|
gptkbp:instanceOf
|
gptkb:heterocyclic_compound
gptkb:chemical_compound
|
|
gptkbp:appearance
|
colorless liquid
|
|
gptkbp:aroma
|
mild, sweet odor
|
|
gptkbp:autoignitionTemperature
|
180 °C
|
|
gptkbp:boilingPoint
|
101.1 °C
|
|
gptkbp:carcinogenicity
|
IARC Group 2B (possibly carcinogenic to humans)
|
|
gptkbp:CASNumber
|
123-91-1
|
|
gptkbp:chemicalFormula
|
C4H8O2
|
|
gptkbp:decomposition_products
|
carbon dioxide
carbon monoxide
peroxides
|
|
gptkbp:density
|
1.033 g/cm³
|
|
gptkbp:EC_number
|
204-661-8
|
|
gptkbp:environmentalImpact
|
groundwater contaminant
|
|
gptkbp:flashPoint
|
12 °C
|
|
gptkbp:foundIn
|
trace contaminant in cosmetics and detergents
|
|
gptkbp:hasInChIKey
|
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
|
|
gptkbp:hasLogP
|
-0.27
|
|
gptkbp:hasSMILES
|
C1COCCO1
|
|
gptkbp:IUPACName
|
gptkb:1,4-dioxane
|
|
gptkbp:KEGGID
|
C01738
|
|
gptkbp:LD50
|
5170 mg/kg
|
|
gptkbp:meltingPoint
|
11.8 °C
|
|
gptkbp:miscibility
|
miscible with most organic solvents
|
|
gptkbp:molecularWeight
|
88.11 g/mol
|
|
gptkbp:NIOSH_REL
|
1 ppm (3.6 mg/m³)
|
|
gptkbp:OSHA_PEL
|
100 ppm (360 mg/m³)
|
|
gptkbp:peroxide_formation
|
forms explosive peroxides on storage
|
|
gptkbp:productionMethod
|
from diethylene glycol
from ethylene glycol
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL14267
31275
CHEBI:27338
|
|
gptkbp:regulates
|
regulated as a contaminant in drinking water
|
|
gptkbp:relatedTo
|
gptkb:tetrahydrofuran
1,3-dioxane
|
|
gptkbp:riskFactor
|
flammable
possible human carcinogen
|
|
gptkbp:solubility
|
miscible
|
|
gptkbp:structure
|
six-membered ring with two oxygen atoms at positions 1 and 4
|
|
gptkbp:toxicity
|
harmful by inhalation, ingestion, or skin absorption
|
|
gptkbp:UNNumber
|
1165
|
|
gptkbp:uses
|
gptkb:solvent
laboratory reagent
stabilizer for chlorinated solvents
|
|
gptkbp:vaporPressure
|
38 mmHg (20 °C)
|
|
gptkbp:bfsParent
|
gptkb:tetrahydrofuran
gptkb:IUPAC_nomenclature
gptkb:San_Fernando_Valley_groundwater_basin
gptkb:North_Hollywood_Water_Treatment_Plant
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
1,4-dioxane
|