[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol (CED0152713)

Record Information
Version1.0
Creation Date2026-04-06 11:57:21 UTC
Update Date2026-04-17 15:58:49 UTC
Accession NumberCHEM123808
Identification
Common Name[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol
ClassSmall Molecule
Description
[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C12H22O1 and an average molecular weight of 182.30 g/mol. It is used industrially as a flavouring and nutrient. The substance is found in or released from 20 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among three other sources. In the sector of food, food processing and cookware, it is found in food packaging, fermentation processes for beer, molasses and treatment of molasses, the preparation of vinegar, and the preparation of wine or sparkling wine, among one other source. Its presence is also recorded in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Additionally, it is found in lubricants within the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector. In the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. One other sector is also recorded. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H22O1
Average Molecular MassNot Available
Monoisotopic Mass182.167 g/mol
CAS Registry Number19700-21-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1CCCC2(C1(CCCC2)O)C
InChI IdentifierInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
InChI KeyJLPUXFOGCDVKGO-TUAOUCFPSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0udr-1900000000-bbee108ab9819fdb5bf6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0159-0900000000-ddf83d8b27b7dc956693Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0159-3900000000-28622154e63556a03425Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-059f-9800000000-666ab68a85c353b2cc45Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-45713f7cb044a8ec930fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-bdf384afa46c46e8ee8cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gc9-1900000000-ff000b008056c17bc046Not AvailableView Spectrum
MSMS Spectrumsplash10-03di-9600000000-3e657d8907a079164519Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2390.0Log mg/kg[1300:4300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
584BuoysMarine, shipping & aquacultureNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAbscisic acid 8'-hydroxylase 3Q9FH76Arabidopsis thalianaPredicted (SEA)0.155698
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)6291.15
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)2879.41
Click to view 3D structureANK_REP_REGION domain-containing proteinH0VJD1Cavia porcellusPredicted (SEA)109.612
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)6221.48
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)1526.93
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)6104.78
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)3686.94
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)6904.29
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)6788.69
Click to view 3D structureAlpha-glucosidase MAL12P53341Saccharomyces cerevisiae S288cPredicted (SEA)11.0546
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)3470.6
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)5929.39
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)1780.49
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)398.666
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7430.16
Click to view 3D structureGlyceraldehyde-3-phosphate dehydrogenaseP46406Oryctolagus cuniculusPredicted (SEA)5.68299
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7428.84
Click to view 3D structureAcidic phospholipase A2 2P15445Naja najaPredicted (SEA)9.34191
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)215.253
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)6152.27
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7667.14
Click to view 3D structureGalactocerebrosidaseP54818Mus musculusPredicted (SEA)5.13805
Click to view 3D structureSpermidine synthaseQ6QA75Sus scrofaPredicted (SEA)3.81461
Click to view 3D structureSpermidine synthaseQ4CXJ6Trypanosoma cruzi (strain CL Brener)Predicted (SEA)3.81461
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available