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89983

Benzyl isothiocyanate

analytical standard

Synonym(s):

Benzyl mustard oil, Isothiocyanotaomethylbenzene

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About This Item

Linear Formula:
C6H5CH2NCS
CAS Number:
622-78-6
Molecular Weight:
149.21
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329769572
EC Number:
210-753-9
Beilstein/REAXYS Number:
386135
MDL number:
MFCD00004819
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grade

analytical standard

Quality Segment

assay

≥98.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, chromatography: suitable, gas chromatography (GC): suitable

impurities

≤0.5% water

refractive index

n20/D 1.601 (lit.), n20/D 1.602-1.605

bp

242-243 °C (lit.)

density

1.125 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

S=C=NCc1ccccc1

InChI

1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

InChI key

MDKCFLQDBWCQCV-UHFFFAOYSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

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

Flash Point (°F)

222.8 °F

Flash Point (°C)

106 °C

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