Product Name

  • Name

    Pentyl isocyanate

  • EINECS
  • CAS No. 3954-13-0
  • Article Data1
  • CAS DataBase
  • Density 0.878
  • Solubility
  • Melting Point
  • Formula C6H11 N O
  • Boiling Point 136-137 ºC
  • Molecular Weight 113.159
  • Flash Point 32 ºC
  • Transport Information UN 3080
  • Appearance clear colorless liquid
  • Safety S16;S26;S36/37/39
  • Risk Codes R10;R20/21/22;R36/37/38   
  • Molecular Structure Molecular Structure of 3954-13-0 (Pentyl isocyanate)
  • Hazard Symbols
  • Synonyms Isocyanicacid, pentyl ester (6CI,7CI,8CI); 1-Isocyanatopentane; Amyl isocyanate; Pentylisocyanate; n-Pentyl isocyanate
  • PSA 29.43000
  • LogP 1.51240

Pentyl isocyanate Chemical Properties

Molecular Structure:

Molecular Formula: C6H11NO
Molecular Weight: 113.1576
IUPAC Name: 1-Isocyanatopentane
Synonyms of Pentyl isocyanate (CAS NO.3954-13-0): n-Pentyl isocyanate ; Pentane, 1-isocyanato-
CAS NO: 3954-13-0
Product Categories: Isocyanates ; Nitrogen Compounds ; Organic Building Blocks
Index of Refraction: 1.435
Molar Refractivity: 33.91 cm3
Molar Volume: 129.8 cm3
Surface Tension: 29.9 dyne/cm
Density: 0.87 g/cm3
Flash Point: 33.8 °C
Enthalpy of Vaporization: 34.92 kJ/mol
Boiling Point: 126.4 °C at 760 mmHg
Vapour Pressure of Pentyl isocyanate (CAS NO.3954-13-0): 14.1 mmHg at 25°C

Pentyl isocyanate Safety Profile

Hazard Codes of Pentyl isocyanate (CAS NO.3954-13-0): HarmfulXn
Risk Statements: 10-20/21/22-36/37/38-41 
R10:Flammable. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 16-26-36/37/39-45 
S16: Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3080 6.1/PG 2
WGK Germany: 3
HazardClass: 6.1
PackingGroup: II

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