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253790

Sigma-Aldrich

Butyl isothiocyanate

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
Beilstein:
906839
EC Number:
209-770-4
MDL number:
MFCD00004824
UNSPSC Code:
12352100
PubChem Substance ID:
24855329
NACRES:
NA.22

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

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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.

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD0998
BCBZ3881
BCBS7359V
BCBM8222V
BCBL6387V

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Phenyl isothiocyanate reagent grade, 98%

Sigma-Aldrich

139742

Phenyl isothiocyanate

DL-Sulforaphane ≥90% (HPLC), synthetic, liquid

Sigma-Aldrich

S4441

DL-Sulforaphane

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
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
P Mela et al.
Lab on a chip, 5(2), 163-170 (2005-01-27)
This paper describes the integration of opto-chemosensors in microfluidics networks. Our technique exploits the internal surface of the network as a platform to build a sensing system by coating the surface with a self-assembled monolayer and subsequently binding a fluorescent
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
Antonietta Melchini et al.
Journal of medicinal chemistry, 55(22), 9682-9692 (2012-09-25)
Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC, 2-(2-pyridyl) ethyl ITC (PY-ITC), and assessed its chemopreventive ability in comparison to sulforaphane
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