CAS 2086-86-4

4-Hydroxybenzyl isothiocyanate

Description:

4-Hydroxybenzyl isothiocyanate is an organic compound characterized by the presence of both a hydroxyl group and an isothiocyanate functional group. It is derived from the hydrolysis of glucosinolates found in cruciferous vegetables. This compound typically appears as a pale yellow to brownish liquid or solid, depending on its purity and form. It is known for its potential biological activities, including anti-cancer properties, as it can induce apoptosis in certain cancer cell lines. Additionally, 4-hydroxybenzyl isothiocyanate exhibits antimicrobial and anti-inflammatory effects, making it of interest in pharmaceutical and nutraceutical research. The compound is soluble in organic solvents and has limited solubility in water, which influences its bioavailability and application in various formulations. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or mucous membranes. Overall, 4-hydroxybenzyl isothiocyanate represents a significant area of study for its potential health benefits and applications in food science and medicine.

Formula: C₈H₇NOS

InChI: InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2

InChI key: InChIKey=ATKWJXUJUNLTFU-UHFFFAOYSA-N

SMILES: C(N=C=S)C1=CC=C(O)C=C1

Synonyms:

• 4-Hydroxybenzyl isothiocyanate
• Isothiocyanic acid, p-hydroxybenzyl ester
• Phenol, 4-(Isothiocyanatomethyl)-
• p-Hydroxybenzyl isocyanate
• p-Hydroxybenzyl isothiocyanate
• para-Hydroxybenzyl isothiocyanate
• 4-(Isothiocyanatomethyl)phenol

4-Hydroxybenzyl Isothiocyanate

CAS: 2086-86-4

Formula: C₈H₇NOS

Color and Shape: Solid

Molecular weight: 165.2123

Ref: IN-DA002JTK

4-Hydroxybenzyl isothiocyanate

CAS: 2086-86-4

4-Hydroxybenzyl isothiocyanate (4HBITC) is a reactive compound that has been shown to be capable of reacting with sodium carbonate and mercuric chloride. It reacts with the reaction products to form acidic products, which can be analyzed using analytical methods. 4HBITC has been shown to have physiological effects on mice, such as inhibiting the growth of cancer cells. 4HBITC also inhibits mitochondrial membrane potential, which may lead to apoptosis. This compound is derived from plants in the brassicaceae family, such as broccoli and cauliflower. The glucosinolates found in these plants are broken down by myrosinase enzymes into p-hydroxybenzoic acid and 4HBITC.

Formula: C₈H₇NOS

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 165.21 g/mol

Ref: 3D-FH24313

4-Hydroxybenzyl Isothiocyanate

CAS: 2086-86-4

Stability Light and Temperature Sensitive
Applications Antitumor. Human erythroleukemic K562 cells.
References Leoni, O., et al.: Bioorg. Med. Chem., 5, 1799 (1997),

Formula: C₈H₇NOS

Color and Shape: Neat

Molecular weight: 165.21

Ref: TR-H829680