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Phenethyl isothiocyanate

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Identification
Molecular formula
C9H9NS
CAS number
2257-09-2
IUPAC name
2-isothiocyanatoethylbenzene
State
State
Phenethyl isothiocyanate is typically found in a liquid state at room temperature.
Melting point (Celsius)
-4.00
Melting point (Kelvin)
269.15
Boiling point (Celsius)
221.00
Boiling point (Kelvin)
494.15
General information
Molecular weight
163.25g/mol
Molar mass
163.2480g/mol
Density
1.0197g/cm3
Appearence

Phenethyl isothiocyanate is a colorless to pale yellow liquid with a pungent odor.

Comment on solubility

Solubility of 2-isothiocyanatoethylbenzene

2-isothiocyanatoethylbenzene, with the chemical formula C10H10N2S, presents interesting characteristics in terms of solubility. Understanding its solubility behavior is crucial for various applications in fields like chemistry and pharmacology.

The solubility of 2-isothiocyanatoethylbenzene can be influenced by several factors:

  • Polarity: As a compound containing a thiocyanate functional group, 2-isothiocyanatoethylbenzene shows moderate polarity. This might affect its solubility in both polar and non-polar solvents.
  • Solvent Interaction: It is likely to exhibit different solubility in organic solvents compared to aqueous solutions. Generally, non-polar solvents such as hexane may dissolve it better than polar solvents like water.
  • Temperature Effects: The solubility may vary with temperature; higher temperatures often increase solubility for many organic compounds.

In summary, while specific solubility data for 2-isothiocyanatoethylbenzene is limited, it is essential to consider factors such as polarity, solvent types, and temperature when predicting its solubility behavior. This compound offers a fascinating case study in solubility, particularly for those interested in the interactions of thiocyanate compounds.

Interesting facts

Interesting Facts about 2-Isothiocyanatoethylbenzene

2-Isothiocyanatoethylbenzene, also known as phenethyl isothiocyanate, is a fascinating compound belonging to the class of isothiocyanates. Here are some intriguing aspects of this compound:

  • Natural Occurrence: This compound can be derived from the hydrolysis of glucosinolates found in cruciferous vegetables, such as broccoli and mustard. It plays a role in the pungent taste and defensive properties of these plants.
  • Biological Activities: Research has shown that isothiocyanates exhibit several biological properties, including anti-cancer effects, anti-inflammatory activity, and the potential to halt the growth of pathogens.
  • Synthesis: Chemists often synthesize 2-isothiocyanatoethylbenzene through the reaction of phenethylamine with thiophosgene. This synthesis process highlights the strategic approach of synthesizing compounds with desirable biological activities for pharmaceutical research.
  • Applications: Beyond its biological activities, this compound is also of interest in the development of agrochemicals and food additives. Its ability to repel pests makes it an attractive candidate for ecological pest control strategies.
  • Isothiocyanate Family: 2-Isothiocyanatoethylbenzene is part of a larger family of isothiocyanates, which have gained attention due to their potential health benefits. For instance, compounds like sulforaphane, primarily found in cruciferous vegetables, are renowned for their ability to activate detoxifying enzymes in the body.

In summary, 2-isothiocyanatoethylbenzene is more than just a chemical compound; it is a valuable subject of study that bridges chemistry, biology, and agriculture. Its diverse applications and intriguing properties exemplify the profound links between chemistry and health, making it a noteworthy compound in the scientific community.

Synonyms
2-Phenylethyl isothiocyanate
Phenethyl isothiocyanate
2257-09-2
Phenylethyl isothiocyanate
(2-Isothiocyanatoethyl)benzene
Benzene, (2-isothiocyanatoethyl)-
PEITC
Phenylaethylsenfoel
PHENETHYLISOTHIOCYANATE
ISOTHIOCYANIC ACID, PHENETHYL ESTER
2-phenethyl isothiocyanate
beta-Phenylethyl isothiocyanate
.beta.-Phenylethyl isothiocyanate
CHEBI:351346
6U7TFK75KV
beta-Phenethyl isothiocyanate
Phenylaethylsenfoel [German]
NSC 87868
CCRIS 3146
DTXSID5021120
EINECS 218-855-5
NSC-87868
BRN 2084162
DTXCID901120
FEMA NO. 4014
NSC87868
PHENETHYL ISOTHIOCYANATE [MI]
PHENYLETHYL ISOTHIOCYANATE [FHFI]
4-12-00-02476 (Beilstein Handbook Reference)
2Phenylethyl isothiocyanate
betaPhenethyl isothiocyanate
betaPhenylethyl isothiocyanate
(2Isothiocyanatoethyl)benzene
Benzene, (2isothiocyanatoethyl)
218-855-5
130638
2-isothiocyanatoethylbenzene
phenethyl-isothiocyanate
MFCD00004821
CHEMBL151649
.beta.-Phenethyl isothiocyanate
1-Isothiocyanato-2-phenylethane
Isothiocyanic Acid 2-Phenylethyl Ester
2-phenylethylisothiocyanate
1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4)
2-Phenylethyl Isothiocyanate; (2-Isothiocyanatoethyl)benzene; Phenethyl Mustard Oil;
WLN: SCN2R
ss-Phenethyl isothiocyanate
Epitope ID:138724
UNII-6U7TFK75KV
SCHEMBL156960
Phenethyl isothiocyanate, 99%
IZJDOKYDEWTZSO-UHFFFAOYSA-
(2-Isothiocyanato-ethyl)-benzene
(2-Isothiocyanatoethyl)benzene #
1-(2-isothiocyanatoethyl)benzene
2-Phenylethyl isothiocyanate, FG
HMS1783C17
HMS3870G13
Tox21_200100
(2-Isothiocyanatoethyl)benzene, 9CI
BBL009999
BDBM50240850
STK397325
AKOS000119469
DB12695
FP08224
JC-5411
NCGC00248526-01
NCGC00257654-01
AC-12769
AS-17373
BP-12941
DA-66670
HY-23155
NCI60_041942
CAS-2257-09-2
DB-045947
Isothiocyanic acid .beta.-phenylethyl ester
NS00013118
P0986
Phenethyl isothiocyanate, analytical standard
EN300-17386
D92051
Q7181339
BRD-K56700933-001-02-1
BRD-K56700933-001-03-9
Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate
Z56924472
F0001-0795
InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2