Results for:
chemical Classification: lactones

(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one

Compound Details

Synonymous names
CHEMBL478807
Microorganism:

Yes

IUPAC name(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one
SMILESCCC(C)CCCC1CCCCC(=O)O1
InchiInChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
FormulaC13H24O2
PubChem ID10375901
Molweight212.333
LogP4.04
Atoms39
Bonds39
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone esters lactones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMarine Streptomycete (isolate B6007)n/an/a


Compound Details

Synonymous names
ADZMLQKJPQFTIS-BQYQJAHWSA-N
SCHEMBL2597364
(e)-dodec-5-en-4-olide
5-[(E)-1-Octenyl]tetrahydrofuran-2-one
4,5-Dihydro-5-(1-octenyl)-2(3H)-furanone
Microorganism:

Yes

IUPAC name
SMILES
Inchi
Formula
PubChem ID18466382
Molweight196.29
LogP3.55
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones alkenes esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a


5-[(Z)-oct-1-enyl]oxolan-2-one

Compound Details

Synonymous names
ADZMLQKJPQFTIS-FPLPWBNLSA-N
SCHEMBL2597365
(Z)-Dodec-5-en-4-olide
Microorganism:

Yes

IUPAC name5-[(Z)-oct-1-enyl]oxolan-2-one
SMILESCCCCCCC=CC1CCC(=O)O1
InchiInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h7-8,11H,2-6,9-10H2,1H3/b8-7-
FormulaC12H20O2
PubChem ID67469926
Molweight196.29
LogP3.55
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones alkenes esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a


(7R)-7-(4-methylpentyl)oxepan-2-one

Compound Details

Synonymous names
CHEMBL467698
(R)-7-Isohexyloxepane-2-one
Microorganism:

Yes

IUPAC name(7R)-7-(4-methylpentyl)oxepan-2-one
SMILESCC(C)CCCC1CCCCC(=O)O1
InchiInChI=1S/C12H22O2/c1-10(2)6-5-8-11-7-3-4-9-12(13)14-11/h10-11H,3-9H2,1-2H3/t11-/m1/s1
FormulaC12H22O2
PubChem ID10104200
Molweight198.306
LogP3.6
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMarine Streptomycete (isolate B6007)n/an/a


(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

Compound Details

Synonymous names
KWILGNNWGSNMPA-ZCFIWIBFSA-N
AC1Q6H2D
AC1L3FS8
Y30Y67M5SV
(R)-mellein
CTK4J0551
CHEMBL499303
UNII-Y30Y67M5SV
HE076016
ZINC4521655
4CN-1132
SCHEMBL13925629
(-)-Mellein
TX-012729
AKOS025295360
480-33-1
(R)-(-)-Mellein
MolPort-028-746-502
3,?4-?DIHYDRO-?8-?HYDROXY-?3-?METHYL-?1H-?2-?BENZOPYRAN-?1-?ONE
(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
(3R)-8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one, (R)-
(3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-, (R)-
Microorganism:

Yes

IUPAC name(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
SMILESCC1CC2=C(C(=CC=C2)O)C(=O)O1
InchiInChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
FormulaC10H10O3
PubChem ID114679
Molweight178.187
LogP2.58
Atoms23
Bonds24
H-bond Acceptor2
H-bond Donor1
Chemical Classificationmellein lactones alcohols esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Aspergillus SppJelen and Grabarkiewicz-Szczesna 2005
Fungi Lasidioplodia TheobromaeMatsumoto and Nago 1994
Fungi Parastagonospora NodorumChooi et al. 2015
Fungi Saccharoropolyspora ErythraeaSun et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Aspergillus Sppno
Fungi Lasidioplodia Theobromaeno
Fungi Parastagonospora Nodorumno
Fungi Saccharoropolyspora Erythraeano


Compound Details

Synonymous names
QFXOXDSHNXAFEY-SREVYHEPSA-N
AC1NS2BN
gamma-Dodecen-6-lactone
SCHEMBL309361
IUPAC Name :5
(Z)-dairy lactone
LP005460
cis-6-Dodecen-4-olide
CIS-4-HYDROXYDODEC-6-ENOIC ACID LACTONE
LMFA07040067
cis-4-Hydroxy-6-decenoic acid lactone
.gamma.-Dodec-cis-6-enolactone
cis-.gamma.-Dodec-6-enolactone
FEMA No. 3780
.gamma.-6-(Z)-Dodecenolactone
4-Hydroxy-6-dodecenoic acid lactone, cis-
6-Dodecen-4-olide, cis-
(Z)-4-Hydroxy-6-dodecenoic acid lactone
(Z)-6-Dodecen-4-olide
EINECS 242-497-9
(Z)-6-Dodecenyl-.gamma.-lactone
6-(Z)-Dodecen-.gamma.-lactone
18679-18-0
(Z)-6-dodeceno-.gamma.-lactone
(Z)-6-Dodecen-.gamma.-lactone
1,4-Dodec-6-enolactone, cis-
(Z)-Dodec-6-en-4-olide
5-[(Z)-2-Octenyl]tetrahydrofuran-2-one
5-[(Z)-oct-2-enyl]oxolan-2-one
5-[(2Z)-2-Octenyl]dihydro-2(3H)-furanone
(Z)-Dihydro-5-(2-octenyl)furan-2(3H)-one
5-[(2Z)-oct-2-en-1-yl]oxolan-2-one
Dihydro-5-(2-octenyl)-2(3H)-furanone, (Z)-
2(3H)-Furanone, dihydro-5-(2Z)-2-octen-1-yl-
2(3H)-Furanone, dihydro-5-(2-octenyl)-, (Z)-
Microorganism:

Yes

IUPAC name
SMILES
Inchi
Formula
PubChem ID5352428
Molweight196.29
LogP3.39
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones alkenes esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaPlanococcus Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaPlanococcus Citreusn/an/a


2-(6-methyloctyl)-2H-furan-5-one

Compound Details

Synonymous names
OFMQUACVCCNBRR-UHFFFAOYSA-N
SCHEMBL16431359
10-methyldodec-2-en-4-olide
4-Hydroxy-10-methyl-2-dodecenoic acid-1,4-lactone
Microorganism:

Yes

IUPAC name2-(6-methyloctyl)-2H-furan-5-one
SMILESCCC(C)CCCCCC1C=CC(=O)O1
InchiInChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9-12H,3-8H2,1-2H3
FormulaC13H22O2
PubChem ID21778198
Molweight210.317
LogP4.43
Atoms37
Bonds37
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.Shows inhibitory growth effects against strain GWS-BW-H5.Dickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


5-(6-methyloctyl)-3H-furan-2-one

Compound Details

Synonymous names
LXECKBJXFXENSF-UHFFFAOYSA-N
SCHEMBL16431287
10-methyldodec-3-en-4-olide
Microorganism:

Yes

IUPAC name5-(6-methyloctyl)-3H-furan-2-one
SMILESCCC(C)CCCCCC1=CCC(=O)O1
InchiInChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3
FormulaC13H22O2
PubChem ID21778200
Molweight210.317
LogP3.71
Atoms37
Bonds37
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


5-(6-methyloctyl)oxolan-2-one

Compound Details

Synonymous names
PVESYPDFVMTIBG-UHFFFAOYSA-N
10-Methyldodecan-4-olide
SCHEMBL17867265
Microorganism:

Yes

IUPAC name5-(6-methyloctyl)oxolan-2-one
SMILESCCC(C)CCCCCC1CCC(=O)O1
InchiInChI=1S/C13H24O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h11-12H,3-10H2,1-2H3
FormulaC13H24O2
PubChem ID21778195
Molweight212.333
LogP4.04
Atoms39
Bonds39
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


6-(5-methylheptyl)oxan-2-one

Compound Details

Synonymous names
UXLFQDAATOVVOK-UHFFFAOYSA-N
10-methyldodecan-5-olide
SCHEMBL17866723
Microorganism:

Yes

IUPAC name6-(5-methylheptyl)oxan-2-one
SMILESCCC(C)CCCCC1CCCC(=O)O1
InchiInChI=1S/C13H24O2/c1-3-11(2)7-4-5-8-12-9-6-10-13(14)15-12/h11-12H,3-10H2,1-2H3
FormulaC13H24O2
PubChem ID21778196
Molweight212.333
LogP4.04
Atoms39
Bonds39
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


2-(6-methylheptyl)-2H-furan-5-one

Compound Details

Synonymous names
MVMDDTZDLWMWNW-UHFFFAOYSA-N
SCHEMBL9991171
10-Methylundec-2-en-4-olide
4-Hydroxy-10-methyl-2-undecenoic acid-1,4-lactone
Microorganism:

Yes

IUPAC name2-(6-methylheptyl)-2H-furan-5-one
SMILESCC(C)CCCCCC1C=CC(=O)O1
InchiInChI=1S/C12H20O2/c1-10(2)6-4-3-5-7-11-8-9-12(13)14-11/h8-11H,3-7H2,1-2H3
FormulaC12H20O2
PubChem ID21778197
Molweight196.29
LogP3.99
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


5-(6-methylheptyl)-3H-furan-2-one

Compound Details

Synonymous names
YPYMVGCVXHDWKK-UHFFFAOYSA-N
SCHEMBL9992284
10-Methylundec-3-en-4-olide
Microorganism:

Yes

IUPAC name5-(6-methylheptyl)-3H-furan-2-one
SMILESCC(C)CCCCCC1=CCC(=O)O1
InchiInChI=1S/C12H20O2/c1-10(2)6-4-3-5-7-11-8-9-12(13)14-11/h8,10H,3-7,9H2,1-2H3
FormulaC12H20O2
PubChem ID21778199
Molweight196.29
LogP3.27
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


5-(6-methylheptyl)oxolan-2-one

Compound Details

Synonymous names
ORWDJDTZZDDVQQ-UHFFFAOYSA-N
10-Methylundecan-4-olide
SCHEMBL9993767
Microorganism:

Yes

IUPAC name5-(6-methylheptyl)oxolan-2-one
SMILESCC(C)CCCCCC1CCC(=O)O1
InchiInChI=1S/C12H22O2/c1-10(2)6-4-3-5-7-11-8-9-12(13)14-11/h10-11H,3-9H2,1-2H3
FormulaC12H22O2
PubChem ID21778194
Molweight198.306
LogP3.6
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


6-(5-methylhexyl)oxan-2-one

Compound Details

Synonymous names
HORZJHMTLLMPDU-UHFFFAOYSA-N
10-Methylundecan-5-olide
SCHEMBL9991083
Microorganism:

Yes

IUPAC name6-(5-methylhexyl)oxan-2-one
SMILESCC(C)CCCCC1CCCC(=O)O1
InchiInChI=1S/C12H22O2/c1-10(2)6-3-4-7-11-8-5-9-12(13)14-11/h10-11H,3-9H2,1-2H3
FormulaC12H22O2
PubChem ID21778193
Molweight198.306
LogP3.6
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


3,5-dimethyloxolan-2-one

Compound Details

Synonymous names
IYJMJJJBGWGVKX-UHFFFAOYSA-N
AC1L2HVT
2-Methyl-4-pentanolide
CTK1H0664
SCHEMBL576309
3,5-Dimethyltetrahydrofuran-2-one
3,5-dimethyldihydrofuran-2-one
NSC250665
3,5-dimethyloxolan-2-one
NSC-250665
AKOS015908174
I14-24246
3,5-Dimethyldihydro-2(3H)-furanone
5145-01-7
3,5-Dimethyldihydro-2(3H)-furanone #
DIHYDRO-3,5-DIMETHYL-2(3H)-FURANONE
2(3H)-Furanone, dihydro-3,5-dimethyl-
Microorganism:

Yes

IUPAC name3,5-dimethyloxolan-2-one
SMILESCC1CC(OC1=O)C
InchiInChI=1S/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3
FormulaC6H10O2
PubChem ID21227
Molweight114.144
LogP1.11
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaDinoroseobacter Sp.n/an/a


