Results for:
chemical Classification: nitrites

3-methylbutyl Nitrite

Compound Details

Synonymous names
ISOAMYL NITRITE
Isopentyl nitrite
110-46-3
3-Methylbutyl nitrite
Vaporole
Amilnitrite
Aspiral
3-Methylbutanol nitrite
Nitrous acid, 3-methylbutyl ester
Pentanoli nitris
Nitrous acid, isopentyl ester
Amyl nitrite I
Isopentyl alcohol, nitrite
Nitramyl (VAN)
Amyl nitrite (VAN)
Amyl nitrit
Amyl nitrite [USAN]
iso-amyl nitrite
NSC 7903
Isoamylnitrite
CCRIS 1098
HSDB 606
iso-amylnitrite
UNII-5N0U5TUC9Z
EINECS 203-770-8
5N0U5TUC9Z
Vaporole (TN)
Aspiral (TN)
BRN 0969510
CHEBI:2691
DTXSID9025455
AI3-25183
NSC-7903
DTXCID402605
NCI-C50179
MFCD00002057
NCGC00091066-01
Amilnitrit
CAS-110-46-3
isopentylnitrit
Amylnitrit
isoamyInitrite
isopentylnitrite
Nitrite, Amyl
Nitrous acid 3-methylbutyl ester
Vaporole amyl nitrite
Isopentyl alcohol nitrite
Nitrite Isopentyl alcohol
Isopentyl nitrite, 96%
WLN: ONO2Y
AMYL NITRITE [JAN]
3-methyl-1-nitrosooxybutane
isopentyl ester Nitrous acid
AMYL NITRITE [HSDB]
SCHEMBL23785
Amyl nitrite (JP15/USP)
Amyl nitrite (JP17/USP)
ISOAMYL NITRITE [MI]
3-methyl-1-nitrosooxy-butane
AMYL NITRITE (MART.)
CHEMBL1535371
AMY3781
Isoamyl nitrite 97%, stabilized
NSC7903
Tox21_111074
Tox21_200983
AMYL NITRITE (USP MONOGRAPH)
STL264239
AKOS009157290
Isopentyl nitrite, >=97.0% (GC)
MCULE-5177168468
NCGC00091066-02
NCGC00258536-01
LS-13086
DB-002757
I0089
NS00005900
EN300-35960
C07457
D00517
SR-01000944365
J-802226
SR-01000944365-1
Q27888090
F0001-0219
Isoamyl nitrite, stab. with 0.2% anhyd. sodium carbonate
InChI=1/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H
Microorganism:

Yes

IUPAC name3-methylbutyl nitrite
SMILESCC(C)CCON=O
InchiInChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
FormulaC5H11NO2
PubChem ID8053
Molweight117.15
LogP1.7
Atoms8
Bonds3
H-bond Acceptor3
H-bond Donor0
Chemical Classificationnitrites nitrogen compounds
CHEBI-ID55344
Supernatural-IDSN0276849

mVOC Specific Details

Boiling Point
DegreeReference
99.2 °C peer reviewed

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Methyl Nitrite

Compound Details

Synonymous names
Methyl nitrite
624-91-9
Nitrous acid, methyl ester
Methylester kyseliny dusite
96TLP8RN37
HSDB 7197
Methylester kyseliny dusite [Czech]
EINECS 210-870-5
Methyl nitrite [Forbidden]
UNII-96TLP8RN37
METHYLNITRITE
CH3ONO
Methyl ester of nitrous acid
METHYL NITRITE [HSDB]
DTXSID8060795
AKOS006277932
NS00043421
Q2730177
Microorganism:

Yes

IUPAC namemethyl nitrite
SMILESCON=O
InchiInChI=1S/CH3NO2/c1-4-2-3/h1H3
FormulaCH3NO2
PubChem ID12231
Molweight61.04
LogP0
Atoms4
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationnitrates nitrogen compounds nitrites

mVOC Specific Details

Boiling Point
DegreeReference
64.6 °C peer reviewed
Volatilization
The Henry's Law constant for methyl nitrite is estimated as 6.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl 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 7.8 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 6.2 days(SRC). Methyl nitrite's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl nitrite from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 1,600 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 methyl nitrite can be estimated to be 44(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl nitrite is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno