2-ethyl-2-(2-methylpropyl)propane-1,3-diol (CED0224564)

Record Information
Version1.0
Creation Date2026-08-25 15:56:49 UTC
Update Date2026-08-25 15:56:49 UTC
SynCED IDCED0224564
Secondary Accession Numbers
  • CHEM266942
Identification
Common Name2-ethyl-2-(2-methylpropyl)propane-1,3-diol
ClassSmall Molecule
Description
2-ethyl-2-(2-methylpropyl)propane-1,3-diol is an organic compound with the formula C9H20O2 and an average molecular weight of 160.25 g/mol. 2-ethyl-2-(2-methylpropyl)propane-1,3-diol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This substance has been found in or released from two recorded sources, specifically within the building and construction sector regarding ceilings, and in food, food processing and cookware relating to the processing of meats.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H20O2
Average Molecular Mass160.250 g/mol
Monoisotopic Mass160.146 g/mol
CAS Registry Number25450-92-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H20O2/c1-4-9(6-10,7-11)5-8(2)3/h8,10-11H,4-7H2,1-3H3
InChI KeyQNKRHLZUPSSIPN-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 Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2870.0 Log mg/kg [1600:5100]RatLD50oralpredictedNot AvailableNot 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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000584Buoys?Buoys, often used for navigation and marine monitoring, can be sources of synthetic chemical contamination due to the materials and coatings employed in their construction.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
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 structureNon-lysosomal glucosylceramidaseQ69ZF3Mus musculusPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0022
Supporting Reference Compounds
1
E-value
17.1268
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0081
Supporting Reference Compounds
1
E-value
62.9022
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.207 Low confidence
Statistical Significance
0.0192
Supporting Reference Compounds
30
E-value
149.159
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.175 Low confidence
Statistical Significance
0.0188
Supporting Reference Compounds
2
E-value
146.201
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0182
Supporting Reference Compounds
21
E-value
141.997
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0071
Supporting Reference Compounds
21
E-value
55.1172
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.172 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
1
E-value
4.12601
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.194 Low confidence
Statistical Significance
0.2251
Supporting Reference Compounds
40
E-value
1752.07
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.207 Low confidence
Statistical Significance
0.0042
Supporting Reference Compounds
21
E-value
33.0859
Click to view 3D structureHydrolase, alpha/beta hydrolase fold familyO69638Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.171 Low confidence
Statistical Significance
0.0463
Supporting Reference Compounds
1
E-value
360.364
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.17 Low confidence
Statistical Significance
0.0047
Supporting Reference Compounds
1
E-value
36.2777
Click to view 3D structureSucrase-isomaltaseB5THE3Mus musculusPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0079
Supporting Reference Compounds
7
E-value
61.3452
Click to view 3D structureLysosomal alpha-glucosidaseP70699Mus musculusPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0075
Supporting Reference Compounds
7
E-value
58.3869
Pepsin A structureClick to view 3D structurePepsin AP00791Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.189 Low confidence
Statistical Significance
0.2042
Supporting Reference Compounds
22
E-value
1589.53
Thrombospondin-1 structureClick to view 3D structureThrombospondin-1P07996HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.0288
Supporting Reference Compounds
1
E-value
224.05
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.0133
Supporting Reference Compounds
1
E-value
103.929
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.171 Low confidence
Statistical Significance
0.2284
Supporting Reference Compounds
35
E-value
1777.84
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0098
Supporting Reference Compounds
25
E-value
76.4479
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.194 Low confidence
Statistical Significance
0.4015
Supporting Reference Compounds
42
E-value
3126.04
Glutamine synthetase structureClick to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0069
Supporting Reference Compounds
1
E-value
53.716
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0058
Supporting Reference Compounds
1
E-value
44.919
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.164 Low confidence
Statistical Significance
0.2122
Supporting Reference Compounds
17
E-value
1652.27
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.171 Low confidence
Statistical Significance
0.0577
Supporting Reference Compounds
14
E-value
449.501
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.159 Low confidence
Statistical Significance
0.589
Supporting Reference Compounds
39
E-value
4585.32
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.194 Low confidence
Statistical Significance
0.2966
Supporting Reference Compounds
18
E-value
2309.24
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available