3-methyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
alpha-Methylbutyrolactone
methyl-butyrolactone
QGLBZNZGBLRJGS-UHFFFAOYSA-N
Gama-Valerolactone
2-methylbutyrolactone
alpha-Methyl-gamma-butyrolactone
2-Methylbutanolide
.alpha.-Methylbutyrolactone
ALPHA-METHYL-@-BUTYROLACTONE
AC1Q2RAU
2-Methyl-gamma-butyrolactone
Furanone, dihydromethyl-
3-methyltetrahydrofuran-2-one
2-methyl-gamma-butyro-lactone
3-methyldihydrofuran-2-one
CHEMBL36365
CTK1B6260
M1100
W3659
4-Hydroxy-2-methylbutanoic acid lactone
2-Methyl-4-butanolide
4-Hydroxy-2-methylbutyric acid lactone
AC1L4033
3-methyloxolan-2-one
SCHEMBL105334
alpha-Methyl-gamma-butyrolactone, 98%
2-Methyl-.gamma.-butyrolactone
EN002275
HE009418
HE317155
HE338493
NSC102837
KB468154
FCH1114986
CC-24010
BR-49468
AX8113541
ANW-47623
SC-20996
ST2405143
AK-49468
AB0022738
MFCD00005396
.alpha.-Methyl-.gamma.-butyrolactone
3-Methyl-dihydro-furan-2-one
C-30271
3-methyldihydrofuran-2(3H)-one
RT-003826
DB-043724
KB-236638
3-Methyldihydro-2(3H)-furanone
AM20090007
NSC-102837
AKOS015900293
J-010416
FT-0622180
2(3H)-Furanone, dihydromethyl-
I14-10761
3-methyl-dihydrofuran-2(3H)-one
EN300-94873
Dihydro-3-methyl-2(3H)-furanone
1679-47-6
EINECS 216-846-0
36541-25-0
MolPort-003-926-035
2(3H)-Furanone, dihydro-3-methyl-
alpha-Methyl-gamma-butyrolactone, purum, >=97.0% (GC)
Microorganism:

Yes

IUPAC name3-methyloxolan-2-one
SMILESCC1CCOC1=O
InchiInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
FormulaC5H8O2
PubChem ID98323
Molweight100.117
LogP0.69
Atoms15
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fusarium FujikuroiBrock et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fusarium Fujikuroino


2,4-dimethyl-2H-furan-5-one

Compound Details

Synonymous names
SAXRUMLUKZBSTO-UHFFFAOYSA-N
AC1L7XHD
CTK1H3825
SCHEMBL691387
CHEMBL253848
NSC252859
HE151970
DTXSID10312348
NSC-252859
5584-69-0
2,4-dimethyl-2H-furan-5-one
3,5-dimethylfuran-2(5H)-one
3,5-dimethyl-5H-furan-2-one
3,5-Dimethyl-2(5H)-furanone
2,4-Dimethylfuran-5(2H)-one
3,5-Dimethyl-2(5H)-furanone #
3,5-dimethyl-2,5-dihydrofuran-2-one
xi-3,5-Dimethyl-2(5H)-furanone
2-Furanone, 2,5-dihydro-3,5-dimethyl
Microorganism:

Yes

IUPAC name2,4-dimethyl-2H-furan-5-one
SMILESCC1C=C(C(=O)O1)C
InchiInChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3
FormulaC6H8O2
PubChem ID318158
Molweight112.128
LogP1.35
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


Oxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gammabutyrolactone
gamma-Hydroxybutyrolactone
BUTYROLACTONE
butyrolactonL
Butyrylactone
gamma Butyrolactone
gamma-Butanolactone
gamma-Butyrolactone
gamma-Butyryllactone
Hydroxybutanoic Acid Lactone
sigma-Butyrolactone
gama-Butyrolactone
gamma-Butalactone
YEJRWHAVMIAJKC-UHFFFAOYSA-N
2-Oxotetrahydrofuran
Butyryl lactone
g-Butyrolactone
g-Butyryllactone
gamma-Hydroxybutyric acid lactone
gamma-hydroxybutyric acid lactonL
y-Butyrolactone
Agrisynth BLO
BLON
butyrl lactone
g-Butalactone
gamma-Butyrolactone, analytical standard
4-Deoxytetronate
BLO
Butyric acid lactone
g-Hydroxybutyric acid lactone
gamma-butyro-lactone
gamma-Hydroxybutyric Acid cyclic ester
GBL
.gamma.-Hydroxybutyrolactone
4-butanolactone
4-Butyrolactone
4-butyrolactonL
4-Butanolide
4-Hydroxybutanoic acid lactone
AC1L1OGM
AC1Q6EQU
gamma BL
gamma-BL
Tetrahydro-2-furanone
tetrahydrofuran-2-one
2-Oxolanone
4-Deoxytetronic acid
4-Hydroxybutyric acid lactone
4-hydroxybutyric acid lactonL
No Go
.alpha.-Butyrolactone
.gamma.-Butanolactone
.gamma.-Butyrolactone
4-hydroxybutyric acid gamma-lactone
Dihydro-2-furanone
dihydrofuran-2-one
Dihyro-2-furanone
gamm a-hydroxybutyric acid cyclic ester
Gamma-Lactone 4-hydroxybutanoic acid
Gamma-Lactone 4-hydroxybutyric acid
Paint Clean G
gamma-Butyrolactone (natural)
.gamma.-Hydrooxybutyric acid lactone
.gamma.-Hydroxybutyric acid lactone
OL659KIY4X
1,4-Butyrolactone
GTPL5462
KSC492Q2B
oxolan-2-one
WLN: T5OVTJ
.gamma.-Hydroxybutyric acid cyclic ester
1-Oxacyclopentane-2-one
1,2-Butanolide
1,4-Butanolide
4-Hydroxybutyric acid, gamma-lactone
CHEMBL95681
dihydro-furan-2-one
Gamma-Lactone 4-hydroxy-butanoic acid
Gamma-Lactone 4-hydroxy-butyric acid
NSC4592
PubChem17411
UNII-OL659KIY4X
1-Oxacyclopentan-2-one
2(3H)-dihydrofuranone
A4867
and oxolan-2-one
B0767
CTK3J2820
HMDB00549
.gamma.-BL
1,4-Lactone
1,4-lactonL
4-hydroxy-Butanoic acid g-lactone
DB04699
EBD36709
LS40356
RP18446
C01770
CCRIS 2924
DSSTox_CID_224
gamma-6480
HSDB 4290
LTBB001793
AK116990
DTXSID6020224
HE027248
HE261495
HE261496
HE388064
HE419942
LS-2010
NSC 4592
NSC-4592
STL281877
ACMC-209s75
Butanoic acid, .gamma.-lactone
BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE
C-1070
CHEBI:42639
Dihydro-2(3H)-furanone
dihydrofuran-2(3H)-one
NCI-C55878
ZINC4658567
AJ-51844
AN-24351
ANW-40815
Butyric acid, .gamma.-lactone
Caswell No. 132B
DSSTox_GSID_20224
SC-18055
TRA0048639
DSSTox_RID_75445
LMFA07040004
ZINC04658567
4-Hydroxybutanoic acid, .gamma.-lactone
4-Hydroxybutyric acid, .gamma.-lactone
AI3-28121
KB-251543
RTR-032131
TR-032131
AKOS000119924
EPA Pesticide Chemical Code 122303
gamma-Butyrolactone, ReagentPlus(R), >=99%
I14-6510
J-513020
J-520327
Q-200482
endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride
FEMA No. 3291
FT-0622894
FT-0658293
gamma-Butyrolactone, >=99% (GC)
Tetrahydro-2-Furanone Dihydro-2(3H)-Furanone
.gamma.-6480
96-48-0
Dynasolve 699 (Salt/Mix)
Butanoic acid, 4-hydroxy-, gamma-lactone
Butyric acid, 4-hydroxy-, gamma-lactone
Tox21_200490
Tox21_300188
2(3H)-Furanone, dihydro-
3B1-008035
F0001-2298
CAS-96-48-0
gamma-Butyrolactone, SAJ first grade, >=99.5%
MCULE-6795890265
NCGC00247920-01
NCGC00247920-02
NCGC00253913-01
NCGC00258044-01
EINECS 202-509-5
4,5-Dihydro-2(3H)-furanone
Dihydro-(3 H)-furan-2-one
2,3,4,5-Tetrahydro-2-furanone
4-Hydroxybutanoic acid lactone, >=98%, FCC, FG
187997-16-6
Butanoic acid, 4-hydroxy-, .gamma.-lactone
Butyric acid, 4-hydroxy-, .gamma.-lactone
33522-EP2311815A1
33522-EP2371797A1
33522-EP2371798A1
33522-EP2371804A1
80109-EP2272517A1
80109-EP2277871A1
80109-EP2292621A1
80109-EP2305250A1
80109-EP2371797A1
80109-EP2371800A1
gamma-Butyrolactone, puriss., >=99.0% (GC)
4-Hydroxybutyric acid gamma-lactone; BLO; endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride
InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H
Microorganism:

Yes

IUPAC nameoxolan-2-one
SMILESC1CC(=O)OC1
InchiInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
FormulaC4H6O2
PubChem ID7302
Molweight86.09
LogP0.15
Atoms12
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone ketone lactones esters heterocyclic compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for butyrolactone is estimated as 5.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.45 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that butyrolactone is expected to be essentially nonvolatile from water surfaces(3). Butyrolactone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not likely to occur(SRC). Butyrolactone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.45 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997) (2) O'Neil MJ, ed; The Merck Index. 14th ed. Whitehouse Station, NJ: Merck and Co., Inc. pp. 259-60 (2006) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of butyrolactone is estimated as 11(SRC), using a log Kow of -0.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butyrolactone is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.5X10-1 mm Hg at 25 deg CYaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp.Diffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.Ryan and Dow JM, 2008
BacteriaXanthomonas Campestris Pv CampestrisDiffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.Ryan and Dow JM, 2008
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
Fungi Fusarium GraminearumBusko et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/an/a
FungiTuber Melanosporumn/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Sp.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaXanthomonas Campestris Pv Campestrisn/an/a
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
Fungi Fusarium Graminearumno


7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

Mass-Spectra

Compound Details

Synonymous names
Auraptene
Aurapten
RSDDHGSKLOSQFK-RVDMUPIBSA-N
7-Geranyloxycoumarin
7-O-geranylumbelliferone
AC1LT3MK
NP344
F79I1ZEL2E
UPCMLD-DP061
UNII-F79I1ZEL2E
W1305
CHEMBL307341
CCRIS 8835
SPECTRUM1505176
HMS2270C13
Bio-0625
NSC711511
SCHEMBL2535029
SCHEMBL2535034
LP001357
STL457597
LP089607
CHEBI:93486
ZINC1658901
4CN-1163
CJ-26819
BDBM50361373
CHEBI:134355
ZINC01658901
CCG-208550
NSC-711511
MEGxp0_000091
Auraptene, >=98% (HPLC)
AKOS015969736
ACon1_000071
UPCMLD-DP061:001
MLS001049098
SMR000386931
Coumarin, 7-(geranyloxy)-
FT-0621413
495-02-3
MCULE-3823939164
NCGC00096070-01
NCGC00096070-03
NCGC00096070-04
NCGC00096070-05
NCGC00168822-01
29527-66-0
MolPort-001-740-270
7-(3,7-Dimethyl-octa-2,6-dienyloxy)-chromen-2-one
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
7-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-2H-chromen-2-one
7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one #
(E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one
7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one,7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-
2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
Microorganism:

Yes

IUPAC name7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
InchiInChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
FormulaC19H22O3
PubChem ID1550607
Molweight298.382
LogP4.65
Atoms44
Bonds45
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes coumarins lactones ethers benzenoids pyrones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Simonea March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber SimoneaPressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS


4-methyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
ALZLTHLQMAFAPA-UHFFFAOYSA-N
3-Methylbutyrolactone
3-Methylbutanolide
AC1Q6HNJ
s-beta-Methyl-gamma-butyrolactone
4-Methyltetrahydrofuran-2-one
AC1L406F
SCHEMBL45956
3-methyl-4-butyrolactone
3-Methyl-4-butanolide
CTK4D2823
HMDB02167
4-methyloxolan-2-one
HE151277
HE027665
HE296852
NSC134770
(R)-SS-METHYL-?-BUTYROLACTONE
KB-76587
4-Methyl-dihydro-furan-2-one
NSC 134770
NSC-134770
4-Methyldihydro-2(3H)-furanone
AKOS026674374
s-.beta.-Methyl-.gamma.-butyrolactone
.beta.-Methyl-.gamma.-butyro-lactone
dihydro-4-methyl-2(3H)-Furanone
4-Methyldihydro-2(3H)-furanone #
1679-49-8
EINECS 264-725-6
2(3H)-Furanone,dihydro-4-methyl-
METHYL, (TETRAHYDRO-5-OXO-3-FURANYL)-
MolPort-037-962-018
2(3H)-Furanone, dihydro-4-methyl-
(S)-(-)-3-Methyl-gamma-butyrolactone
(S)-Dihydro-4-methylfuran-2(3H)-one
(S)-(-)-3-Methyl-.gamma.-butyrolactone
2(3H)-Furanone, dihydro-4-methyl- (8CI)(9CI)
Microorganism:

Yes

IUPAC name4-methyloxolan-2-one
SMILESCC1CC(=O)OC1
InchiInChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
FormulaC5H8O2
PubChem ID98451
Molweight100.117
LogP0.51
Atoms15
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
FungiTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaLoktanella Sp.n/an/a
FungiTuber BorchiiYes