Octadecyl Isocyanate Octadecyl Isocyanate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:112-96-9

MDL number:MFCD00002041

EINECS number:204-019-7

RTECS number:NR0140000

BRN number:None

PubChem number:24858430

Physical property data

1. Properties: Colorless and slightly turbid liquid.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): 0.8625

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): 170

7. Flash point (ºC): 184

Toxicological data

This product is toxic. For its toxicity and protection, please refer to 4,4′-diphenylmethane diisocyanate.

Ecological data

None

Molecular structure data

1. Molar refractive index: 93.83

2. Molar volume (cm³/mol): 339.6

3. Isotonic specific volume (90.2K ): 805.8

4. Surface tension (dyne/cm): 31.7

5. Polarizability (10^-24cm³): 37.19

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 9.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 17

5. Number of tautomers: none

6. Topological molecule polar surface area 29.4

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 234

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

This product is toxic. For its toxicity and protection, please refer to 4,4′-diphenylmethane diisocyanate.
　

Storage method

This product is packed in galvanized iron drums and stored in a clean, dry, cool and ventilated warehouse. Be careful not to be exposed to rain or rain during transportation.Sun exposure. Store and transport according to regulations for flammable and toxic chemicals.

Synthesis method

It is obtained by reacting octadecylamine with phosgene in a chlorobenzene solvent to form octadecylamine amide, which is then decomposed by heating and distilled under reduced pressure.

Purpose

Mainly used as synthetic raw material for printing and dyeing auxiliaries and wool textile softener VS. Can also be used for waterproof fabric surface treatment.