular Formula / Molecular Weight: C9H12O2 = 152.19
Physical State (20 deg.C): Liquid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Air Sensitive
CAS RN: 770-35-4
Reaxys Registry Number: 1941356
PubChem Substance ID: 87574373
SDBS (AIST Spectral DB): 6395
MDL Number: MFCD00016861
Condition to Avoid: Air Sensitive
EC Number: 212-222-7
Physical State (20 deg.C): Liquid
PubChem Substance ID: 87574373
Purity(GC): min. 95.0 %
Reaxys Registry Number: 1941356
Refractive Index: 1.52
SDBS (AIST Spectral DB): 6395
Signal Word: Danger
Store Under Inert Gas: Store under inert gas
Quality Level: 100
Assay: ≥93%
impurities: <7% di(propylene glycol) phenyl ether
refractive index: n20/D 1.523 (lit.)
bp: 243 °C (lit.)
density: 1.064 g/mL at 20 °C (lit.)
SMILES string: CC(O)COc1ccccc1
InChI: 1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChI key: IBLKWZIFZMJLFL-UHFFFAOYSA-N
Properties of 1-Phenoxy-2-propanol:
Chemical formula: C8H10O2
Molar mass: 138.166 g·mol−1
Appearance: Colorless oily liquid
Odor: faint rose-like
Density: 1.102 g/cm3
Melting point: −2 °C (28 °F; 271 K)
Boiling point: 247 °C (477 °F; 520 K)
Solubility in water: 26 g/kg
Solubility: Chloroform, Alkali, diethyl ether: soluble
Solubility in peanut oil: slightly
Solubility in olive oil: slightly
Solubility in acetone: miscible
Solubility in ethanol: miscible
Solubility in glycerol: miscible
Vapor pressure: 0.001 kPa (0.00015 psi)
Thermal conductivity: 0.169 W/(m⋅K)
Refractive index (nD): 1.534 (20 °C)
Appearance: Colorless - slightly yellow, clear liquid
Boiling Point: 243 degrees C
Flash Point: 135 degrees C
Density: 1.060 - 1.068g/ml(20 degrees C)
Specific Gravity: 1.051
Refractive Index: 1.519 - 1.527(20 degrees C/D)
Molecular Weight: 136.19 g/mol
XLogP3: 1.9
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 2
Exact Mass: 136.088815002 Da
Monoisotopic Mass: 136.088815002 Da
Topological Polar Surface Area: 20.2Ų
Heavy Atom Count: 10
Complexity: 84.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Related compound of 1-Phenoxy-2-propanol:
phenetole
Names of 1-Phenoxy-2-propanol:
Preferred IUPAC name:
2-Phenoxyethan-1-ol
Other names:
Phenoxyethanol
Ethylene glycol monophenyl ether
Phenoxytolarosol
Dowanol EP / EPH
Protectol PE
Emery 6705
Rose ether
1-Hydroxy-2-phenoxyethane
β-hydroxyethyl phenyl ether
Phenyl cellosolve
Phenoxetol®