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253790

Butyl isothiocyanate

Name: Butyl isothiocyanate
Brand: ALDRICH

99%

Synonym(s):

NSC 194808

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About This Item

Linear Formula:

CH₃(CH₂)₃NCS

CAS Number:

592-82-5

Molecular Weight:

115.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855329

EC Number:

209-770-4

Beilstein/REAXYS Number:

906839

MDL number:

MFCD00004824

Assay:

99%

Form:

liquid

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Properties

Quality Level

200

assay

99%

form

liquid

refractive index

n20/D 1.5 (lit.)

bp

70-71 °C/35 mmHg (lit.)

density

0.955 g/mL at 25 °C (lit.)

functional group

amine, isothiocyanate

SMILES string

CCCCN=C=S

InChI

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

InChI key

LIMQQADUEULBSO-UHFFFAOYSA-N

Description

General description

Butyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa.

Application

Butyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer.

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pictograms

GHS08,GHS05,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H314,H317,H334

pcodes

P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic 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

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Allyl-, butyl- and phenylethyl-isothiocyanate activate Nrf2 in cultured fibroblasts.

Insa M A Ernst et al.

Pharmacological research, 63(3), 233-240 (2010-11-27)

The isothiocyanate sulforaphane (SFN) has been shown to induce phase 2 and antioxidant enzymes in cultured cells and in vivo via a Nrf2 dependent signal transduction pathway. However, little is known regarding the effect of structurally related compounds such as

Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification.

Nancy Frank et al.

Journal of agricultural and food chemistry, 58(6), 3700-3707 (2010-02-26)

The present paper describes the development of an analytical method for the semiquantitative analysis of 3-butenyl isothiocyanate in mustard seeds, this compound being linked to an undesirable (at least for the European palate) off-flavor. 3-Butenyl isothiocyanate is one of the

Spectral studies of tert-butyl isothiocyanate-inactivated P450 2E1.

U M Kent et al.

Biochemistry, 40(24), 7253-7261 (2001-06-13)

Inactivation of cytochrome P450 2E1 by tert-butyl isothiocyanate (tBITC) resulted in a loss in the spectrally detectable P450-reduced CO complex. The heme prosthetic group does not appear to become modified, since little loss of the heme was observed in the

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Global Trade Item Number

SKU	GTIN
253790-5G	04061825982380
253790-25G	04061825982359