Statements (50)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
heterocyclic 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
|
| https://www.w3.org/2000/01/rdf-schema#label |
1,4-dioxane
|
| 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 |
solvent
laboratory reagent stabilizer for chlorinated solvents |
| gptkbp:vaporPressure |
38 mmHg (20 °C)
|
| gptkbp:bfsParent |
gptkb:IUPAC_nomenclature
|
| gptkbp:bfsLayer |
6
|