1,1,1-Trimethoxybutane (CED0166663)

Record Information
Version1.0
Creation Date2026-04-05 04:38:31 UTC
Update Date2026-08-23 22:41:53 UTC
Accession NumberCHEM092606
Identification
Common Name1,1,1-Trimethoxybutane
ClassSmall Molecule
Description
1,1,1-Trimethoxybutane is an organic compound with the formula C7H16O3 and an average molecular weight of 148.20 g/mol. 1,1,1-Trimethoxybutane belongs to the ortho esters, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from one recorded source: electrical and electronic equipment, specifically sparking plugs.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H16O3
Average Molecular Mass148.202 g/mol
Monoisotopic Mass148.110 g/mol
CAS Registry Number43083-12-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC(OC)(OC)OC
InChI IdentifierInChI=1/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3
InChI KeyJAFMOTJMRSZOJE-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
2711.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
533Sparking PlugsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)314.199
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)77.7714
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)169.478
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)26.7801
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)76.6815
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)213.852
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)91.0057
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)2972.59
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)87.4247
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)1475.71
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)6948.59
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)95.8324
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)3777.48
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)4.98235
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)6615.63
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)5264.16
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)6454.87
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7737.28
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)78.8613
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)3117.16
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7758.53
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)110.857
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)5595.72
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)7530.9
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7576.99
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available