Results for:
chemical Classification: sulfites

Decyl Propan-2-yl Sulfite

Compound Details

Synonymous names
Sulfurous acid, decyl 2-propyl ester
FJBUSDYACCIUEW-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namedecyl propan-2-yl sulfite
SMILESCCCCCCCCCCOS(=O)OC(C)C
InchiInChI=1S/C13H28O3S/c1-4-5-6-7-8-9-10-11-12-15-17(14)16-13(2)3/h13H,4-12H2,1-3H3
FormulaC13H28O3S
PubChem ID6420364
Molweight264.43
LogP5.5
Atoms17
Bonds12
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfites sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShewanella Algaenasea sediment in east China coastGong et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSno


Nonyl Propan-2-yl Sulfite

Compound Details

Synonymous names
Sulfurous acid, nonyl 2-propyl ester
VNJPNCNTXDKLLQ-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namenonyl propan-2-yl sulfite
SMILESCCCCCCCCCOS(=O)OC(C)C
InchiInChI=1S/C12H26O3S/c1-4-5-6-7-8-9-10-11-14-16(13)15-12(2)3/h12H,4-11H2,1-3H3
FormulaC12H26O3S
PubChem ID6420392
Molweight250.4
LogP5
Atoms16
Bonds11
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites
Supernatural-IDSN0394952

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


Hexyl Pentadecyl Sulfite

Compound Details

Synonymous names
Sulfurous acid, hexyl pentadecyl ester
LHGBBFDLVVADNF-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namehexyl pentadecyl sulfite
SMILESCCCCCCCCCCCCCCCOS(=O)OCCCCCC
InchiInChI=1S/C21H44O3S/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24-25(22)23-20-18-8-6-4-2/h3-21H2,1-2H3
FormulaC21H44O3S
PubChem ID6420414
Molweight376.6
LogP9.7
Atoms25
Bonds21
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites

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-ethylhexyl Nonyl Sulfite

Compound Details

Synonymous names
Sulfurous acid, 2-ethylhexyl nonyl ester
RLPZSBCGYLETMW-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name2-ethylhexyl nonyl sulfite
SMILESCCCCCCCCCOS(=O)OCC(CC)CCCC
InchiInChI=1S/C17H36O3S/c1-4-7-9-10-11-12-13-15-19-21(18)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3
FormulaC17H36O3S
PubChem ID6420774
Molweight320.5
LogP7.3
Atoms21
Bonds16
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites
Supernatural-IDSN0328774

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


Hexyl Octyl Sulfite

Compound Details

Synonymous names
Sulfurous acid, hexyl octyl ester
PEKJAKSJHKAMFP-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namehexyl octyl sulfite
SMILESCCCCCCCCOS(=O)OCCCCCC
InchiInChI=1S/C14H30O3S/c1-3-5-7-9-10-12-14-17-18(15)16-13-11-8-6-4-2/h3-14H2,1-2H3
FormulaC14H30O3S
PubChem ID6420812
Molweight278.45
LogP5.9
Atoms18
Bonds14
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Aspergillus Nigerinoculated potato samplesGC-MSno


Nonyl Pentyl Sulfite

Compound Details

Synonymous names
Sulfurous acid, nonyl pentyl ester
PUOIONCXTGGRRG-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namenonyl pentyl sulfite
SMILESCCCCCCCCCOS(=O)OCCCCC
InchiInChI=1S/C14H30O3S/c1-3-5-7-8-9-10-12-14-17-18(15)16-13-11-6-4-2/h3-14H2,1-2H3
FormulaC14H30O3S
PubChem ID6421048
Molweight278.45
LogP5.9
Atoms18
Bonds14
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites

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-methylpropyl Pentan-2-yl Sulfite

Compound Details

Synonymous names
Sulfurous acid, isobutyl 2-pentyl ester
JAJGQJLIYKUYRC-UHFFFAOYSA-N
Microorganism:

No

IUPAC name2-methylpropyl pentan-2-yl sulfite
SMILESCCCC(C)OS(=O)OCC(C)C
InchiInChI=1S/C9H20O3S/c1-5-6-9(4)12-13(10)11-7-8(2)3/h8-9H,5-7H2,1-4H3
FormulaC9H20O3S
PubChem ID6421057
Molweight208.32
LogP3.2
Atoms13
Bonds7
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas (Umbria, Tuscany )Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


Octyl Pentan-2-yl Sulfite

Compound Details

Synonymous names
Sulfurous acid, octyl 2-pentyl ester
BNXBRSVVGVEWKZ-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC nameoctyl pentan-2-yl sulfite
SMILESCCCCCCCCOS(=O)OC(C)CCC
InchiInChI=1S/C13H28O3S/c1-4-6-7-8-9-10-12-15-17(14)16-13(3)11-5-2/h13H,4-12H2,1-3H3
FormulaC13H28O3S
PubChem ID6421058
Molweight264.43
LogP5.3
Atoms17
Bonds12
H-bond Acceptor4
H-bond Donor0
Chemical Classificationsulfur compounds sulfites

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