ChemicalBook--->CAS DataBase List--->3158-26-7

3158-26-7

3158-26-7 Structure

3158-26-7 Structure
IdentificationMore
[Name]

Octyl isocyanate
[CAS]

3158-26-7
[Synonyms]

1-OCTYL ISOCYANATE
N-OCTYL ISOCYANATE
OCTYL ISOCYANATE
1-isocyanato-octan
Isocyanic acid, octyl ester
Octane, 1-isocyanato-
8-Isocyanatooctane
[EINECS(EC#)]

221-598-1
[Molecular Formula]

C9H17NO
[MDL Number]

MFCD00013887
[Molecular Weight]

155.24
[MOL File]

3158-26-7.mol
Chemical PropertiesBack Directory
[Appearance]

turbid milky to light yellow liquid
[Boiling point ]

200-204 °C(lit.)
[density ]

0.88 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

160 °F
[form ]

Liquid
[color ]

Turbid milky to light yellow
[Specific Gravity]

0.88
[Water Solubility ]

DECOMPOSES
[Sensitive ]

Moisture Sensitive
[CAS DataBase Reference]

3158-26-7(CAS DataBase Reference)
[EPA Substance Registry System]

3158-26-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Octyl isocyanate(3158-26-7).msds
Hazard InformationBack Directory
[Chemical Properties]

turbid milky to light yellow liquid
[Uses]

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
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 60, p. 257, 1995 DOI: 10.1021/jo00106a044
Synthesis, p. 907, 1987
[General Description]

Octyl isocyanate was reported to inactivate serine proteinase, chymotrypsin.
Spectrum DetailBack Directory
[Spectrum Detail]

Octyl isocyanate(3158-26-7)1HNMR
Octyl isocyanate(3158-26-7)Raman
Octyl isocyanate(3158-26-7)IR
Octyl isocyanate(3158-26-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Octyl isocyanate, 99%(3158-26-7)
[Alfa Aesar]

1-Octyl isocyanate, 97%(3158-26-7)
[Sigma Aldrich]

3158-26-7(sigmaaldrich)
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