Statements (56)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
aromatic hydrocarbon |
| gptkbp:appearance |
colorless liquid
|
| gptkbp:aroma |
sweet, pungent, benzene-like
|
| gptkbp:autoignitionTemperature |
480 °C
|
| gptkbp:boilingPoint |
110.6 °C
|
| gptkbp:CASNumber |
108-88-3
|
| gptkbp:chemicalFormula |
C7H8
|
| gptkbp:density |
0.8669 g/cm³
|
| gptkbp:discoveredBy |
gptkb:Pierre_Joseph_Pelletier
|
| gptkbp:discoveredIn |
1837
|
| gptkbp:EC_number |
203-625-9
|
| gptkbp:environmentalHazard |
toxic to aquatic life
|
| gptkbp:exposureLimit |
TWA 20 ppm (ACGIH)
|
| gptkbp:flammability |
highly flammable
|
| gptkbp:flashPoint |
4 °C
|
| gptkbp:GHS_signal_word |
Danger
|
| gptkbp:hasInChIKey |
YXFVVABEGXRONW-UHFFFAOYSA-N
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| gptkbp:hasLogP |
2.73
|
| gptkbp:hasSMILES |
CC1=CC=CC=C1
|
| https://www.w3.org/2000/01/rdf-schema#label |
Toluene
|
| gptkbp:IUPACName |
methylbenzene
|
| gptkbp:KEGGID |
C01488
|
| gptkbp:meltingPoint |
-95 °C
|
| gptkbp:MeSH_ID |
D014053
|
| gptkbp:molecularWeight |
92.14 g/mol
|
| gptkbp:PubChem_CID |
1140
CHEBI:17578 CHEMBL541 |
| gptkbp:refractiveIndex |
1.496 (20 °C)
|
| gptkbp:relatedTo |
benzene
phenol xylene |
| gptkbp:riskFactor |
H225 (Highly flammable liquid and vapor)
H336 (May cause drowsiness or dizziness) H304 (May be fatal if swallowed and enters airways) H315 (Causes skin irritation) H361d (Suspected of damaging the unborn child) |
| gptkbp:RTECSNumber |
XS5250000
|
| gptkbp:solubility |
miscible with acetone
miscible with diethyl ether miscible with ethanol 0.52 g/L (20 °C) |
| gptkbp:structure |
benzene ring with one methyl group
|
| gptkbp:toxicity |
harmful by inhalation, ingestion, or skin absorption
|
| gptkbp:UNNumber |
1294
|
| gptkbp:uses |
paint thinner
industrial solvent octane booster in gasoline fuels precursor to TNT precursor to benzene |
| gptkbp:vaporPressure |
28.4 mmHg (20 °C)
|
| gptkbp:bfsParent |
gptkb:Pothos
gptkb:Benzene |
| gptkbp:bfsLayer |
6
|