1-(4-Phenoxyphenoxy)-2-propanol

Basic Information

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CAS Number

57650-78-9

Molecular Formula

C15H16O3

Molecular Weight

244.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)O

InChI

InChI=1S/C15H16O3/c1-12(16)11-17-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3

InChIKey

RVAHBQKJLFMRFE-UHFFFAOYSA-N

LogP

3.238500000000001

Topological Polar Surface Area

38.69 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

218

Synonyms & References

English

57650-78-9
SCHEMBL1496544
1-methyl-2-(4-phenoxyphenoxy)ethanol
RVAHBQKJLFMRFE-UHFFFAOYSA-N
AKOS011043460
(rs)-2-hydroxypropyl 4-phenoxyphenyl ether
1-(4-phenoxyphenoxy)propan-2-ol
CS-0312364
1-(4-PHENOXYPHENOXY)-2-PROPANOL
(R,S)-2-hydroxypropyl 4-phenoxyphenyl ether
POPA

MDL Number

MFCD00187185

FAQ

What are the physical and chemical properties of 1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9)?

1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9) is a colorless to light yellow liquid with a molecular weight of approximately 276.26 g/mol. It has a pKa of around 14.5 and is moderately soluble in water but miscible with most organic solvents. The compound is not highly reactive but can undergo hydrolysis in the presence of water. It is stable under normal storage conditions but should be protected from strong oxidizers and acids.

How is 1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9) typically synthesized?

1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9) is typically synthesized via a multistep organic synthesis, involving the preparation of an aryl halide followed by a nucleophilic substitution reaction with 2-bromopropane. The reaction is conducted under basic conditions, and the use of a phase transfer catalyst can enhance the yield and selectivity. The overall process is optimized for high purity and yield, making it suitable for industrial applications.

What industries use 1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9)?

1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It is also employed in the production of colorants and in the formulation of some industrial polymers. Additionally, it has potential applications in sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling 1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9)?

When handling 1-(4-Phenoxyphenoxy)-2-propanol (CAS: 57650-78-9), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.