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Merck
CN

W408201

Butyl isothiocyanate

≥98.5%

Synonym(s):

n-Butyl mustard oil, NSC 194808

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About This Item

Linear Formula:
CH3(CH2)3NCS
CAS Number:
592-82-5
Molecular Weight:
115.20
Flavis number:
12.107
PubChem Substance ID:
24901977
UNSPSC Code:
12164502
FEMA Number:
4082
EC Number:
209-770-4
MDL number:
MFCD00004824
Beilstein/REAXYS Number:
906839

Key Documents

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assay

≥98.5%

refractive index

n20/D 1.5 (lit.)

bp

70-71 °C/35 mmHg (lit.)

solubility

H2O: insoluble, alcohol: soluble, oil: soluble

density

0.955 g/mL at 25 °C (lit.)

SMILES string

CCCCN=C=S

InChI

1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

InChI key

LIMQQADUEULBSO-UHFFFAOYSA-N

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Application

Possible uses: wasabi, horseradish, salad dressings, onion and garlic notes, tropical fruit nuances.

Biochem/physiol Actions

Odor at 1.0%: slightly pungent, rooty mustard, horseradish and wasabi-like; sulfurous onion and garlic note with a tropical nuance.
Taste at 0.5-5 ppm: horseradish and vegetative cabbage-like; rooty, wasabi radish-like notes; biting and metallic aftertaste.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
04403ME
01022BE
08420BE

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Mosciano, Gerard
Perfumer & Flavorist, 33, 66-66 (2008)

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