Results for:
PubChem ID: 8022

Isocyanatoethane

Compound Details

Synonymous names
ETHYL ISOCYANATE
109-90-0
Isocyanatoethane
Ethane, isocyanato-
Isocyanic acid, ethyl ester
Isocyanic acid ethyl ester
isocyanato-ethane
ethylisocyanate
B02YQ4MIR0
NSC-89687
HSDB 6318
EINECS 203-717-9
NSC 89687
UN2481
UNII-B02YQ4MIR0
ethyisocyanate
ethy isocyanate
ethyl isocynate
ehtyl isocyanate
ethyl-isocyanate
AI3-28798
isocyanato ethane
EtNCO
1-Isocyanatoethane #
Ethyl isocyanate, 98%
C2H5NCO
WLN: OCN2
ISOCYANATOETHANE [HSDB]
DTXSID5059379
CHEBI:85107
NSC89687
MFCD00002042
STL183828
AKOS000202534
MCULE-6522145601
UN 2481
BP-12657
I0123
NS00023531
EN300-21141
Ethyl isocyanate [UN2481] [Flammable liquid]
InChI=1/C3H5NO/c1-2-4-3-5/h2H2,1H
Q18214960
F2190-0557
Microorganism:

Yes

IUPAC nameisocyanatoethane
SMILESCCN=C=O
InchiInChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3
FormulaC3H5NO
PubChem ID8022
Molweight71.08
LogP1.4
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisocyanates
CHEBI-ID85107

mVOC Specific Details

Boiling Point
DegreeReference
60 °C peer reviewed
Volatilization
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for ethyl isocyanate in moist soil and water(SRC). Volatilization from moist soil and water surfaces is not expected to compete with hydrolysis as an important removal process(SRC). Ethyl isocyanate may volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 200 mm Hg at 25 °C(SRC), determined using a structure estimation method(2).
Soil Adsorption
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for ethyl isocyanate in moist soil and water(SRC). Adsorption to soil and sediment is not expected to compete with hydrolysis as an important environmental process(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAKolk et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9 OADCTD/GC-MSno