Results for:
PubChem ID: 8110

1-isocyanatobutane

Compound Details

Synonymous names
Butyl isocyanate
1-Isocyanatobutane
111-36-4
N-BUTYL ISOCYANATE
Butane, 1-isocyanato-
Isocyanic Acid Butyl Ester
1-Butyl isocyanate
Isocyanic acid, butyl ester
BIC
1-Isocyanato-butane
CHEBI:136519
butylisocyanate
XM89T89J3W
DTXSID6026872
n-butylisocyanate
25067-04-3
Butyl isocyanate, n-
HSDB 5548
EINECS 203-862-8
UN2485
UNII-XM89T89J3W
butyl isocynate
1-Butylisocyanate
n-butyl-isocyanate
n-butyliso-cyanate
Butyl isocyanate, 98%
n-C4H9NCO
Epitope ID:122969
EC 203-862-8
Isocyanic acid n-butyl ester
BUTYL ISOCYANATE [MI]
CHEMBL27104
DTXCID106872
N-BUTYL ISOCYANATE [HSDB]
Tox21_200437
BBL027371
MFCD00002046
STL308735
AKOS000120793
GS-3292
MCULE-3381327717
UN 2485
NCGC00248614-01
NCGC00257991-01
CAS-111-36-4
n-Butyl isocyanate [UN2485] [Poison]
DB-040967
I0118
NS00007113
EN300-20857
J-519964
Q15632798
Microorganism:

Yes

IUPAC name1-isocyanatobutane
SMILESCCCCN=C=O
InchiInChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
FormulaC5H9NO
PubChem ID8110
Molweight99.13
LogP2.3
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisocyanates nitrogen compounds
CHEBI-ID136519

mVOC Specific Details

Boiling Point
DegreeReference
115 °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 n-butyl 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). n-Butyl isocyanate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.6 mm Hg at 25 °C(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 n-butyl 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
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno