Tridecan-6-one (CED0190983)

Record Information

Version

1.0

Creation Date

2026-04-03 17:48:26 UTC

Update Date

2026-08-19 03:01:18 UTC

Accession Number

CHEM066802

Identification

Common Name

Tridecan-6-one

Class

Small Molecule

Description

Tridecan-6-one (C13H26O1) is an organic oxygen compound with an average molecular weight of 198.35 g/mol. Tridecan-6-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been identified in one recorded source related to food, food processing, and cookware, specifically food contact materials. Recorded routes of exposure for this compound include inhalation, oral ingestion, and touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₂₆O₁

Average Molecular Mass

198.350 g/mol

Monoisotopic Mass

198.198 g/mol

CAS Registry Number

22026-12-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCC(=O)CCCCC

InChI Identifier

InChI=1S/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h3-12H2,1-2H3

InChI Key

KPVFRXPKBAAIIE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Ketones

Alternative Parents

Substituents

Ketone
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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
6932.0	Log mg/kg	[3900:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
494	Food contact materials	Food, food processing & cookware	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)	2.10193
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	2.41333
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	1.55698
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	3.34752
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)	0.233548
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	5.13805
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	3.89246
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	9.49761
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	0.155698
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	4.51525
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	15.4141
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	7.86277
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	11.6774
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	1.71268
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	0.233548
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	0.700643
Click to view 3D structure	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	0.934191
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	27.7143
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	14.7135
Click to view 3D structure	Phospholipase A2, membrane associated	P14555	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	Toll-like receptor 2	O60603	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	30.5169
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	9.6533