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Phenethyl isothiocyanate

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Identification
Molecular formula
C9H9NS
CAS number
2257-09-2
IUPAC name
1-isothiocyanatoethylbenzene
State
State

At room temperature, phenethyl isothiocyanate is a liquid. It is typically handled as an oil and may be dissolved in various solvents for use in chemical reactions or biological studies.

Melting point (Celsius)
-30.00
Melting point (Kelvin)
243.15
Boiling point (Celsius)
222.00
Boiling point (Kelvin)
495.15
General information
Molecular weight
163.25g/mol
Molar mass
163.2490g/mol
Density
1.0590g/cm3
Appearence

Phenethyl isothiocyanate appears as a pale yellow liquid. It has a distinctive sharp odor due to its isothiocyanate group, which is similar to mustard oil.

Comment on solubility

Solubility of 1-Isothiocyanatoethylbenzene

1-Isothiocyanatoethylbenzene, also known as ethylbenzyl isothiocyanate, is a compound that exhibits a notable solubility profile that can be interesting for various applications.

When discussing the solubility characteristics of this compound, it is important to consider several factors, including:

  • Polarity: The presence of the isothiocyanate group contributes to the overall polarity of the molecule, which can affect its solubility in polar solvents like water.
  • Aromatic Interactions: The benzene ring provides hydrophobic character. Thus, 1-isothiocyanatoethylbenzene may show solubility in organic solvents such as dichloromethane, toluene, or ethyl acetate.
  • Concentration: The solubility may also vary with the concentration of the compound in solution, influencing its ability to dissolve in different media.

In general, while 1-isothiocyanatoethylbenzene is expected to exhibit some solubility in organic solvents, its solubility in water is likely to be limited. This can restrict its usage in aqueous environments unless specific modifications or formulations are applied.

Ultimately, the solubility of 1-isothiocyanatoethylbenzene serves as an important factor to consider when exploring its potential in various fields, such as pharmaceuticals, agrochemicals, and chemical synthesis.

Interesting facts

Interesting Facts About 1-Isothiocyanatoethylbenzene

1-Isothiocyanatoethylbenzene, also known as phenethyl isothiocyanate, is an intriguing compound with unique properties and applications. Here are some key points that highlight its significance in the field of chemistry:

  • Chemical Structure: This compound features a distinct isothiocyanate functional group, which is responsible for many of its chemical reactivities. Its structure allows for potential applications in various fields, including medicinal chemistry and agriculture.

  • Biological Activity: 1-Isothiocyanatoethylbenzene is known to exhibit anti-cancer properties. Research suggests that isothiocyanates can induce apoptosis in cancer cells, making this compound a subject of interest for developing novel cancer therapeutics.

  • Natural Sources: This compound is often derived from cruciferous vegetables, such as broccoli and mustard greens. The presence of isothiocyanates in these vegetables has been linked to their health benefits, adding a nutritional perspective to the compound.

  • Industrial Uses: Beyond its biological implications, 1-isothiocyanatoethylbenzene can serve as a reagent in organic synthesis. Its unique functional group makes it valuable for producing various biologically active compounds, which are used in pharmaceuticals and agrochemicals.

  • Research Potential: Scientists are continuously exploring the properties of isothiocyanates, including their roles in mediating plant defense mechanisms. Understanding how they function can lead to advances in pest management and crop protection.

Overall, 1-Isothiocyanatoethylbenzene serves as an exciting example of how a single compound can play multiple roles across disciplines. As research continues, we may uncover even more fascinating applications and benefits derived from this compound.

Synonyms
(1-Isothiocyanatoethyl)benzene
alpha-Methylbenzyl isothiocyanate
DTXSID90947112
DTXCID101375378
667-449-8
679-466-8
1-Phenylethyl isothiocyanate
4478-92-6
32393-32-1
1-isothiocyanatoethylbenzene
DL-alpha-Methylbenzyl isothiocyanate
Benzene, (1-isothiocyanatoethyl)-
DL-.alpha.-Methylbenzyl isothiocyanate
(r)-(-)-1-phenylethyl isothiocyanate
L-alpha-Methylbenzyl isothiocyanate
NSC 221236
Benzene,(1-isothiocyanatoethyl)-
1-PHENYLETHYLISOTHIOCYANATE
dl-alpha-methylbenzylisothiocyanate
ISOTHIOCYANIC ACID, (alpha-METHYLBENZYL) ESTER
MFCD00022061
WLN: SCNY1&R
SCHEMBL156959
dl-A-Methylbenzyl isothiocyanate
CHEMBL2251720
(1-Isothiocyanatoethyl)benzene #
alpha-methyl benzyl isothiocyanate
(?)-1-Phenylethyl isothiocyanate
.alpha.-Methylbenzyl isothiocyanate
BBL012571
BDBM50073653
NSC221236
STK397869
D-.alpha.-Methylbenzyl isothiocyanate
L-.alpha.-Methylbenzyl isothiocyanate
AKOS000101073
AKOS017269392
NSC-221236
Benzene,[(1R)-1-isothiocyanatoethyl]-
PD138984
VS-03392
DB-070591
HY-131718
CS-0139291
Benzene, (1-isothiocyanatoethyl)-, (+/-)-
EN300-43612
Benzene, (1-isothiocyanatoethyl)-, (A+/-)-
G86037
Isothiocyanic acid, (.alpha.-methylbenzyl) ester
Z57358351