ChemicalBook--->CAS DataBase List--->112-96-9

112-96-9

112-96-9 Structure

112-96-9 Structure
IdentificationMore
[Name]

Octadecyl isocyanate
[CAS]

112-96-9
[Synonyms]

1-isocyanato-octadecane
1-OCTADECYL ISOCYANATE
ISOCYANIC ACID N-OCTADECYL ESTER
ISOCYANIC ACID OCTADECYL ESTER
ISOCYANIC ACID STEARYL ESTER
N-OCTADECYL ISOCYANATE
OCTADECYL ISOCYANATE
STEARYL ISOCYANATE
STEARYLISOCYANATE 98
1-isocyanato-octadecan
75%
Baykanol OI
baykanoloi
Bykanol OI
millionateo
Mondur O
monduro
Octadecane,1-isocyanato-
odi
oi
[EINECS(EC#)]

204-019-7
[Molecular Formula]

C19H37NO
[MDL Number]

MFCD00002041
[Molecular Weight]

295.5
[MOL File]

112-96-9.mol
Chemical PropertiesBack Directory
[Melting point ]

15-16 °C (lit.)
[Boiling point ]

172-173 °C/5 mmHg (lit.)
[density ]

0.847 g/mL at 25 °C(lit.)
[vapor pressure ]

1 mm Hg ( 154 °C)
[refractive index ]

n20/D 1.45(lit.)
[Fp ]

365 °F
[storage temp. ]

2-8°C
[solubility ]

soluble in Benzene,Toluene
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Almost white or Almost colorless
[Specific Gravity]

0.86
[Sensitive ]

Moisture Sensitive
[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
[InChIKey]

QWDQYHPOSSHSAW-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCCCN=C=O
[CAS DataBase Reference]

112-96-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Octadecane, 1-isocyanato-(112-96-9)
[EPA Substance Registry System]

112-96-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H315-H317-H319-H334-H335
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

1
[RTECS ]

NR0140000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[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
[Safety Profile]

Poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.
[Toxicity]

LD50 intravenous in mouse: 100mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Octadecanamine-->softener VS-->Nonadecanoic acid-->Carbon disulfide-->Octadecylamine hydrochloride-->Triphosgene-->Toluene-->Octadecanamide-->Diphosgene-->Phosgene
[Preparation Products]

N-N-Octadecylurea
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Octadecyl isocyanate(112-96-9).msds
Hazard InformationBack Directory
[Chemical Properties]

It is a colorless, slightly turbid liquid at room temperature and is flammable. Its melting point is 21°C, boiling point is 170°C (266.7 Pa), relative density is 0.8625, and flash point is 184°C (open cup).

Preparation: Octadecylamine reacts with phosgene in chlorobenzene solvent to form octadecylamine chloride, which is then heated for decomposition and subjected to vacuum distillation. Raw material consumption: 1200 kg/t of octadecylamine, 1170 kg/t of phosgene, and 260 kg/t of chlorobenzene.

Uses: Primarily used as a synthetic raw material for printing and dyeing auxiliaries and the wool textile softener VS. It can also be used for surface treatment of waterproof fabrics.

[Uses]

Octadecyl Isocyanate is a useful reagent for the surface modification of poly(Me methacrylate) (PMMA) to form PMMA surfaces terminated with well-ordered and highly crystalline octadecane chains.
Spectrum DetailBack Directory
[Spectrum Detail]

Octadecyl isocyanate(112-96-9)IR1
Octadecyl isocyanate(112-96-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Octadecyl isocyanate, 98%(112-96-9)
[Sigma Aldrich]

112-96-9(sigmaaldrich)
[TCI AMERICA]

Octadecyl Isocyanate,>75.0%(GC)(112-96-9)
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