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253731

Sigma-Aldrich

Phenethyl isothiocyanate

99%

Synonym(s):

2-Phenylethyl isothiocyanate

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5 G
$57.47

About This Item

Linear Formula:
C6H5CH2CH2NCS
CAS Number:
Molecular Weight:
163.24
Beilstein/REAXYS Number:
2084162
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

$57.47

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In StockDetails


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assay

99%

form

liquid

refractive index

n20/D 1.5888 (lit.)

bp

139-140 °C/11 mmHg (lit.)

density

1.094 g/mL at 25 °C (lit.)

functional group

amine
isothiocyanate
phenyl

storage temp.

2-8°C

SMILES string

S=C=NCCc1ccccc1

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

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This Item
W401404252492253790
assay

99%

assay

-

assay

98%

assay

99%

Quality Level

100

Quality Level

400

Quality Level

200

Quality Level

200

refractive index

n20/D 1.5888 (lit.)

refractive index

n20/D 1.5888 (lit.)

refractive index

n20/D 1.601 (lit.)

refractive index

n20/D 1.5 (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

-

form

liquid

form

-

form

liquid

form

liquid

bp

139-140 °C/11 mmHg (lit.)

bp

139-140 °C/11 mmHg (lit.)

bp

242-243 °C (lit.)

bp

70-71 °C/35 mmHg (lit.)

General description

Phenethyl isothiocyanate is a naturally occurring isothiocyanate in cruciferous vegetables. Phenethyl isothiocyanate is a chemopreventive agent[1]. It inhibits cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models[2].

pictograms

Health hazardExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Questions

1–3 of 3 Questions  
  1. What is the recommended method for diluting item 253731, Phenethyl isothiocyanate?

    1 answer
    1. The product Phenethyl isothiocyanate is soluble in ethanol and DMSO.

      Helpful?

  2. What is the Department of Transportation shipping information for this product?

    1 answer
    1. Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product.

      Helpful?

  3. What is the molarity of Product 253731, Phenethyl isothiocyanate?

    1 answer
    1. Product 253731, Phenethyl isothiocyanate, is a neat liquid rather than a solution. The apparent molarity may be calculated by dividing the density by the molecular weight. Using a density of 1.094 g/ml, or 1094 g/L and molecular weight of 163.24 g/mole, the molarity is 6.70 moles/L.

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