1-Isocyanatooctadecane

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Names

[ CAS No. ]:
112-96-9

[ Name ]:
1-Isocyanatooctadecane

[Synonym ]:
Octadecane, 1-isocyanato-
Baykanol OI
Isocyanic Acid Stearyl Ester
1-Isocyanatooctadecane
Octadecyl Isocyanate
n-octadecylisocyanate
1-Octadecyl isocyanate
EINECS 204-019-7
Stearyl Isocyanate
MFCD00002041
octadecylisocyanate
monduro
odi
Tonco-70
Bykanol OI
millionateo
n-octadecane-1-isocyanate
Isocyanic Acid Octadecyl Ester
Isocyanic Acid n-Octadecyl Ester
1-isocyanato-octadecane

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
317.7±5.0 °C at 760 mmHg

[ Melting Point ]:
15-16 °C(lit.)

[ Molecular Formula ]:
C19H37NO

[ Molecular Weight ]:
295.503

[ Flash Point ]:
144.9±10.0 °C

[ Exact Mass ]:
295.287506

[ PSA ]:
29.43000

[ LogP ]:
9.86

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.465

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR0140000
CHEMICAL NAME :
Isocyanic acid, octadecyl ester
CAS REGISTRY NUMBER :
112-96-9
BEILSTEIN REFERENCE NO. :
1791451
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C19-H37-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04505 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4368 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 15 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20;R36/37/38;R42

[ Safety Phrases ]:
S26-S36/37-S45

[ RIDADR ]:
UN 2206 6.1/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
NR0140000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triphosgene
  • Octadecanamine
  • Carbon disulphide
  • phosgene
  • Nonadecylic acid
  • octadecylamine hydrochloride
  • Diphosgene
  • octadecanoyl azide
  • Toluene

DownStream

  • N-OCTADECYL-N'-[3-(TRIETHOXYSILYL)PROPYL]UREA
  • n-Octadecane
  • Urea, N-octadecyl-
  • 2-methyl-N-octadecylaziridine-1-carboxamide
  • N,N'-dioctadecylsebacamide
  • N-octadecyloctadecanamide
  • [2-ethoxy-3-(octadecylcarbamoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
  • 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-octadecylurea
  • (3-hydroxy-2-methoxypropyl) N-octadecylcarbamate
  • dodecyl N-octadecylcarbamate

Articles

Thermal and mechanical properties of bio-nanocomposites reinforced by Luffa cylindrica cellulose nanocrystals.

Carbohydr. Polym. 91(2) , 711-7, (2013)

Cellulose nanocrystals have been prepared by acid hydrolysis of Luffa cylindrica fibers. The acid-resistant residue consisted of rod-like nanoparticles with an average length an diameter around 242 an...

New process of chemical grafting of cellulose nanoparticles with a long chain isocyanate.

Langmuir 26(1) , 402-11, (2010)

Cellulose nanocrystals (or whiskers) and microfibrillated cellulose (MFC) were successfully obtained from sisal fibers and modified with n-octadecyl isocyanate (C(18)H(37)NCO) using two different meth...

The effect of octadecyl chain immobilization on the hemocompatibility of poly (2-hydroxyethyl methacrylate).

Biomaterials 33(31) , 7677-85, (2012)

Albumin-scavenging surfaces decorated with n-alkyl chains represent an established strategy for blood-contacting applications. To evaluate this concept, a set of poly (2-hydroxyethyl methacrylate) (pH...


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Related Compounds

  • 1-isocyanatooctadecane
  • ethenol,1-isocyanatooctadecane
  • Aziridine,homopolymer,reaction products with 1-isocyanatooctadecane
  • 1-[2-(2-fluorobenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium,chloride
  • 1-[1-(5-chloro-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-1-ethanone
  • 1-Tridecanamine