(2-Hydroxymethylcyclohexyl)acetic acid lactone (CED0057275)

Record Information

Version

1.0

Creation Date

2026-04-06 10:27:19 UTC

Update Date

2026-08-25 12:42:42 UTC

SynCED ID

CED0057275

Secondary Accession Numbers

CHEM122625

Identification

Common Name

(2-Hydroxymethylcyclohexyl)acetic acid lactone

Class

Small Molecule

Description

(2-Hydroxymethylcyclohexyl)acetic acid lactone belongs to the benzopyrans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C9H14O2 and an average molecular weight of 154.21 g/mol. It has been found in or released from one recorded source: Building & Construction (Tents Or Canopies).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₄O₂

Average Molecular Mass

154.210 g/mol

Monoisotopic Mass

154.099 g/mol

CAS Registry Number

21962-62-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2

InChI Key

AYMWCZFEDLLHMI-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2509.0 Log mg/kg [1400:4500]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000503	Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.	Building & Construction	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	Bile salt-activated lipase	P19835	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.209 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.7681
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P32211	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 3.10e-04 Supporting Reference Compounds 1 E-value 2.41333
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.2 Low confidence Statistical Significance 0.9183 Supporting Reference Compounds 385 E-value 7148.97
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.2 Low confidence Statistical Significance 0.918 Supporting Reference Compounds 373 E-value 7146.33
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH4	P08319	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 1 E-value 27.9479
Click to view 3D structure	Transcriptional activator protein LuxR	P12746	Aliivibrio fischeri	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.17 Low confidence Statistical Significance 0.0911 Supporting Reference Compounds 9 E-value 709.206
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.026 Supporting Reference Compounds 1 E-value 202.252
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.2 Low confidence Statistical Significance 0.9429 Supporting Reference Compounds 406 E-value 7340.48
Click to view 3D structure	Transcriptional activator protein TraR	P33905	Agrobacterium tumefaciens	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.17 Low confidence Statistical Significance 0.0748 Supporting Reference Compounds 8 E-value 582.312
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.2 Low confidence Statistical Significance 0.9305 Supporting Reference Compounds 266 E-value 7244.18
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.192 Low confidence Statistical Significance 0.9457 Supporting Reference Compounds 541 E-value 7362.28
Click to view 3D structure	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.17 Low confidence Statistical Significance 0.0611 Supporting Reference Compounds 12 E-value 475.814
Click to view 3D structure	Extended-spectrum beta-lactamase PER-6	D5HSX5	Aeromonas allosaccharophila	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 1 E-value 41.6493
Click to view 3D structure	ADC-14 protein	Q0VTR6	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 1 E-value 41.6493
Click to view 3D structure	Beta-lactamase SHV-11	Q7X575	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 1 E-value 41.6493
Click to view 3D structure	ADC-16 protein	Q0VTR8	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 1 E-value 41.6493
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.2 Low confidence Statistical Significance 0.9448 Supporting Reference Compounds 297 E-value 7355.04
Click to view 3D structure	Transcription factor HES-1	P35428	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 21.175
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.176 Low confidence Statistical Significance 0.9282 Supporting Reference Compounds 472 E-value 7226.04
Click to view 3D structure	Transcriptional activator protein LuxR	P35327	Vibrio fischeri (strain ATCC 700601 / ES114)	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.167 Low confidence Statistical Significance 0.1138 Supporting Reference Compounds 6 E-value 886.08
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.2 Low confidence Statistical Significance 0.7838 Supporting Reference Compounds 109 E-value 6101.67
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.2 Low confidence Statistical Significance 0.6831 Supporting Reference Compounds 98 E-value 5317.72
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.167 Low confidence Statistical Significance 0.9095 Supporting Reference Compounds 258 E-value 7080.39
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.2 Low confidence Statistical Significance 0.9605 Supporting Reference Compounds 310 E-value 7477.65