1,1,3-Trimethylcyclohexane (CED0029500)

Record Information

Version

1.0

Creation Date

2026-04-04 21:13:22 UTC

Update Date

2026-08-25 14:43:37 UTC

Accession Number

CHEM081990

Identification

Common Name

1,1,3-Trimethylcyclohexane

Class

Small Molecule

Description

1,1,3-Trimethylcyclohexane is an organic compound with the chemical formula C9H18 and an average molecular weight of 126.24 g/mol. 1,1,3-Trimethylcyclohexane belongs to the cycloalkanes, a subclass of saturated hydrocarbons within the organic compounds. This substance has been identified in or released from 10 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, discharge lamps, and electric switches, among four other items. Additionally, it is found in household cleaning and consumer products, specifically soap detergents.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₈

Average Molecular Mass

126.243 g/mol

Monoisotopic Mass

126.141 g/mol

CAS Registry Number

3073-66-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1CCCC(C)(C)C1

InChI Identifier

InChI=1/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3

InChI Key

PYOLJOJPIPCRDP-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
3998.0	Log mg/kg	[2200:7100]	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
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	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	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	0.389246
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	0.389246
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	0.389246
Click to view 3D structure	Ferritin heavy chain	P02794	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Abscisic acid 8'-hydroxylase 3	Q9FH76	Arabidopsis thaliana	Predicted (SEA)	0.700643
Click to view 3D structure	Hemagglutinin	P03438	Influenza A virus (strain A/X-31 H3N2)	Predicted (SEA)	26.3909
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	3.03612
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	4489.56
Click to view 3D structure	FUN14 domain-containing protein 1	Q8IVP5	Humans	Predicted (SEA)	16.8154
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	7528.49
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	4199.73
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	7300.86
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	5516.94
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 2	P17706	Humans	Predicted (SEA)	4098.14
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	5366.07
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	5803.27
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	4680.61
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	3490.21
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	6435.79
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	7431.95
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	433.309
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	7689.4
Click to view 3D structure	Galactocerebrosidase	P54818	Mus musculus	Predicted (SEA)	13.6236
Click to view 3D structure	Nucleoside diphosphate phosphatase ENTPD5	O75356	Humans	Predicted (SEA)	143.943
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	7677.41