6,8-Dimethylnona-3,5-dien-2-one (CED0181014)

Record Information

Version

1.0

Creation Date

2026-03-26 21:51:43 UTC

Update Date

2026-05-20 18:53:20 UTC

SynCED ID

CED0181014

Secondary Accession Numbers

CHEM056540

Identification

Common Name

6,8-Dimethylnona-3,5-dien-2-one

Class

Small Molecule

Description

6,8-Dimethylnona-3,5-dien-2-one is an organic oxygen compound with the chemical formula C11H18O1. 6,8-Dimethylnona-3,5-dien-2-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been identified in one recorded source, specifically indoor air, dust, and atmospheric transport. The recorded route of exposure for this compound is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₈O₁

Average Molecular Mass

Not Available

Monoisotopic Mass

166.136 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H18O/c1-9(2)8-10(3)6-5-7-11(4)12/h5-7,9H,8H2,1-4H3

InChI Key

UEHONTCNOHEQEF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Enones

Alternative Parents

Substituents

Enone
Acryloyl-group
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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5932.0 Log mg/kg [3300:11000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.273 Low confidence Statistical Significance 0.0315 Supporting Reference Compounds 42 E-value 245.147
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.273 Low confidence Statistical Significance 0.1022 Supporting Reference Compounds 107 E-value 795.308
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.273 Low confidence Statistical Significance 0.0502 Supporting Reference Compounds 39 E-value 390.57
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.24 Low confidence Statistical Significance 0.0966 Supporting Reference Compounds 82 E-value 752.179
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P28700	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.24 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 17 E-value 37.9126
Click to view 3D structure	Cellular retinoic acid-binding protein 1	P62965	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.24 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 7 E-value 1.47914
Click to view 3D structure	Cellular retinoic acid-binding protein 2	P22935	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.24 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 7 E-value 1.47914
Click to view 3D structure	Retinoic acid receptor alpha	P11416	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.24 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 16 E-value 40.9487
Click to view 3D structure	Cellular retinoic acid-binding protein 1	P40220	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.24 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 5 E-value 1.47914
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P27463	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.206 Low confidence Statistical Significance 0.1396 Supporting Reference Compounds 52 E-value 1086.93
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.206 Low confidence Statistical Significance 0.1169 Supporting Reference Compounds 47 E-value 909.98
Click to view 3D structure	Retinoic acid receptor alpha	P10276	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.206 Low confidence Statistical Significance 0.1642 Supporting Reference Compounds 53 E-value 1278.36
Click to view 3D structure	Retinoic acid receptor gamma	P18911	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.211 Low confidence Statistical Significance 0.0095 Supporting Reference Compounds 14 E-value 73.8011
Click to view 3D structure	Retinoic acid receptor beta	P22605	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.211 Low confidence Statistical Significance 0.0091 Supporting Reference Compounds 14 E-value 70.9985
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.195 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.4141
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.231 Low confidence Statistical Significance 0.0149 Supporting Reference Compounds 31 E-value 115.762
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.217 Low confidence Statistical Significance 0.4653 Supporting Reference Compounds 167 E-value 3622.4
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28702	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.206 Low confidence Statistical Significance 0.0841 Supporting Reference Compounds 31 E-value 654.79
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P48443	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.206 Low confidence Statistical Significance 0.0557 Supporting Reference Compounds 31 E-value 433.542
Click to view 3D structure	DNA-directed RNA polymerase subunit beta	P0A8V2	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.0313
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P28705	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.197 Low confidence Statistical Significance 0.0219 Supporting Reference Compounds 20 E-value 170.256
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.204 Low confidence Statistical Significance 0.199 Supporting Reference Compounds 47 E-value 1549.59
Click to view 3D structure	Pepsin A	P00791	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.192 Low confidence Statistical Significance 0.0922 Supporting Reference Compounds 22 E-value 717.848
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.204 Low confidence Statistical Significance 0.5791 Supporting Reference Compounds 173 E-value 4508.64