32-(Perfluoro-11-methyldodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol (CED0138361)

Record Information
Version1.0
Creation Date2026-03-31 19:53:36 UTC
Update Date2026-08-31 20:51:51 UTC
SynCED IDCED0138361
Secondary Accession Numbers
  • CHEM057474
Identification
Common Name32-(Perfluoro-11-methyldodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol
ClassSmall Molecule
Description
32-(Perfluoro-11-methyldodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 1,155 g/mol, 32-(Perfluoro-11-methyldodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol is a heavy molecule. This compound is identified by the chemical formula C35H45F27O11. The compound has been found in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. It is also found in the textiles, leather and furnishings sector, specifically in synthetic textiles as well as carpets and rugs. Other recorded sources include lubricants used in energy, oil and gas as well as industrial manufacturing and chemical processing. Furthermore, it is present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector, along with one other sector. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC35H45F27O11
Average Molecular Mass1154.691 g/mol
Monoisotopic Mass1154.253 g/mol
CAS Registry Number93776-09-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C35H45F27O11/c1-64-2-3-65-4-5-66-6-7-67-8-9-68-10-11-69-12-13-70-14-15-71-16-17-72-18-19-73-21-22(63)20-23(36,37)25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)32(53,54)30(49,50)28(45,46)26(41,42)24(38,34(57,58)59)35(60,61)62/h22,63H,2-21H2,1H3
InChI KeyMCTLLDFQQNTIQG-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
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.211 Low confidence
Statistical Significance
0.2665
Supporting Reference Compounds
37
E-value
2074.76
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.177 Low confidence
Statistical Significance
0.9913
Supporting Reference Compounds
1130
E-value
7716.96
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.177 Low confidence
Statistical Significance
0.9931
Supporting Reference Compounds
1245
E-value
7731.28
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.211 Low confidence
Statistical Significance
0.9541
Supporting Reference Compounds
541
E-value
7427.44
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.16 Low confidence
Statistical Significance
0.002
Supporting Reference Compounds
1
E-value
15.6477
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.184 Low confidence
Statistical Significance
0.0107
Supporting Reference Compounds
2
E-value
83.143
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.172 Low confidence
Statistical Significance
0.9872
Supporting Reference Compounds
1103
E-value
7684.96
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.177 Low confidence
Statistical Significance
0.9835
Supporting Reference Compounds
593
E-value
7656.47
6-phosphogluconolactonase structureClick to view 3D structure6-phosphogluconolactonaseQ9GRG6Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.157 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.1926
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.177 Low confidence
Statistical Significance
0.9838
Supporting Reference Compounds
506
E-value
7658.5
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.177 Low confidence
Statistical Significance
0.9944
Supporting Reference Compounds
1498
E-value
7741.48
Fructose-bisphosphate aldolase, glycosomal structureClick to view 3D structureFructose-bisphosphate aldolase, glycosomalP07752Trypanosoma brucei bruceiPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.176 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
2
E-value
8.09632
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.189 Low confidence
Statistical Significance
0.0087
Supporting Reference Compounds
3
E-value
67.7288
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.153 Low confidence
Statistical Significance
0.0328
Supporting Reference Compounds
1
E-value
255.112
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.172 Low confidence
Statistical Significance
0.9912
Supporting Reference Compounds
823
E-value
7716.65
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.184 Low confidence
Statistical Significance
0.5084
Supporting Reference Compounds
40
E-value
3958.09
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.157 Low confidence
Statistical Significance
0.9454
Supporting Reference Compounds
145
E-value
7360.1
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.189 Low confidence
Statistical Significance
0.6417
Supporting Reference Compounds
31
E-value
4995.9
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.189 Low confidence
Statistical Significance
0.605
Supporting Reference Compounds
30
E-value
4709.8
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.189 Low confidence
Statistical Significance
0.32
Supporting Reference Compounds
21
E-value
2491.41
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.211 Low confidence
Statistical Significance
0.8753
Supporting Reference Compounds
258
E-value
6814.45
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.211 Low confidence
Statistical Significance
0.8416
Supporting Reference Compounds
180
E-value
6551.71
Click to view 3D structureBeta-1 adrenergic receptorP34971Mus musculusPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.211 Low confidence
Statistical Significance
0.0961
Supporting Reference Compounds
13
E-value
748.442
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.211 Low confidence
Statistical Significance
0.3001
Supporting Reference Compounds
48
E-value
2336.18
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.211 Low confidence
Statistical Significance
0.3948
Supporting Reference Compounds
43
E-value
3073.25
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available