4-Hydroxy-beta-thujone (CED0034705)

Record Information

Version

1.0

Creation Date

2026-04-06 09:32:17 UTC

Update Date

2026-05-21 10:34:21 UTC

Accession Number

CHEM121723

Identification

Common Name

4-Hydroxy-beta-thujone

Class

Small Molecule

Description

4-Hydroxy-beta-thujone belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound is found in or released from 13 recorded sources across several industrial and consumer sectors. Within the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is present in lubricants. In the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. It is also found in food packaging within the food, food processing & cookware sector. The compound is recorded in the textiles, leather & furnishings sector, specifically in carpets, rugs, and synthetic textiles. Additionally, it is found in electrical & electronic equipment, including batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one other source. Exposure to 4-Hydroxy-beta-thujone occurs through the routes of oral intake, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H16O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-7,12H,4-5H2,1-3H3/t7-,9-,10+/m1/s1

InChI Key

QCIUNUUHBWFYTD-QNSHHTMESA-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
2263.0	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
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	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	Gamma-aminobutyric acid receptor subunit alpha-4	P28471	Rattus norvegicus	Predicted (SEA)	5.44945
Click to view 3D structure	Eukaryotic elongation factor 2 kinase	P70531	Rattus norvegicus	Predicted (SEA)	6.07224
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	0.778492
Click to view 3D structure	Secretory phospholipase A2 receptor	Q13018	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	2515.85
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	76.6036
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	582.234
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	42.5057
Click to view 3D structure	Extended-spectrum beta-lactamase PER-6	D5HSX5	Aeromonas allosaccharophila	Predicted (SEA)	4.04816
Click to view 3D structure	ADC-14 protein	Q0VTR6	Acinetobacter genomosp. 3	Predicted (SEA)	4.04816
Click to view 3D structure	Beta-lactamase SHV-11	Q7X575	Escherichia coli	Predicted (SEA)	4.04816
Click to view 3D structure	ADC-16 protein	Q0VTR8	Acinetobacter genomosp. 3	Predicted (SEA)	4.04816
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	56.0514
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	124.247
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P28845	Humans	Predicted (SEA)	2005.32
Click to view 3D structure	Glycine receptor subunit alpha-2	P22771	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	1712.68
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	3247.48
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	30.984
Click to view 3D structure	Synaptic vesicle glycoprotein 2A	Q02563	Rattus norvegicus	Predicted (SEA)	25.6124
Click to view 3D structure	Ecdysone receptor	P34021	Drosophila melanogaster	Predicted (SEA)	18.2946
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	2865.24
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase type 2	P80365	Humans	Predicted (SEA)	564.173
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	3050.44
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	5808.88