4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodononan-1-ol (CED0189003)

Record Information
Version1.0
Creation Date2026-04-06 05:09:56 UTC
Update Date2026-08-25 17:46:56 UTC
Accession NumberCHEM117741
Identification
Common Name4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodononan-1-ol
ClassSmall Molecule
Description
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodononan-1-ol belongs to the iodohydrins, a subclass of halohydrins within the organic compounds. With an average molecular weight of 504.03 g/mol, 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-iodononan-1-ol is a heavy molecule. This organohalogen compound is characterized by the chemical formula C9H6F13IO. The compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires, and cables. In the textiles, leather, and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Other identified sources include lubricants used in energy, oil, gas, industrial manufacturing, and chemical processing. Additionally, it is present in medical devices within the healthcare, pharmaceuticals, and veterinary products sector, as well as in food packaging used in food, food processing, and cookware. Exposure routes for this substance include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H6F13IO
Average Molecular Mass504.030 g/mol
Monoisotopic Mass503.926 g/mol
CAS Registry Number38550-44-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1/C9H6F13IO/c10-4(11,1-3(23)2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,24H,1-2H2
InChI KeyJIDYQTCBVGBFDH-UHFFFAOYSA-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
SpectraNot Available
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
1619.0Log mg/kg[910:2900]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
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)45.7753
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)6238.76
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)475.192
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)273.951
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)4376.53
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)56.5185
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7745.76
Click to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)2193.64
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7754.72
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)301.588
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)4474.54
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)7029.24
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7727.16
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7702.25
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)382.24
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)457.676
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)7777.84
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7769.35
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)7771.92
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7779.86
Click to view 3D structureRyanodien receptorH9CNL0Spodoptera exiguaPredicted (SEA)4638.8
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)852.293
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)406.295
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)7651.96
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)7689.25
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available