1-(3-methoxypropoxy)butane (CED0313742)

Record Information
Version1.0
Creation Date2026-09-01 13:21:45 UTC
Update Date2026-09-01 13:21:45 UTC
SynCED IDCED0313742
Secondary Accession Numbers
  • CHEM359609
Identification
Common Name1-(3-methoxypropoxy)butane
ClassSmall Molecule
Description
1-(3-methoxypropoxy)butane is a chemical compound with the formula C8H18O2. It has an average molecular weight of 146.23 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H18O2
Average Molecular MassNot Available
Monoisotopic Mass146.131 g/mol
CAS Registry Number25736-79-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCOCCCOC
InChI IdentifierInChI=1S/C8H18O2/c1-3-4-7-10-8-5-6-9-2/h3-8H2,1-2H3
InChI KeySYQZZZDASGVPDV-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
6457.0 Log mg/kg [3600:11000]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
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.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
Neutral ceramidase structureClick to view 3D structureNeutral ceramidaseQ9NR71HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.25202
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.268 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
14
E-value
4.5931
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.313
Statistical Significance
6.30e-04
Supporting Reference Compounds
2
E-value
4.9045
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.268 Low confidence
Statistical Significance
8.50e-04
Supporting Reference Compounds
21
E-value
6.61718
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0144
Supporting Reference Compounds
1
E-value
111.791
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.273 Low confidence
Statistical Significance
0.3886
Supporting Reference Compounds
825
E-value
3025.38
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.273 Low confidence
Statistical Significance
0.3743
Supporting Reference Compounds
793
E-value
2913.82
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.333
Statistical Significance
2.80e-04
Supporting Reference Compounds
2
E-value
2.17978
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.306
Statistical Significance
0.0032
Supporting Reference Compounds
30
E-value
25.1453
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.306
Statistical Significance
0.006
Supporting Reference Compounds
21
E-value
47.0209
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.24 Low confidence
Statistical Significance
5.00e-04
Supporting Reference Compounds
1
E-value
3.89246
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0436
Supporting Reference Compounds
127
E-value
339.189
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0026
Supporting Reference Compounds
1
E-value
20.3186
Click to view 3D structureSucrase-isomaltaseB5THE3Mus musculusPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.268 Low confidence
Statistical Significance
7.80e-04
Supporting Reference Compounds
7
E-value
6.07224
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.273 Low confidence
Statistical Significance
0.7126
Supporting Reference Compounds
1245
E-value
5547.46
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.313
Statistical Significance
0.0118
Supporting Reference Compounds
40
E-value
92.0178
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.237 Low confidence
Statistical Significance
0.0581
Supporting Reference Compounds
46
E-value
452.382
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.313
Statistical Significance
0.0052
Supporting Reference Compounds
20
E-value
40.4037
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.306
Statistical Significance
0.0017
Supporting Reference Compounds
3
E-value
13.1565
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.279 Low confidence
Statistical Significance
0.5754
Supporting Reference Compounds
797
E-value
4479.76
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.313
Statistical Significance
0.0021
Supporting Reference Compounds
4
E-value
16.0369
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.306
Statistical Significance
0.0163
Supporting Reference Compounds
31
E-value
126.894
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.316
Statistical Significance
0.8412
Supporting Reference Compounds
1538
E-value
6548.37
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.219 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
14
E-value
20.7857
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.219 Low confidence
Statistical Significance
0.0088
Supporting Reference Compounds
22
E-value
68.3516
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available