|
gptkbp:instanceOf
|
gptkb:beer
gptkb:chemical_compound
|
|
gptkbp:appearance
|
colorless solid
|
|
gptkbp:aroma
|
camphor-like
|
|
gptkbp:boilingPoint
|
82.2 °C
|
|
gptkbp:CASNumber
|
75-65-0
|
|
gptkbp:category
|
gptkb:gasoline
solvent
volatile organic compound
tertiary alcohol
|
|
gptkbp:chemicalFormula
|
C4H10O
|
|
gptkbp:density
|
0.775 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Aleksandr_Butlerov
|
|
gptkbp:discoveredIn
|
1867
|
|
gptkbp:EC_number
|
200-889-7
|
|
gptkbp:flashPoint
|
11.5 °C
|
|
gptkbp:GHS_signal_word
|
Danger
|
|
gptkbp:hasInChIKey
|
DKGAVHZHDRPRBM-UHFFFAOYSA-N
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
|
|
gptkbp:hasLogP
|
0.35
|
|
gptkbp:hasSMILES
|
CC(C)(C)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
tert-butyl alcohol
|
|
gptkbp:IUPACName
|
2-methylpropan-2-ol
|
|
gptkbp:KEGGID
|
C01340
|
|
gptkbp:meltingPoint
|
25.5 °C
|
|
gptkbp:molecularWeight
|
74.12 g/mol
|
|
gptkbp:NFPA704
|
Health 1, Flammability 3, Instability 0
|
|
gptkbp:pKa
|
19.2
|
|
gptkbp:producedBy
|
hydration of isobutene
|
|
gptkbp:PubChem_CID
|
45898
6386
CHEMBL15343
|
|
gptkbp:refractiveIndex
|
1.387 (20 °C)
|
|
gptkbp:relatedTo
|
isobutanol
n-butanol
sec-butanol
|
|
gptkbp:riskFactor
|
flammable
irritant
|
|
gptkbp:routeOfExposure
|
inhalation
ingestion
skin contact
eye contact
|
|
gptkbp:solubility
|
miscible
|
|
gptkbp:UNII
|
KD01701U3P
|
|
gptkbp:uses
|
solvent
intermediate in organic synthesis
denaturant
|
|
gptkbp:vaporPressure
|
40 mmHg (20 °C)
|
|
gptkbp:bfsParent
|
gptkb:tert-butyl_hydroperoxide
|
|
gptkbp:bfsLayer
|
7
|