329746

Sigma-Aldrich

Octyl isocyanate

97%

Linear Formula:
CH3(CH2)7NCO
CAS Number:
Molecular Weight:
155.24
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

refractive index

n20/D 1.432 (lit.)

bp

200-204 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCN=C=O

InChI

1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3

InChI key

DYQFCTCUULUMTQ-UHFFFAOYSA-N

General description

Octyl isocyanate was reported to inactivate serine proteinase, chymotrypsin.

Application

Octyl isocyanate was used to suppress side reactions such as backbiting or chain transfer reaction during polymerization reactions. It was also used in the synthesis of:
  • low molar mass organogelator containing 2-(2′-hydroxyphenyl)benzoxazole (HPB) unit with long alkyl chain
  • N-octylurea
  • N-cyclopropyl-N′-octylurea

Packaging

5, 25 g in glass bottle

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

Xn

Risk Statement

22-36/37/38-42

Safety Statement

23-26-36-45

RIDADR

UN 2206PSN1B 6.1 / PGIII

WGK Germany

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Tae Hyeon Kim et al.
Journal of nanoscience and nanotechnology, 10(10), 6929-6933 (2010-12-09)
A low molar mass organogelator 1 containing 2-(2'-hydroxyphenyl)benzoxazole (HPB) unit with long alkyl chain was synthesized by the reaction with HPB and octyl isocyanate in THF at room temperature. A new chelate-based organogelator 1-Zn(II) was prepared with the reaction of...
W E Brown et al.
Science (New York, N.Y.), 174(4009), 608-610 (1971-11-05)
Alkyl isocyanates react specifically with the two serine proteinases, chymotrypsin and elastase, to yield inactive enzyme derivatives containing 1 male of reagent per mole of enzyme. Octyl isocyanate inactivates chymotrypsin only, while butyl isocyanate inactivates both enzymes but shows greater...
C Morisseau et al.
Chemical research in toxicology, 14(4), 409-415 (2001-04-17)
The microsomal epoxide hydrolase (mEH) plays a significant role in the metabolism of xenobiotics such as polyaromatic toxicants. Additionally, polymorphism studies have underlined a potential role of this enzyme in relation to several diseases, such as emphysema, spontaneous abortion, and...
Anionic polymerization of isocyanates with optical functionalities.
Shin YD, et al.
Polymer, 42(19), 7979-7985 (2001)
Isocyanate binding to yeast glutathione reductase measured by fluorescence spectroscopy.
K J Baylor et al.
Biochemical Society transactions, 25(1), 47S-47S (1997-02-01)

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