Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate

Basic Information

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CAS Number

72490-01-8

Molecular Formula

C17H19NO4

Molecular Weight

301.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

53-54°

Boiling Point

442.47°C (rough estimate)

Density

1.1222 (rough estimate)

Refractive Index

1.5400 (estimate)

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2

InChI

InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

InChIKey

HJUFTIJOISQSKQ-UHFFFAOYSA-N

LogP

3.6038000000000023

Topological Polar Surface Area

56.790000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Safety Information

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Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats (mg/kg): 9220 i.p.; 16800 orally (Dorn)

Synonyms & References

English

Ethyl (2-(4-phenoxyphenoxy)ethyl)carbamate
Fenoxycarb
Ethyl 2-(4-phenoxyphenoxy)ethylcarbamate
ABG-6215
FENOXYXARB
ethyl (2-(4-phenoxyphenoxy)ethyl)carbamate

MDL Number

MFCD00144303

Customs Code

2922499917

FAQ

What are the physical and chemical properties of Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8)?

Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8) is a crystalline compound with a molecular weight of approximately 350.31 g/mol. It has a low water solubility and is slightly soluble in common organic solvents such as ethanol and acetone. The compound is relatively stable under normal conditions but can hydrolyze in basic environments. It exhibits low reactivity in general chemical reactions.

How is Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8) typically synthesized?

Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8) is typically synthesized through a multi-step process involving the formation of a phenoxy intermediate, followed by its coupling with ethyl isocyanate. The synthesis employs mild conditions, using catalytic amounts of a Lewis acid as a catalyst. The overall yield is good, with high regioselectivity and good purity of the final product.

What industries use Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8)?

Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8) is used in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients. It also finds applications in the polymer industry as a monomer for the production of specific polymers with unique physicochemical properties. Additionally, it is used in the development of sensors and in the semiconductor industry for specific chemical processing steps.

What precautions should be taken when handling Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8)?

When handling Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate (CAS: 72490-01-8), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be rinsed with water. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.