Butyl isocyanate

Butyl isocyanate
	Skeletal formula of Butyl isocyanate
Names
	IUPAC name 1-isocyanatobutane
	Other names 1-butyl isocyanate; n-butyl isocyanate; BIC;
Identifiers
CAS Number	111-36-4;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:136519;
ChemSpider	7819;
ECHA InfoCard	100.003.512
EC Number	203-862-8;
Gmelin Reference	662892
PubChem CID	8110;
UNII	XM89T89J3W;
CompTox Dashboard (EPA)	DTXSID6026872;
	InChI InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3 Key: HNHVTXYLRVGMHD-UHFFFAOYSA-N;
	SMILES CCCCN=C=O;
Properties
Chemical formula	C5H9NO
Molar mass	99.133 g·mol−1
Appearance	colourless liquid with a pungent odor
Density	0.89 g/cm3
Melting point	−75 °C (−103 °F; 198 K)
Boiling point	115 °C (239 °F; 388 K)
Solubility in water	decomposes in water
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H224, H225, H302, H311, H314, H317, H330, H334, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)	3 3 2
Related compounds
Related compounds	Methyl isocyanate; Ethyl isocyanate; Propyl isocyanate; Pentyl isocyanate;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Butyl isocyanate is an organic chemical compound of carbon, hydrogen, nitrogen, and oxygen with the linear formula CH₃(CH₂)₃NCO.^[2] This is the butyl ester of isocyanic acid.^[3]

Synthesis

Butyl isocyanate is usually produced by the reaction between n-butylamine and phosgene.^[4]^[5]

Physical properties

Butyl isocyanate is a highly reactive chemical compound. Like isocyanic acid and other isocyanates, it is highly toxic. Butyl isocyanate polymerizes upon heating.^[6]

The compound forms colourless, tear-inducing liquid with a pungent odor.^[7]

Chemical properties

Propyl isocyanate decomposes in water, alcohols, and acids. Also decomposes on burning.^[8] Butyl isocyanate can be anionically polymerized into poly(butyl isocyanate) when lanthanum isopropoxide is used as the initiator.^[3]

Uses

The compound is used in production of other chemicals.

References

^ PubChem. "Butyl isocyanate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-01-20.
^ "Butyl isocyanate". TCI Chemicals. Retrieved 20 January 2026.
^ ^a ^b "B95736 Butyl isocyanate". Sigma Aldrich. Retrieved 20 January 2026.
^ Ashford, Robert D. (2001). Ashford's dictionary of industrial chemicals (2. ed.). London: Wavelength Publications. p. 189. ISBN 0-9522674-2-X. Retrieved 20 January 2026.
^ "Butylisocyanate - Preparation Method". chembk.com. Retrieved 20 January 2026.
^ Watts, Henry; Morley, Henry Forster; Muir, Matthew Moncrieff Pattison (1889). Watts' Dictionary of Chemistry. Longmans, Green. p. 315. Retrieved 20 January 2026.
^ "N-BUTYL ISOCYANATE" (PDF). NJ.gov. Retrieved 20 January 2026.
^ "ICSC 1642 - n-BUTYL ISOCYANATE". inchem.org. Retrieved 20 January 2026.

[1] PubChem. "Butyl isocyanate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-01-20.

[2] "Butyl isocyanate". TCI Chemicals. Retrieved 20 January 2026.

[SA-3] "B95736 Butyl isocyanate". Sigma Aldrich. Retrieved 20 January 2026.

[4] Ashford, Robert D. (2001). Ashford's dictionary of industrial chemicals (2. ed.). London: Wavelength Publications. p. 189. ISBN 0-9522674-2-X. Retrieved 20 January 2026.

[5] "Butylisocyanate - Preparation Method". chembk.com. Retrieved 20 January 2026.

[6] Watts, Henry; Morley, Henry Forster; Muir, Matthew Moncrieff Pattison (1889). Watts' Dictionary of Chemistry. Longmans, Green. p. 315. Retrieved 20 January 2026.

[7] "N-BUTYL ISOCYANATE" (PDF). NJ.gov. Retrieved 20 January 2026.

[8] "ICSC 1642 - n-BUTYL ISOCYANATE". inchem.org. Retrieved 20 January 2026.

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