Results for:
chemical Classification: oximes

Ethyl (2E)-2-methoxyimino-3-oxobutanoate

Compound Details

Synonymous names
60846-14-2
2,3-Dioxobutyric acid 2-methyloxime ethyl ester
ethyl (2E)-2-methoxyimino-3-oxobutanoate
BUTYRIC ACID, 2,3-DIOXO-, 2-METHYLOXIME, ETHYL ESTER
ETHYL (2Z)-2-METHOXYIMINO-3-OXO-BUTANOATE
66340-86-1
AI3-19974
Ethyl 2-(methoxyimino)-3-oxobutanoate
Butanoic acid, 2-(methoxyimino)-3-oxo-, ethyl ester
SCHEMBL16767840
HASOOENYFDJEAK-SOFGYWHQSA-N
Acetyl(ethoxycarbonyl)methoxyiminomethane
DB-307869
Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate #
(Z)-2-(Methoxyimino)-3-oxo-butanoicAcidEthylEster
(Z)-2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester
Microorganism:

Yes

IUPAC nameethyl (2E)-2-methoxyimino-3-oxobutanoate
SMILESCCOC(=O)C(=NOC)C(=O)C
InchiInChI=1S/C7H11NO4/c1-4-12-7(10)6(5(2)9)8-11-3/h4H2,1-3H3/b8-6+
FormulaC7H11NO4
PubChem ID9570661
Molweight173.17
LogP0.8
Atoms12
Bonds5
H-bond Acceptor5
H-bond Donor0
Chemical Classificationketones nitrogen compounds oximes esters

mVOC Specific Details


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


(2Z)-2-hydroxyimino-1-phenylethanone

Compound Details

Synonymous names
2-Isonitrosoacetophenone
532-54-7
2-oxo-2-phenylacetaldehyde oxime
(E)-2-oxo-2-phenylacetaldehyde oxime
2-isonitroso-acetophenone
SCHEMBL1370683
MLNKXLRYCLKJSS-TWGQIWQCSA-N
2-(N-hydroxyimino)-1-phenylethanone
H11300
Microorganism:

Yes

IUPAC name(2Z)-2-hydroxyimino-1-phenylethanone
SMILESC1=CC=C(C=C1)C(=O)C=NO
InchiInChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6-
FormulaC8H7NO2
PubChem ID6399451
Molweight149.15
LogP2.1
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids ketones nitrogen compounds aromatic ketones oximes

mVOC Specific Details


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 (Z)-N-hydroxybenzenecarboximidate

Compound Details

Synonymous names
Oxime-, methoxy-phenyl-_
67160-14-9
Methyl N-hydroxybenzimidate
SCHEMBL8530447
HUYDCTLGGLCUTE-HJWRWDBZSA-N
Methyl N-hydroxybenzenecarboximidoate #
methyl (z)-N-hydroxybenzenecarboximidate
Benzenecarboximidic acid, N-hydroxy-, methyl ester
Microorganism:

Yes

IUPAC namemethyl (Z)-N-hydroxybenzenecarboximidate
SMILESCOC(=NO)C1=CC=CC=C1
InchiInChI=1S/C8H9NO2/c1-11-8(9-10)7-5-3-2-4-6-7/h2-6,10H,1H3/b9-8-
FormulaC8H9NO2
PubChem ID9602988
Molweight151.16
LogP2
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationethers aromatic compounds nitrogen compounds benzenoids oximes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNAGao et al. 2018
ProkaryotaAcinetobacter RadioresistensNATimm et al. 2018
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaEscherichia ColiNACeleiro et al. 2020
ProkaryotaBacillus AmyloliquefaciensAgriculture University of Nanjing, ChinaTahir et al. 2017
ProkaryotaShewanella Algaenasea sediment in east China coastGong et al. 2015
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Bacillus ThuringiensisKoilybayeva et al. 2023
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus AcidiproducensKoilybayeva et al. 2023
Bacillus CereusKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
ProkaryotaAcinetobacter RadioresistensMOPS glucoseSPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucose+EZSPME, GC-MSno
ProkaryotaPseudomonas AeruginosaMOPS glucose+EZSPME, GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
ProkaryotaPseudomonas Sp.ANGLE mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, ANGLE mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensLBSPME-GC-MSno
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Bacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


N-propan-2-ylidenehydroxylamine

Mass-Spectra

Compound Details

Synonymous names
Acetone oxime
127-06-0
Acetoxime
propan-2-one oxime
2-Propanone, oxime
Acetonoxime
2-Propanone oxime
Acetone, oxime
N-propan-2-ylidenehydroxylamine
.beta.-Isonitrosopropane
propan-2-oneoxime
MFCD00002118
QX74TFD64T
NSC-7601
beta-Isonitrosopropane
CCRIS 5
NSC 7601
EINECS 204-820-1
UNII-QX74TFD64T
BRN 1560146
dimethylnitrone
propanone oxime
AI3-52259
?Acetone oxime
Propane-2-one oxime
ACETONE-OXIME
Acetone oxime, 98%
ACETONE OXIME,
ACETOXIME [MI]
N-hydroxypropan-2-imine
EC 204-820-1
N-isopropylidenehydroxylamine
N-isopropylidene-hydroxylamine
4-01-00-03202 (Beilstein Handbook Reference)
(CH3)2C=NOH
WLN: QNUY1 & 1
DTXSID6020010
CHEBI:15349
HSDB 8484
NSC7601
N-(propan-2-ylidene)hydroxylamine
STL185580
AKOS005068118
AM90369
CS-W009556
MCULE-3243100216
Propan-2-one oxime(Chunks or pellets)
Acetone oxime, purum, >=98.0% (GC)
DB-062562
A0065
NS00010056
EN300-31960
Acetone oxime, Vetec(TM) reagent grade, 98%
C01995
D70154
A805635
InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H
J-005459
Q16744025
F0001-0388
Microorganism:

Yes

IUPAC nameN-propan-2-ylidenehydroxylamine
SMILESCC(=NO)C
InchiInChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
FormulaC3H7NO
PubChem ID67180
Molweight73.09
LogP0.1
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationketoximes oximes
CHEBI-ID15349
Supernatural-IDSN0297406

mVOC Specific Details

Boiling Point
DegreeReference
133 °C peer reviewed
Volatilization
The Henry's Law constant for acetoxime is estimated as 7.8X10-6 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoxime 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 4 days(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 33 days(SRC). Acetoxime is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.82 mm Hg(3)(SRC).
Soil Adsorption
The Koc of acetoxime is estimated as 1.3(SRC), using a log Kow of 0.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that acetoxime is expected to have very high mobility in soil.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno


4-[C-[4-(diethylamino)phenyl]-N-methoxycarbonimidoyl]-N,N-diethylaniline

Compound Details

Synonymous names
55281-97-5
SCHEMBL216089
Methanone, bis[4-(diethylamino)phenyl]-, O-methyloxime
KTBIYWPLAAVANT-UHFFFAOYSA-N
DB-326064
Bis[4-(diethylamino)phenyl]methanone o-methyloxime #
BIS[4-(DIETHYLAMINO)PHENYL ]METHANONE O-METHYL OXIME
Microorganism:

No

IUPAC name4-[C-[4-(diethylamino)phenyl]-N-methoxycarbonimidoyl]-N,N-diethylaniline
SMILESCCN(CC)C1=CC=C(C=C1)C(=NOC)C2=CC=C(C=C2)N(CC)CC
InchiInChI=1S/C22H31N3O/c1-6-24(7-2)20-14-10-18(11-15-20)22(23-26-5)19-12-16-21(17-13-19)25(8-3)9-4/h10-17H,6-9H2,1-5H3
FormulaC22H31N3O
PubChem ID631850
Molweight353.5
LogP5.6
Atoms26
Bonds9
H-bond Acceptor4
H-bond Donor0
Chemical Classificationamines aromatic compounds benzenoids nitrogen compounds oximes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


Methyl (E)-N-hydroxybenzenecarboximidate

Compound Details

Synonymous names
methyl N-hydroxybenzenecarboximidate
67160-14-9
DTXSID301016724
Microorganism:

Yes

IUPAC namemethyl (E)-N-hydroxybenzenecarboximidate
SMILESCOC(=NO)C1=CC=CC=C1
InchiInChI=1S/C8H9NO2/c1-11-8(9-10)7-5-3-2-4-6-7/h2-6,10H,1H3/b9-8+
FormulaC8H9NO2
PubChem ID5371962
Molweight151.16
LogP2
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids ethers nitrogen compounds oximes

mVOC Specific Details


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


[(1E)-1-methoxyimino-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-yl] 2-(1-trimethylsilylindol-3-yl)acetate

Compound Details

Synonymous names
LFMLHOXMEIEAPQ-STKMKYKTSA-N
D-Glucose, 3,4,5,6-tetrakis-O-(trimethylsilyl)-, O-methyloxime, 2-[1-(trimethylsilyl)-1H-indole-3-acetate]
Microorganism:

Yes

IUPAC name[(1E)-1-methoxyimino-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-yl] 2-(1-trimethylsilylindol-3-yl)acetate
SMILESCON=CC(C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CC1=CN(C2=CC=CC=C21)[Si](C)(C)C
InchiInChI=1S/C32H62N2O7Si5/c1-36-33-22-28(38-30(35)21-25-23-34(42(2,3)4)27-20-18-17-19-26(25)27)31(40-45(11,12)13)32(41-46(14,15)16)29(39-44(8,9)10)24-37-43(5,6)7/h
FormulaC32H62N2O7Si5
PubChem ID9603817
Molweight727.3
LogP0
Atoms46
Bonds19
H-bond Acceptor8
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters heterocyclic compounds nitrogen compounds organosilicon compounds oximes

mVOC Specific Details


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


(17E)-17-ethoxyimino-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol

Compound Details

Synonymous names
Equilin, O-ethyloxime
SNSWYZBSHBRVQZ-XUTLUUPISA-N
Microorganism:

Yes

IUPAC name(17E)-17-ethoxyimino-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
SMILESCCON=C1CCC2C1(CCC3C2=CCC4=C3C=CC(=C4)O)C
InchiInChI=1S/C20H25NO2/c1-3-23-21-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-20(18,19)2/h5-7,12,16,18,22H,3-4,8-11H2,1-2H3/b21-19+
FormulaC20H25NO2
PubChem ID91742006
Molweight311.4
LogP3.9
Atoms23
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids nitrogen compounds oximes phenols

mVOC Specific Details


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


1-N',2-N'-bis(2-chlorophenyl)-1-N,2-N-dihydroxyethanediimidamide

Compound Details

Synonymous names
PABLIIZYRHGLJB-UHFFFAOYSA-N
STL575088
AKOS001710166
Aminoglyoxime, N,N'-bis(2-chlorophenyl)-
(1Z,2Z)-N~1~,N~2~-bis(2-chlorophenyl)-N'~1~,N'~2~-dihydroxyethanediimidamide
Microorganism:

No

IUPAC name1-N',2-N'-bis(2-chlorophenyl)-1-N,2-N-dihydroxyethanediimidamide
SMILESC1=CC=C(C(=C1)N=C(C(=NC2=CC=CC=C2Cl)NO)NO)Cl
InchiInChI=1S/C14H12Cl2N4O2/c15-9-5-1-3-7-11(9)17-13(19-21)14(20-22)18-12-8-4-2-6-10(12)16/h1-8,21-22H,(H,17,19)(H,18,20)
FormulaC14H12Cl2N4O2
PubChem ID135496947
Molweight339.2
LogP4.3
Atoms22
Bonds5
H-bond Acceptor4
H-bond Donor4
Chemical Classificationaromatic compounds benzenoids chlorides halogenated compounds imines nitrogen compounds oximes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno