Results for:
chemical Classification: dioxanes

2-heptyl-6-methyl-1,3-dioxan-4-one

Compound Details

Synonymous names
CQFQJBVIUHQQMR-UHFFFAOYSA-N
1,3-Dioxan-4-one, 2-heptyl-6-methyl
2-Heptyl-6-methyl-1,3-dioxan-4-one #
Microorganism:

Yes

IUPAC name2-heptyl-6-methyl-1,3-dioxan-4-one
SMILESCCCCCCCC1OC(CC(=O)O1)C
InchiInChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3
FormulaC12H22O3
PubChem ID550334
Molweight214.3
LogP3.7
Atoms15
Bonds6
H-bond Acceptor3
H-bond Donor0
Chemical Classificationesters dioxanes heterocyclic compounds ethers

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


2,6-dimethyl-1,3-dioxan-4-ol

Compound Details

Synonymous names
2,6-Dimethyl-1,3-dioxan-4-ol
4740-77-6
1,3-Dioxan-4-ol, 2,6-dimethyl-
2,6-dimethyl-1,3-dioxane-4-ol
Aldoxane
EINECS 225-247-3
m-Dioxan-4-ol, 2,6-dimethyl-
SCHEMBL238621
DTXSID40884109
2,6-Dimethyl-1,3-dioxan-4-ol #
AKOS006294418
NS00045573
Microorganism:

Yes

IUPAC name2,6-dimethyl-1,3-dioxan-4-ol
SMILESCC1CC(OC(O1)C)O
InchiInChI=1S/C6H12O3/c1-4-3-6(7)9-5(2)8-4/h4-7H,3H2,1-2H3
FormulaC6H12O3
PubChem ID107329
Molweight132.16
LogP0.5
Atoms9
Bonds0
H-bond Acceptor3
H-bond Donor1
Chemical Classificationalcohols dioxanes heterocyclic compounds

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


2-methylidene-1,4-dioxane

Compound Details

Synonymous names
p-Dioxane, methylene-
3984-19-8
2-methylidene-1,4-dioxane
p-Dioxane,methylene-
methylenedioxane
NSC76996
NCIOpen2_000776
2-Methylene-1,4-dioxane #
SCHEMBL452778
DTXSID20291650
UUDRRSKRJPTTOK-UHFFFAOYSA-N
NSC-76996
Microorganism:

No

IUPAC name2-methylidene-1,4-dioxane
SMILESC=C1COCCO1
InchiInChI=1S/C5H8O2/c1-5-4-6-2-3-7-5/h1-4H2
FormulaC5H8O2
PubChem ID253762
Molweight100.12
LogP0.3
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationdioxanes heterocyclic compounds

mVOC Specific Details


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


3,3-dimethyl-4-(methylamino)butan-2-one

Compound Details

Synonymous names
3,3-dimethyl-4-(methylamino)butan-2-one
3,3-Dimethyl-4-methylamino-butan-2-one
123528-99-4
2-Butanone, 3,3-dimethyl-4-(methylamino)- (9CI)
SCHEMBL12798153
QPKSAEVZZQMSER-UHFFFAOYSA-N
AKOS006353915
DB-281219
3,3-Dimethyl-4-(methylamino)-2-butanone #
2-BUTANONE, 3,3-DIMETHYL-4-(METHYLAMINO)-
Microorganism:

Yes

IUPAC name3,3-dimethyl-4-(methylamino)butan-2-one
SMILESCC(=O)C(C)(C)CNC
InchiInChI=1S/C7H15NO/c1-6(9)7(2,3)5-8-4/h8H,5H2,1-4H3
FormulaC7H15NO
PubChem ID541550
Molweight129.2
LogP0.4
Atoms9
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationamines dioxanes esters heterocyclic compounds nitrogen compounds pyrazoles
Supernatural-IDSN0311650

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fusarium GraminearumBallot et al. 2023
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


[5-[[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methanol

Compound Details

Synonymous names
SCHEMBL10085150
YBVKMYWBUUDPAG-UHFFFAOYSA-N
5,5'-oxydimethylenebis(2-phenyl-1,3-dioxan-5-ylmethanol)
{oxybis[methanediyl(2-phenyl-1,3-dioxane-5,5-diyl)]}dimethanol
1,3-Dioxane-5-methanol, 5,5'-[oxybis(methylene)]bis[2-phenyl-
Microorganism:

No

IUPAC name[5-[[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methanol
SMILESC1C(COC(O1)C2=CC=CC=C2)(CO)COCC3(COC(OC3)C4=CC=CC=C4)CO
InchiInChI=1S/C24H30O7/c25-11-23(15-28-21(29-16-23)19-7-3-1-4-8-19)13-27-14-24(12-26)17-30-22(31-18-24)20-9-5-2-6-10-20/h1-10,21-22,25-26H,11-18H2
FormulaC24H30O7
PubChem ID58807544
Molweight430.5
LogP1.2
Atoms31
Bonds8
H-bond Acceptor7
H-bond Donor2
Chemical Classificationalcohols aromatic compounds benzenoids dioxanes ethers heterocyclic compounds

mVOC Specific Details


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


Ethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate

Compound Details

Synonymous names
SCHEMBL2801691
3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)amino-4-carbethoxy-pyrazole
Ethyl 3-([(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino)-1H-pyrazole-4-carboxylate #
Ethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate
Microorganism:

No

IUPAC nameethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1=C(NN=C1)NC=C2C(=O)OC(OC2=O)(C)C
InchiInChI=1S/C13H15N3O6/c1-4-20-10(17)7-6-15-16-9(7)14-5-8-11(18)21-13(2,3)22-12(8)19/h5-6H,4H2,1-3H3,(H2,14,15,16)
FormulaC13H15N3O6
PubChem ID540759
Molweight309.27
LogP1.8
Atoms22
Bonds5
H-bond Acceptor8
H-bond Donor2
Chemical Classificationamines aromatic compounds dioxanes esters heterocyclic compounds nitrogen compounds pyrazoles

mVOC Specific Details


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