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329746

Sigma-Aldrich

Octyl isocyanate

97%

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About This Item

Linear Formula:
CH3(CH2)7NCO
CAS Number:
3158-26-7
Molecular Weight:
155.24
EC Number:
221-598-1
MDL number:
MFCD00013887
UNSPSC Code:
12352100
PubChem Substance ID:
24859810
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.432 (lit.)

bp

200-204 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

functional group

amine
isocyanate

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

Related Categories

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

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

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 Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

329746-5G:
329746-VAR:
329746-BULK:
329746-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ1486
MKCP5106
MKCN8797
MKCN3864
MKCN2231

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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
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
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
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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