1,12-diisocyanatododecane (CED0051928)

Record Information

Version

1.0

Creation Date

2026-08-19 07:38:41 UTC

Update Date

2026-08-19 07:38:41 UTC

Accession Number

CHEM181313

Identification

Common Name

1,12-diisocyanatododecane

Class

Small Molecule

Description

1,12-diisocyanatododecane is an organic nitrogen compound with the chemical formula C14H24N2O2 and an average molecular weight of 252.35 g/mol. 1,12-diisocyanatododecane belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. This compound is associated with seven recorded sources of release or occurrence. Within the building and construction sector, it is found in ceilings, floors, roofs, and tents or canopies. Additionally, it is present in electrical and electronic equipment, specifically in antennas, line transmission systems, and cores yokes or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₂₄N₂O₂

Average Molecular Mass

252.350 g/mol

Monoisotopic Mass

252.184 g/mol

CAS Registry Number

13879-35-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C14H24N2O2/c17-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18/h1-12H2

InChI Key

GFNDFCFPJQPVQL-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
2239.0	Log mg/kg	[1300:4000]	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
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	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)	351.723
Click to view 3D structure	N-acylethanolamine-hydrolyzing acid amidase	Q02083	Humans	Predicted (SEA)	613.53
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	6003.5
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	7443.55
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	110.857
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	7420.82
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	85.2449
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	7447.68
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7760.01
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	7552.0
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	7496.33
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	7662.85
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	7263.57
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	1546.79
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	4328.34
Click to view 3D structure	Deoxyhypusine synthase	Q6AY53	Rattus norvegicus	Predicted (SEA)	88.5146
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	7673.36
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7735.1
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	7608.52
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	7574.03
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	259.238
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	282.281
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	3055.74
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	2381.41
Click to view 3D structure	Palmitoyltransferase ZDHHC20	Q5W0Z9	Humans	Predicted (SEA)	214.085