Adipoyl dichloride (CED0028364)

Record Information

Version

1.0

Creation Date

2026-04-04 18:46:20 UTC

Update Date

2026-08-23 14:43:12 UTC

Accession Number

CHEM078083

Identification

Common Name

Adipoyl dichloride

Class

Small Molecule

Description

Adipoyl dichloride is an organic compound with the chemical formula $\text{C}_6\text{H}_8\text{Cl}_2\text{O}_2$ and an average molecular weight of 183.03 g/mol. Adipoyl dichloride belongs to the acyl chlorides, a subclass of acyl halides within the organic compounds. This substance has been identified in or released from six recorded sources across various sectors. Within household cleaning and consumer products, it is associated with tobacco product cases, pipe accessories, and cigar cigarettes. In the context of food, cookware, and food processing, it is found in the processing of meats and the preparation of sparkling wine or wine. Additionally, it has been recorded in electrical and electronic equipment, specifically in relation to video games.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₈Cl₂O₂

Average Molecular Mass

183.030 g/mol

Monoisotopic Mass

181.990 g/mol

CAS Registry Number

111-50-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClC(=O)CCCCC(Cl)=O

InChI Identifier

InChI=1/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2

InChI Key

PWAXUOGZOSVGBO-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
919.0	Log mg/kg	[520:1600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
659	Transfer Printing	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	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	109.378
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	142.386
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	1.79053
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	272.628
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	25.5345
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	162.471
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)	11.366
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	669.815
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	1844.33
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	1586.02
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	398.977
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	34.0201
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	3026.39
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	2344.2
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	3374.69
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	1365.32
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	1259.21
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	9.26406
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	91.0836
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	2.33548
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	5.83869
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	10.5096
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	10.1204
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	4.9045
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	1432.27