1,4-Diisocyanatobutane (CED0021708)

Record Information

Version

1.0

Creation Date

2026-04-06 12:37:57 UTC

Update Date

2026-08-23 15:07:49 UTC

Accession Number

CHEM124675

Identification

Common Name

1,4-Diisocyanatobutane

Class

Small Molecule

Description

1,4-Diisocyanatobutane is an organic nitrogen compound with the chemical formula C6H8N2O2 and an average molecular weight of 140.14 g/mol. 1,4-Diisocyanatobutane belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. This compound is found in or released from 15 recorded sources across various sectors. In the category of electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, coils, cores yokes or armatures, and five additional sources. Within the building and construction sector, it is linked to ceilings, fencing, floors, and roofs. Additionally, it is identified in sources related to food, food processing, and cookware, specifically regarding the processing of meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₈N₂O₂

Average Molecular Mass

140.140 g/mol

Monoisotopic Mass

140.059 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2

InChI Key

OVBFMUAFNIIQAL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2162.0	Log mg/kg	[1200:3800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
625	Racing Sports	Recreation & sports surfaces	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Macrophage migration inhibitory factor	P14174	Humans	Predicted (SEA)	230.434
Click to view 3D structure	N-acylethanolamine-hydrolyzing acid amidase	Q02083	Humans	Predicted (SEA)	1847.52
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	7293.54
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	7720.7
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	7645.96
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7774.18
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7740.86
Click to view 3D structure	Macrophage migration inhibitory factor	P30904	Rattus norvegicus	Predicted (SEA)	18.2167
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	240.71
Click to view 3D structure	Nitric oxide synthase, inducible	P29477	Mus musculus	Predicted (SEA)	7512.45
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	291.467
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	281.036
Click to view 3D structure	Pepsin A	P00791	Sus scrofa	Predicted (SEA)	6925.93
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	7767.48
Click to view 3D structure	GMP synthase [glutamine-hydrolyzing]	Q3THK7	Mus musculus	Predicted (SEA)	4648.61
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	7776.83
Click to view 3D structure	Cathepsin D	P80209	Bos taurus	Predicted (SEA)	6834.23
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	7742.34
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	7775.11
Click to view 3D structure	Peroxisomal N(1)-acetyl-spermine/spermidine oxidase	Q8C0L6	Mus musculus	Predicted (SEA)	28.9599
Click to view 3D structure	Fructose-bisphosphate aldolase class 2	P0AB71	Escherichia coli (strain K12)	Predicted (SEA)	679.857
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	167.22
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	7769.9
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	7781.5
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	5244.55