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O1807

Sigma-Aldrich

Octadecyl isocyanate

technical grade

Synonym(s):

1-Isocyanatooctadecane, ODI, Stearyl isocyanate, n-Octadecyl isocyanate

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About This Item

Linear Formula:
CH3(CH2)17NCO
CAS Number:
112-96-9
Molecular Weight:
295.50
EC Number:
204-019-7
MDL number:
MFCD00002041
UNSPSC Code:
12352100
PubChem Substance ID:
24897951
NACRES:
NA.22

grade

technical grade

vapor pressure

1 mmHg ( 154 °C)

refractive index

n20/D 1.45 (lit.)

bp

172-173 °C/5 mmHg (lit.)

mp

15-16 °C (lit.)

density

0.847 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCCCCCCCCCCCCCCCCCN=C=O

InChI

1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3

InChI key

QWDQYHPOSSHSAW-UHFFFAOYSA-N

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Application

Octadecyl isocyanate can be used as a modifier:
  • For cellulose nanocrystals in the synthesis of poly(butylene adipate-co-terephthalate) (PBAT) based nanocomposites with improved mechanical and rheological properties.
  • For lignin to effectively incorporate the lignin fillers in polyurethane matrix to prepare composites.

It can be reacted with various amines to synthesize variety of unsymmetrical urea derivatives.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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 Code

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

WGK

WGK 1

Flash Point(F)

300.2 °F - closed cup

Flash Point(C)

149 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Studies toward a library of tetrahydrofurans: Click and MCR products of mono-and bis-tetrahydrofurans.
Mishra JK, et al.
Journal of Combinatorial Chemistry, 12(5), 609-612 (2010)
Mechanical, rheological and degradation properties of PBAT nanocomposites reinforced by functionalized cellulose nanocrystals.
Pinheiro IF, et al.
European Polymer Journal, 97, 356-365 (2017)
High bio-content polyurethane composites with urethane modified lignin as filler.
Zhang C, et al.
Polymer, 69, 52-57 (2015)
The synthesis of catechol and 8-hydroxyquinoline derivatives with short peptide-type side chains: Metal complex ligands with additional receptor properties.
Albrecht M, et al.
Synthesis, 2003(07), 1105-1111 (2003)

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