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Merck
CN

556270

Decyl isocyanate

98%

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About This Item

Linear Formula:
CH3(CH2)9NCO
CAS Number:
Molecular Weight:
183.29
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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Product Name

Decyl isocyanate, 98%

InChI

1S/C11H21NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3

SMILES string

CCCCCCCCCCN=C=O

InChI key

XFEWMFDVBLLXFE-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.4360 (lit.)

bp

85-89 °C (lit.)

density

0.880 g/mL at 25 °C (lit.)

functional group

amine
isocyanate

Application

Decyl isocyanate may be used to synthesize the following potential proteasome inhibitors:
  • decyl-urea-Val-NHNHBoc
  • decyl-urea-Val-Leu2-VS
  • decyl-urea-Val-Leu2-EK
(EK = epoxyketone, Val = valine, Boc = tert-butyloxycarbonyl protecting group, Leu = leucine, VS = vinyl sulfones)

General description

Decyl isocyanate is a linear alkyl isocyanate. It can be synthesized from decylamine.

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

WGK 3

flash_point_f

195.1 °F - closed cup

flash_point_c

90.6 °C - closed cup

ppe

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

Regulatory Information

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Wouter A van der Linden et al.
Organic & biomolecular chemistry, 10(1), 181-194 (2011-11-23)
Syringolins, a class of natural products, potently and selectively inhibit the proteasome and show promising antitumour activity. To gain insight in the mode of action of syringolins, the ureido structural element present in syringolins is incorporated in oligopeptide vinyl sulfones

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