Results for:
chemical Classification: nitrogen compounds

Ethyl Nitrite

Compound Details

Synonymous names
ETHYL NITRITE
109-95-5
Hyponitrous ether
Nitrosyl ethoxide
Nitrous ethyl ether
Nitrous ether
Nitrous acid, ethyl ester
Ethyl-nitrite-
FEMA No. 2446
Ethylester kyseliny dusite
HSDB 416
nitrous acid ethyl ester
EINECS 203-722-6
UNII-8C7CJ279RV
BRN 1699562
8C7CJ279RV
DTXSID9046574
AI3-25307
DTXCID7026574
NCGC00166242-01
ETHYL NITRITE (MART.)
ETHYL NITRITE [MART.]
Ethylester kyseliny dusite [Czech]
UN1194
Ethylnitrite
ETHYL NITRITE [MI]
ETHYL NITRITE [FHFI]
ETHYL NITRITE [HSDB]
CHEMBL1551365
FEMA 2446
CHEBI:173313
Tox21_112368
CAS-109-95-5
DB-230463
E0152
NS00020727
A802116
Q3342209
Microorganism:

Yes

IUPAC nameethyl nitrite
SMILESCCON=O
InchiInChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
FormulaC2H5NO2
PubChem ID8026
Molweight75.07
LogP0.4
Atoms5
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationnitrogen compounds nitriles
CHEBI-ID173313
Supernatural-IDSN0312864

mVOC Specific Details

Boiling Point
DegreeReference
17 °C peer reviewed
Volatilization
The Henry's Law constant for ethyl nitrite is estimated as 8.7X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that ethyl nitrite is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). Ethyl nitrite's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl nitrite from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 620 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl nitrite can be estimated to be 81(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl nitrite is expected to have high mobility in soil.
Vapor Pressure
PressureReference
620
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


But-3-enenitrile

Compound Details

Synonymous names
3-BUTENENITRILE
Allyl cyanide
but-3-enenitrile
109-75-1
3-Butenylnitrile
Vinylacetonitrile
3-Butenonitrile
Allylnitrile
3-Cyanopropene
3-Cyano-1-propene
1-Butene-4-nitrile
Propene-3-nitrile
Allylkyanid
Acetonitrile, vinyl-
beta-Butenonitrile
allylcyanide
.beta.-Butenonitrile
2-Butenol-1
TL 350
NSC 2583
Allyl cyanide, 98%
CH2=CHCH2CN
527U1WJJ18
NSC-2583
MFCD00001962
Allylkyanid [Czech]
1-Butene-3-nitrile
1-Propene-3-nitrile
EINECS 203-701-1
UNII-527U1WJJ18
AI3-18438
Vinyl-Acetonitrile
beta -butenonitrile
2-Propenyl cyanide
3-Butenenitrile, 9CI
EC 203-701-1
ALLYL CYANIDE [MI]
WLN: NC2U1
DTXSID6021905
NSC2583
CHEBI:183063
STL301993
AKOS000166696
DB-000183
A0227
NS00008240
EN300-56336
H10716
InChI=1/C4H5N/c1-2-3-4-5/h2H,1,3H
J-002325
Q1321290
Microorganism:

Yes

IUPAC namebut-3-enenitrile
SMILESC=CCC#N
InchiInChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
FormulaC4H5N
PubChem ID8009
Molweight67.09
LogP0.4
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitrogen compounds nitriles
CHEBI-ID183063
Supernatural-IDSN0347218

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


2-propylidenepropanedinitrile

Compound Details

Synonymous names
Dicyanobutene
2-propylidenepropanedinitrile
52833-34-8
2-Propylidenemalononitrile
2-Propylidene-malononitrile
Butene, dicyano-
55462-98-1
Propanedinitrile, propylidene-
2-Propylidenemalononitrile #
SCHEMBL3065105
Propanedinitrile, 2-propylidene-
DTXSID40204025
JKBPBRLDGFKIIA-UHFFFAOYSA-N
MFCD06213931
AS-5928
AT14807
DB-261416
CS-0331866
Microorganism:

Yes

IUPAC name2-propylidenepropanedinitrile
SMILESCCC=C(C#N)C#N
InchiInChI=1S/C6H6N2/c1-2-3-6(4-7)5-8/h3H,2H2,1H3
FormulaC6H6N2
PubChem ID180511
Molweight106.13
LogP1.2
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitriles nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno