Results for:
chemical Classification: Lactone

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
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


5-butyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Octanolactone
Gamma Octalactone
IPBFYZQJXZJBFQ-UHFFFAOYSA-N
IPBFYZQJXZJBFQ-UHFFFAOYSA-
GAMMA-OCTALACTONE
Octanoic lactone
gamma-octanolide
gamma-Butyl-gamma-butyrolactone
gamma-Octanoic lactone
Nat.Gamma-Octalactone
gamma-Octalactone, analytical standard
4-Hydroxyoctanoic acid lactone
4-Octanolide
.gamma.-Butylbutyrolactone
gamma-N-Butyl-gamma-butyrolactone
4-Hydroxyoctanoic acid gamma-lactone
4-Butyl-gamma-butyrolactone
.gamma.-Octanolactone
AC1L1PD0
.gamma.-Octalactone
Octanoic acid, gamma lactone
Octan-4-olide
gamma-Octalactone (natural)
5-Butyltetrahydro-2-furanone
5-butyltetrahydrofuran-2-one
M522
Octanolide-1,4
ACMC-20mb6u
ACMC-20mb6t
NSC26509
5-butyloxolan-2-one
NSC24270
4-Butyl-4-hydroxybutyric acid lactone
SCHEMBL111822
8-Oxo-5-octanolide
Octano-1,4-lactone
gamma-Octanoic lactone, 97%
DTXSID1047609
Jsp000443
CHEMBL3559967
HE009526
AK135158
LS-2993
4-Butyl-.gamma.-butyrolactone
.gamma. -0ctalactone
WLN: T5OVTJ E4
Octanoic acid, .gamma. lactone
Octanoic acid, .gamma.-lactone
NSC 24270
KB-52235
DSSTox_GSID_47609
NSC-24270
NSC-26509
AN-24680
.gamma.-Butyl-.gamma.-butyrolactone
MFCD00005402
LMFA07040016
DSSTox_CID_27609
DSSTox_RID_82451
4-Hydroxyoctanoic acid, .gamma.-lactone
AI3-35896
ST24044564
ST50823795
AKOS015904720
I14-4532
5-Butyldihydrofuran-2(3H)-one
W-108811
5-Butyldihydro-2(3H)-furanone
Octanoic acid, 4-hydroxy-, lactone
FEMA No. 2796
FT-0618727
BRN 0111677
gamma-Octalactone, natural, >=97%, FG
.gamma.-N-Butyl-.gamma.-butyrolactone
Tox21_302569
5-Butyldihydro-2(3H)-furanone #
5-Butyl-dihydrofuran-2(3H)-one
gamma-Octalactone, >=97%, FCC, FG
104-50-7
5-butyl dihydro-2(3H)-furanone
NCGC00256744-01
CAS-104-50-7
EINECS 203-208-1
2(3H)-Furanone, 5-butyldihydro-
57084-15-8
107797-25-1
107797-24-0
Octanoic acid, 4-hydroxy-, .gamma.-lactone
MolPort-001-786-937
2(3H)-Furanone, dihydro-5-butyl-
5-butyl-3,4,5-trihydrofuran-2-one
Octanoic acid, 4-hydroxy-, lactone (6CI)
5-17-09-00073 (Beilstein Handbook Reference)
InChI=1/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
IUPAC name5-butyloxolan-2-one
SMILESCCCCC1CCC(=O)O1
InchiInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
FormulaC8H14O2
PubChem ID7704
Molweight142.198
LogP1.98
Atoms24
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

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
BacteriaStigmatella Sp.n/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
BacteriaStigmatella Sp.n/an/a


5-pentyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Pelargonolactone
gamma-Nonanolactone
gamma-Pelargolactone
apricolin
Gamma-nonalactone
gamma-Nonylactone
gamma-Nonyllactone
OALYTRUKMRCXNH-UHFFFAOYSA-
OALYTRUKMRCXNH-UHFFFAOYSA-N
Prunolide
Coconut aldehyde
delta-n-Amylbutyrolactone
gamma-N-Amylbutyrolactone
gamma-Nonanolide
gamma-Nonlactone
Nonanoic lactone
4-Pentylbutanolide
Cocos aldehyde
gamma-Nonanoic lactone
gamma-Pentyl-gamma-butyrolactone
gamma-Amyl-gamma-butyrolactone
gamma-Nonalactone, analytical reference material
.gamma.-Amylbutyrolactone
4-Hydroxynonanoic acid lactone
4-Nonalactone
4-Nonanolide
AC1L1PDI
AC1Q6HFY
4-Pentyl-butanolide
.gamma.-Nonanolactone
4-Hydroxynonanoic acid gamma-lactone
.gamma.-Nonalactone
5-pentyltetrahydrofuran-2-one
AC1Q2VS3
.gamma.-n-Amylbutyrolactone
.gamma.-Nonalacton
.gamma.-Nonanolide
Nonan-4-olide
.gamma.-Nonanoic lactone
M521
1,4-Nonalolide
4-Hydroxynonanoic acid, gamma-lactone
Aldehyde C-18
N0285
5-pentyloxolan-2-one
CHEMBL191935
NSC24253
NSC46099
SCHEMBL112484
1,4-Nonyl lactone
4-Amyl-4-hydroxybutyric acid lactone
gamma-Nonanoic lactone, 97%
HSDB 5360
BBL027520
DTXSID0034229
FEMA Number 2781
Jsp000449
LP031984
LS-2984
Nonan-1,4-olide
STL373781
5-pentyl-tetrahydro-furan-2-one
5-Pentyl-.gamma.-lactone
AN-24686
DSSTox_GSID_34229
NSC 24253
NSC 46099
NSC-24253
NSC-46099
5-Pentyl-dihydro-furan-2-one
BB_NC-2032
BDBM50167995
DSSTox_CID_14229
DSSTox_RID_79128
LMFA07040021
MFCD00005403
.gamma.-Amyl-.gamma.-butyrolactone
4-Hydroxynonanoic acid, .gamma.-lactone
5-pentyldihydrofuran-2(3H)-one
AI3-02457
TR-001010
( -)-gamma-Nonalactone
AKOS015904806
J-001202
FEMA No. 2781
FT-0686718
5-Pentyldihydro-2(3H)-furanone #
DIHYDRO-5-PENTYL-2(3H)-FURANONE
Dihydro-5-pentylfuran-2(3H)-one
Nonanoic acid, 4-hydroxy-, gamma-lactone
Tox21_301039
104-61-0
Dihydro-5-pentyl-2(3H)-furanon
gamma-Nonanoic lactone, natural, 98%, FG
gamma-Nonanoic lactone, >=98%, FCC, FG
MCULE-8658118167
NCGC00164129-01
NCGC00164129-02
NCGC00254941-01
(3H)-Dihydro-5-pentyl-2-furanone
CAS-104-61-0
EINECS 203-219-1
57084-16-9
82373-92-0
EC 203-219-1
2(3H)-Furanone, dihydro-5-pentyl-
MolPort-000-856-082
Nonanoic acid, 4-hydroxy-, .gamma.-lactone
(.+/-.)-.gamma.-Nonalactone
InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
IUPAC name5-pentyloxolan-2-one
SMILESCCCCCC1CCC(=O)O1
InchiInChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
FormulaC9H16O2
PubChem ID7710
Molweight156.225
LogP2.42
Atoms27
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dihydro-5-pentyl-2(3H)-furanone is estimated as 1.7X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dihydro-5-pentyl-2(3H)-furanone 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 10 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 7 days(SRC). Dihydro-5-pentyl-2(3H)-furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Solubility
In water, 1201 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Soluble in alcohol, most fixed oils, propylene glycol; 1:1 in 60% alcohol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1480
Literature: #Soluble in five volumes of 50% alcohol; soluble in most fixed oils and mineral oil; practically insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 906
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dihydro-5-pentyl-2(3H)-furanone can be estimated to be 120(SRC). According to a classification scheme(2), this estimated Koc value suggests that dihydro-5-pentyl-2(3H)-furanone is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.18X10-2 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

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
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Sp.n/an/a


5-heptyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Undecanolactone
Gamma-undecalactone
gamma-n-Heptylbutyrolactone
gamma-Undecanolide
gamma-Undekalakton
Persicol
PHXATPHONSXBIL-UHFFFAOYSA-
PHXATPHONSXBIL-UHFFFAOYSA-N
Undecanoic gamma-lactone
gamma-Heptyl-gamma-butyrolactone
gamma-Undecalactone, analytical standard
Peach aldehyde
Peach lactone
xi-gamma-Undecalactone
Undecanoic ?-lactone
.gamma.-Heptylbutyrolactone
4-Hydroxyundecanoic acid lactone
4-Undecanolide
AC1L1PDU
.gamma.-Undecanolactone
.gamma.-Undecalactone
.gamma.-n-Heptylbutyrolactone
.gamma.-Undecalatone
.gamma.-Undecanolide
.gamma.-Undekalakton
5-heptyltetrahydrofuran-2-one
gamma-Undecalactone (natural)
Undecan-4-olide
gamma-Undekalakton [Czech]
Undecanoic .gamma.-lactone
1,4-Hendecanolide
1,4-Undecanolide
M524
Undecanolide-1,4
U0003
5-heptyloxolan-2-one
Aldehyde C-14 peach
CHEMBL195827
NSC46118
NSC76413
SCHEMBL113498
Undecanoic gamma-lactone, 99%
CCRIS 1425
HMS1786B22
AK114195
DTXSID4034287
Jsp000459
LP093758
LS-2358
NSC406421
Undecanoic acid, .gamma.-lactone
CHEBI:89362
WLN: T5OVTJ E7
AN-24690
AX8017400
DSSTox_GSID_34287
KB-52236
NSC-46118
NSC-76413
.gamma.-Heptyl-.gamma.-butyrolactone
4-Hydroxyundecanoic acid, .gamma.-lactone
5-Heptyl-dihydro-furan-2-one
BDBM50168011
DSSTox_CID_14287
DSSTox_RID_79139
LMFA07040030
MFCD00005405
5-Heptyldihydro-2(3H)-furanone
5-Heptyldihydrofuran-2(3H)-one
AI3-00751
KB-246110
NSC 406421
NSC-406421
ST24044763
ST50826887
TR-001023
AKOS001076126
J-001223
BRN 0081943
FEMA No. 3091
FT-0695781
Undecanoic acid, 4-hydroxy-, gamma-lactone
5-Heptyl-dihydrofuran-2(3H)-one
5-Heptyldihydro-2(3H)-furanone #
Dihydro-5-heptyl-2(3H)-furanone
gamma-Undecalactone, >=98%, FCC, FG
Tox21_300063
104-67-6
MCULE-9018416843
NCGC00164025-01
NCGC00164025-02
NCGC00254148-01
2(3H)-Furanone, 5-heptyldihydro-
CAS-104-67-6
EINECS 203-225-4
57084-17-0
Undecanoic acid, 4-hydroxy-, .gamma.-lactone
5-heptyl-3,4,5-trihydrofuran-2-one
MolPort-001-783-108
gamma-Undecalactone, natural (US), >=98%, FG
InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
IUPAC name5-heptyloxolan-2-one
SMILESCCCCCCCC1CCC(=O)O1
InchiInChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
FormulaC11H20O2
PubChem ID7714
Molweight184.279
LogP3.31
Atoms33
Bonds33
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocylic compounds heterocyclic compounds

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
BacteriaStigmatella Sp.n/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
BacteriaStigmatella Sp.n/an/a


5-propyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Propiobutyrolactone
gamma-Enanthonolactone
gamma-Oenantholacton
gamma-Heptanolactone
VLSVVMPLPMNWBH-UHFFFAOYSA-N
gamma-Heptalactone
Gamma Heptalactone
gamma-Propyl-gamma-butyrolactone
.gamma.-Propiobutyrolactone
AC1Q6HFR
4-Hydroxyheptanoic acid lactone
4-Heptanolide
.gamma.-Heptanolactone
AC1L1PG6
gamma-Heptalactone (natural)
.gamma.-Heptanolide
.gamma.-Heptalactone
5-propyltetrahydrofuran-2-one
Heptan-4-olide
M519
4-Hydroxyheptanoic acid, gamma-lactone
5-PROPYLDIHYDRO-2-FURANONE
5-propyldihydrofuran-2-one
Heptanolide-4,1
1,4-Heptanolide
CTK4F8061
4-Propyl-4-hydroxybutanoic acid lactone
5-propyloxolan-2-one
5-propyl-2-oxolanone
NSC46352
NSC46097
SCHEMBL891524
CHEMBL365316
HE009472
HE292373
LS-2780
DTXSID5047611
Jsp000498
CHEBI:89744
A801165
AN-24706
NSC-46352
NSC 46097
DA-19666
DSSTox_GSID_47611
NSC-46097
DSSTox_RID_82453
LMFA07040012
BDBM50168009
DSSTox_CID_27611
MFCD00036498
.gamma.-Propyl-.gamma.-butyrolactone
5-Propyl-dihydro-furan-2-one
4-Hydroxyheptanoic acid, .gamma.-lactone
TR-001093
5-propyldihydrofuran-2(3h)-one
KB-192088
DB-040600
I14-6125
W-108792
AKOS015905123
FEMA No. 2539
BRN 0109569
Tox21_302676
Dihydro-5-propylfuran-2(3H)-one
Dihydro-5-propyl-2(3H)-furanone
5-Propyldihydro-2(3H)-furanone #
gamma-Heptalactone, >=98%, FCC, FG
105-21-5
(+/-)-gamma-Propyl-gamma-butyrolactone
NCGC00256923-01
1336-71-6
CAS-105-21-5
2(3H)-Furanone,5-propyl-
EINECS 203-279-9
57129-71-2
26524-73-2
(+/-)-4-Heptanolide
Heptanoic acid, 4-hydroxy-, .gamma.-lactone
2(3H)-Furanone, dihydro-5-propyl-
MolPort-001-781-618
(+/-)-Dihydro-5-propyl-2(3H)-furanone
IUPAC name5-propyloxolan-2-one
SMILESCCCC1CCC(=O)O1
InchiInChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
FormulaC7H12O2
PubChem ID7742
Molweight128.171
LogP1.53
Atoms21
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

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
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Sp.n/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
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Sp.n/an/a


5-methyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
Valerolactone
Gamma Valerolactone
gamma-Pentanolactone
gamma-Valerolactone
gamma-Valeryllactone
GAEKPEKOJKCEMS-UHFFFAOYSA-N
gamma-Pentalactone
gamma-Valerolakton
4-methylbutyrolactone
y-Valerolactone
gamma-Methyl-gamma-butyrolactone
gamma-Valerolactone, analytical standard
4-Pentalactone
4-Valerolactone
4-Hydroxypentanoic acid lactone
4-Pentanolide
AC1L1PUX
AC1Q2QQE
4-Hydroxyvaleric acid lactone
4-Methyl-gamma-butyrolactone
.gamma.-Pentanolactone
.gamma.-Valerolactone
.gamma.-Pentalactone
.gamma.-Valerolakton
5-Methyltetrahydro-2-furanone
5-methyltetrahydrofuran-2-one
gamma-Valerolakton [Czech]
KSC492E8F
Pentanolide-1,4
SCHEMBL37255
4-Methyl-4-hydroxybutanoic acid lactone
CTK3J2282
(R)-?-VALEROLACTONE
5-methyloxolan-2-one
ACMC-2098zm
CHEMBL195593
NE10397
NSC33700
4-Methyl-.gamma.-butyrolactone
CCRIS 3597
Dihydro-5-methyl-2-furanone
AK117314
BBL011475
DTXSID0047618
HE000158
HE094925
HE149712
HE149713
HE294175
Jsp000712
LS-3151
STL146587
CHEBI:48569
Pentanoic acid, .gamma.-lactone
AN-22505
ANW-15920
DSSTox_GSID_47618
NSC 33700
NSC-33700
SC-19108
.gamma.-Methyl-.gamma.-butyrolactone
4-Hydroxypentanoic acid, .gamma.-lactone
5-methyl-dihydro-furan-2-one
BB_SC-7058
BDBM50168010
DSSTox_CID_27618
DSSTox_RID_82456
LMFA07040008
MFCD00005400
5-Methyldihydro-2(3H)-furanone
5-methyldihydrofuran-2(3H)-one
AI3-04327
DB-003681
KB-246622
RTR-001925
ST24029532
TR-001925
AKOS005206963
I14-1390
J-002085
BRN 0080420
FEMA No. 3103
FT-0605160
FT-0626628
gamma-Valerolactone, ReagentPlus(R), 99%
gamma-Valerolactone, natural, 95%, FG
Pentanoic acid, 4-hydroxy-, gamma-lactone
(R)-I(3)-Valerolactone
5-Methyldihydro-2(3H)-furanone #
AZ0001-0023
DIHYDRO-5-METHYL-2(3H)-FURANONE
Dihydro-5-methylfuran-2(3H)-one
EN300-61318
gamma-Valerolactone, >=99%, FCC, FG
Tox21_302624
Valeric acid, 4-hydroxy-, gamma-lactone
108-29-2
F0001-0163
Z1251171283
gamma-Valerolactone, Vetec(TM) reagent grade, 98%
MCULE-3014789527
NCGC00256671-01
CAS-108-29-2
dihydro-5-methyl-2(3H)-furanone,
EINECS 203-569-5
57129-69-8
2-FURANYL, TETRAHYDRO-2-METHYL-5-OXO-
Pentanoic acid, 4-hydroxy-, .gamma.-lactone
2(3H)-Furanone, dihydro-5-methyl-
MolPort-003-939-842
Valeric acid, 4-hydroxy-, .gamma.-lactone
2(3H)-Furanone, dihydr-5-methyl-
(.+/-.)-4-Methylbutyrolactone
148666-EP2289879A1
148666-EP2374895A1
4,5-Dihydro-5-methyl-2(3H)-furanone
(.+/-.)-.gamma.-Valerolactone
5-17-09-00024 (Beilstein Handbook Reference)
2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-
IUPAC name5-methyloxolan-2-one
SMILESCC1CCC(=O)O1
InchiInChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
FormulaC5H8O2
PubChem ID7921
Molweight100.117
LogP0.57
Atoms15
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Ketone lactones esters heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStigmatella Sp.n/an/a


2-methyl-2H-furan-5-one

Mass-Spectra

Compound Details

Synonymous names
beta-angelicalactone
beta-Angelicalacton
BGLUXFNVVSVEET-UHFFFAOYSA-N
gamma-Methyl-alpha,beta-crotonolactone
beta-Angelica lactone
delta1-Angelica lactone
alpha,beta-Angelica lactone
AC1L1XLY
ACMC-20lwfv
NSC655
.beta.-Angelica lactone
delta(sup1)-Angelica lactone
CHEMBL47969
Y1591
CTK2H9876
Delta(1)-angelica lactone
.DELTA.1-Angelica lactone
NSC11835
NSC-655
NSC 655
5-Methylfuran-2-one
CCRIS 2925
HE357210
2-Penten-4-olide
delta(sup 1)-Angelica lactone
HE027575
HE151996
4-Hydroxypent-2-enoic acid lactone
4-Hydroxy-2-pentenoic acid gamma-lactone
CHEBI:36436
LS-70504
NSC-11835
KB-269956
LS-190731
.delta.(sup1)-Angelica lactone
AI3-61052
WLN: T5OV EHJ E1
4-Hydroxy-2-pentenoic acid, gamma-lactone
.alpha.,.beta.-Angelica lactone
AKOS006278741
BRN 0108058
2-Pentenoic acid, .gamma.-lactone
4-Methyl-2-buten-4-olide
2-methyl-2H-furan-5-one
5-Methyl-2(5H)-furanone
5-Methyl-5H-furan-2-one
5-Methylfuran-2(5H)-one
591-11-7
4-Hydroxy-2-pentenoic acid .gamma.-lactone
5-methyl-2,5-dihydrofuran-2-one
2(5H)-Furanone, 5-methyl
.gamma.-Methyl-.alpha.,.beta.-crotonolactone
EINECS 209-700-2
EINECS 215-586-5
5-methylfuran-2(5H)-one, dimer
70428-45-4
92694-51-4
17300-24-2
2-Pentenoic acid, 4-hydroxy-, gamma-lactone
2-Pentenoic acid, -.gamma.-lactone, dimer
2(5H)-FURANONE, 5-METHYL-
MolPort-006-111-971
.gamma.-Methyl-.DELTA..alpha.,.beta.-butenolide
2-Pentenoic acid, 4-hydroxy-, .gamma.-lactone
.gamma.-Methyl-.delta.,.alpha.,.beta.-butenolide
5-17-09-00121 (Beilstein Handbook Reference)
(+-)-5-Methyl-2(5H)-furanone
2-Pentanoic acid, 4-hydroxy-, gamma-lactone (6CI,7CI)
.beta.(.alpha.,.beta. or .delta.1)-Angelica lactone
2(5H)-Furanone, 5-methyl-, (+-)-
IUPAC name2-methyl-2H-furan-5-one
SMILESCC1C=CC(=O)O1
InchiInChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
FormulaC5H6O2
PubChem ID11558
Molweight98.101
LogP0.95
Atoms13
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones heterocyclic compounds esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


5-ethyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Ethylbutyrolactone
gamma-Hexanolactone
gamma-Hexalactone
Tonkalide
Toukalide
JBFHTYHTHYHCDJ-UHFFFAOYSA-N
gamma-Caprolactone
Gamma Hexalactone
gamma-Ethyl-gamma-butyrolactone
4-Hydroxyhexanoate
4-Ethylbutanolide
gamma-Hexalactone, analytical standard
6-Caprolactone
gamma-Ethyl-n-butyrolactone
AC1Q2UAO
4-Hexanolide
.gamma.-Ethylbutyrolactone
4-Hydroxyhexanoic acid lactone
4-hydroxy-Hexanoate
.gamma.-Hexanolactone
AC1L20AJ
.gamma.-Caprolactone
.gamma.-Hexalactone
Hexan-4-olide
4-hydroxy-Hexanoic acid lactone
5-Ethyltetrahydro-2-furanone
5-ethyltetrahydrofuran-2-one
hexa-4-olide
R375
Hexanolide-1,4
OR6050
SCHEMBL36360
4-hydroxy-Hexanoic acid gamma-lactone
4-ethylbutanolide (gamma-hexalactone)
gamma-Caprolactone, 98%
HMDB03843
.gamma.-Ethyl-n-butyrolactone
CHEMBL192458
5-ethyloxolan-2-one
NSC24255
4-Ethyl-4-hydroxybutanoic acid lactone
4-Ethyl-4-butanolide
2 -FURANONE,5-ETHYLDIHYDRO
HE009156
HE380588
NSC134769
LS-2794
DTXSID8041298
AK129859
Hexanoic acid, .gamma.-lactone
CHEBI:85235
DSSTox_GSID_41298
TL8004876
NSC 24255
KB-52227
NSC-24255
AN-22087
.gamma.-Ethyl-.gamma.-butyrolactone
MFCD00005401
5-Ethyl-dihydro-furan-2-one
BDBM50167994
DSSTox_CID_21298
LMFA07040010
DSSTox_RID_79681
TR-014527
NSC-134769
NSC 134769
AI3-36655
DB-055288
5-ETHYLDIHYDRO-2(3H)-FURANONE
5-Ethyldihydrofuran-2(3H)-one
AKOS015908187
Hexanoic acid, 4-hydroxy-, lactone
FEMA No. 2556
BRN 0107260
I14-24444
Hexanoic acid, 4-hydroxy-, gamma-lactone
Tox21_300875
5-Ethyldihydro-2(3H)-furanone #
gamma-Hexalactone, natural, 97%, FG
Dihydro-5-ethyl-2(3H)-furanone
695-06-7
gamma-Hexalactone, >=98%, FCC, FG
NCGC00254779-01
NCGC00248198-01
gamma-Caprolactone, Vetec(TM) reagent grade, 98%
CAS-695-06-7
EINECS 211-778-8
57129-70-1
2(3H)-Furanone, 5-ethyldihydro-
MolPort-001-769-670
Hexanoic acid, 4-hydroxy-, .gamma.-lactone
5-17-09-00040 (Beilstein Handbook Reference)
IUPAC name5-ethyloxolan-2-one
SMILESCCC1CCC(=O)O1
InchiInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
FormulaC6H10O2
PubChem ID12756
Molweight114.144
LogP1.09
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPenicillium Crustosumn/aFischer et al., 1999
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
Fungi Trichoderman Sp.Wickel et al. 2013
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPenicillium Crustosumyeast extract sucrose agarn/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
Fungi Trichoderman Sp.no
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Sp.n/an/a


5-hexyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
Decanolactone
gamma-Decanolactone
Gamma Decalactone
gamma-Decalactone
IFYYFLINQYPWGJ-UHFFFAOYSA-N
a-decanolactone
Hydroxydecanoic acid gamma-lactone
gamma-Hexyl-gamma-butyrolactone
gamma-Decalactone, analytical reference material
gamma-lactone decanoic acid
gamma-N-Decalactone
.gamma.-Hexylbutyrolactone
2-Decalactone
4-Decalactone
4-Decanolide
4-Hydroxydecanoic acid lactone
AC1Q2VUY
Hydroxydecanoic acid, gamma-lactone
gamma-N-Hexyl-gamma-butyrolactone
.gamma.-Decanolactone
4-Hexyl-gamma-butyrolactone
4-Hydroxydecanoic acid gamma-lactone
Nat. Gamma Decalactone
.gamma.-Decalactone
AC1L20EY
Decanoic acid, gamma-lactone
.gamma.-Decanolide
5-Hexyltetrahydro-2-furanone
5-hexyltetrahydrofuran-2-one
Decan-4-olide
gamma-Decalactone (natural)
Hydroxydecanoic acid .gamma.-lactone
M517
4-Hydroxydecanoic acid, gamma-lactone
ACMC-20mb6v
Decanolide-1,4
gamma-Decanolactone, 98%
OR6013
.gamma.-N-Decalactone
CTK4B8711
4-Hexyl-4-butanolide
4-Hexyl-4-hydroxybutanoic acid lactone
5-hexyloxolan-2-one
CHEMBL365740
NSC24248
NSC26510
SCHEMBL113200
4-Hexyl-.gamma.-butyrolactone
AK114573
BBL027521
DTXSID4022109
LP033706
LS-2653
STL372952
4-n-hexyl-4-butanolide
Decanoic acid, .gamma.-lactone
DSSTox_CID_2109
WLN: T5OVTJ E6
ACM2825925
AN-22104
AX8000317
CC-28924
DSSTox_GSID_22109
KB-52228
NSC 24248
NSC 26510
NSC-24248
NSC-26510
SC-22082
TL8006612
TRA0068791
.gamma.-Hexyl-.gamma.-butyrolactone
5-Hexyl-dihydro-furan-2-one
BB_NC-2031
BDBM50167997
C-05294
DSSTox_RID_76490
MFCD00005404
ZX-AT010568
4-Hydroxydecanoic acid, .gamma.-lactone
AI3-36026
ST24033021
ST50330653
TR-023358
5-Hexyldihydro-2(3H)-furanone
5-hexyldihydrofuran-2(3H)-one
AKOS015905260
BB_NC-02031
I14-2147
J-017021
W-104547
BRN 0117547
FEMA No. 2360
FT-0626610
.gamma.-N-Hexyl-.gamma.-butyrolactone
Decanoic acid, 4-hydroxy-, gamma-lactone
Tox21_301095
xi-5-Hexyldihydro-2(3H)-furanone
706-14-9
gamma-Decalactone, >=98%, FCC, FG
1336-42-1
2825-92-5
MCULE-8274362783
NCGC00248286-01
NCGC00254995-01
CAS-706-14-9
EINECS 211-892-8
2(3H)-Furanone, 5-hexyldihydro-
Decanoic acid, 4-hydroxy-, .gamma.-lactone
MolPort-001-769-697
5-hexyl-3,4,5-trihydrofuran-2-one
(.+/-.)-.gamma.-Decanolactone
5-17-09-00093 (Beilstein Handbook Reference)
2(3H)-Furanone, 5-hexyldihydro-, (S)-
IUPAC name5-hexyloxolan-2-one
SMILESCCCCCCC1CCC(=O)O1
InchiInChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
FormulaC10H18O2
PubChem ID12813
Molweight170.252
LogP2.87
Atoms30
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

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
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Sp.n/an/a


6-heptyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
delta-Dodecanolactone
Delta Dodecalactone
DELTA-DODECALACTONE
QRPLZGZHJABGRS-UHFFFAOYSA-
delta-Laurolactone
QRPLZGZHJABGRS-UHFFFAOYSA-N
delta-Heptyl-delta-valerolactone
delta-Dodecalactone, analytical standard
n-Heptyl-delta-valerolactone
5-Dodecalactone
5-Dodecanolide
5-Hydroxydodecanoic acid lactone
Nat. Delta Dodecalactone
.delta.-Dodecalactone
delta-Dodecalactone (natural)
Dodecan-5-olide
6-heptyltetrahydropyran-2-one
AC1L20HD
ACMC-20mbxj
P267
Dodecanolide-1,5
dl-6-heptyltetrahydropyran-2-one
OR6022
n-Heptyl-.delta.-valerolactone
HSDB 292
6-Heptyl-tetrahydropyran-2-one
SCHEMBL114922
6-heptyloxan-2-one
6-heptyl-2-oxanone
ST096793
STL373783
LP002950
LS-2705
SBB071496
DTXSID9047596
BBL027600
AK307595
6-heptyl-tetrahydro-pyran-2-one
5-Dodecanolide, 99%
A837171
TL8006626
AN-22108
SC-74597
delta-Dodecalactone;6-Heptyltetrahydro-2H-pyran-2-one
delta-Dodecalactone, >=97%, FG
LMFA07040040
MFCD00006651
ZX-AT004880
.delta.-Heptyl-.delta.-valerolactone
5-Hydroxydodecanoic acid, .delta.-lactone
6-Heptyltetrahydro-2H-pyran-2-one
BB_NC-2030
C-30749
TR-023491
AI3-36030
AKOS015915485
W-109596
BB_NC-02030
I14-5958
FEMA No. 2401
FT-0624502
Dodecanoic acid, 5-hydroxy-, delta-lactone
2H-Pyran-2-one,6-heptyltetrahydro-
713-95-1
3051-22-7
2H-Pyran-2-one, tetrahydro-6-heptyl
2H-Pyran-2-one, 6-heptyltetrahydro-
MCULE-4837230476
EINECS 211-932-4
delta-Dodecalactone, mixture of isomers, natural, >=98%, FG
EC 211-932-4
Dodecanoic acid, 5-hydroxy-, .delta.-lactone
MolPort-002-638-710
6-heptyl-3H-4,5,6-trihydropyran-2-one
2H-Pyran-2-one, 6-heptyltetrahydro-, (S)-
InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
IUPAC name6-heptyloxan-2-one
SMILESCCCCCCCC1CCCC(=O)O1
InchiInChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
FormulaC12H22O2
PubChem ID12844
Molweight198.306
LogP3.76
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone

mVOC Specific Details

Solubility
INSOL IN WATER
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
Literature: #SOL IN ETHANOL; POORLY SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
MS-Links

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


5-octyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
GAMMA-DODECANOLACTONE
gamma-Dodecalactone
gamma-Laurolactone
WGPCZPLRVAWXPW-UHFFFAOYSA-N
gamma-Dodecalactone, analytical standard
gamma-Octyl-gamma-butyrolactone
4-Dodecanolide
4-Hydroxydodecanoic acid lactone
.gamma.-Dodecanolactone
.gamma. Dodecalactone
.gamma.-Dodecalactone
Dodecan-4-olide
gamma-Dodecalactone (natural)
.gamma.-Dodecanolide
AC1L28QX
5-octyltetrahydrofuran-2-one
gamma-n-Octyl-gamma-N-butyrolactone
Dodecanolide-1,4
M518
OR6023
CTK6D8244
5-octyl-2-oxolanone
4-Hydroxy-4-octylbutanoic acid lactone
5-octyloxolan-2-one
CHEMBL195215
SCHEMBL111041
NSC26511
LS-2707
Dodecanoic acid, .gamma.-lactone
DTXSID7047190
LP005558
A816525
WLN: T5OVTJ E8
NSC-26511
AN-19890
NSC 26511
TRA0044284
5-octyl-tetrahydro-furan-2-one
DSSTox_GSID_47190
MFCD00036499
LMFA07040042
DSSTox_RID_82186
DSSTox_CID_27190
ZX-AT010638
4-Hydroxydodecanoic acid, .gamma.-lactone
5-Octyl-dihydro-furan-2-one
.gamma.-Octyl-.gamma.-butyrolactone
BDBM50168008
DB-055522
DB-003478
ST51056531
AI3-35986
AKOS015904896
S14-0776
5-Octyldihydro-2(3H)-furanone
5-OCTYLDIHYDROFURAN-2(3H)-ONE
gamma-Dodecalactone, natural, >=98%, FG
FEMA No. 2400
(+/-)-delta-dodecanolactone
Dodecanoic acid, 4-hydroxy-, gamma-lactone
gamma-Dodecalactone, >=97%, FCC, FG
Tox21_302617
5-Octyldihydro-2(3H)-furanone #
5-Octyl-dihydrofuran-2(3H)-one
Dihydro-5-octyl-2(3H)-furanone
Dihydro-5-octylfuran-2(3H)-one
.gamma.-n-Octyl-.gamma.-N-butyrolactone
NCGC00256822-01
(+/-)-gamma-Octyl-gamma-butyrolactone
2305-05-7
EINECS 218-971-6
57084-18-1
(+/-)-4-Dodecanolide
CAS-2305-05-7
Dodecanoic acid, 4-hydroxy-, .gamma.-lactone
MolPort-003-925-080
2(3H)-Furanone, dihydro-5-octyl-
2-(3H)-Furanone, 5-octyldihydro-
(.+/-.)-4-n-Octylbutyrolactone
(+/-)-Dihydro-5-octyl-2(3H)-furanone
IUPAC name5-octyloxolan-2-one
SMILESCCCCCCCCC1CCC(=O)O1
InchiInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
FormulaC12H22O2
PubChem ID16821
Molweight198.306
LogP3.76
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

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
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Sp.n/an/a
BacteriaStreptomyces Spp.n/an/a


6-butyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
delta-Pelargonolactone
delta-Nonanolactone
PXRBWNLUQYZAAX-UHFFFAOYSA-N
DELTA-NONALACTONE
delta-Hydroxypelargonic acid lactone
Hydroxynonanoic acid delta-lactone
delta-Butyl-delta-valerolactone
.delta.-Butylvalerolactone
5-Nonanolide
5-Nonalactone
5-Hydroxynonanoic acid delta-lactone
5-Butyl-delta-valerolactone
.delta.-Nonalactone
.delta. Nonalactone
AC1L2CM6
5-Hydroxynonanoic acid, lactone
PubChem9714
delta-Nonalactone;5-n-Butyl-delta-valerolactone
P266
ACMC-20m2tl
ACMC-20mc0c
N0424
5-Butyl-5-hydroxypentanoic acid lactone
SCHEMBL918003
6-butyloxan-2-one
AK307194
Nonan-1,5-olide
HE335583
HE009224
ACM3301948
KB-49651
FCH1116249
6-Butyltetrahydro-2H-pyran-2-one
MFCD00036500
ST50824578
AI3-36027
I14-7189
J-018980
AKOS015914962
FEMA No. 3356
FT-0620493
6-Butyltetrahydro-2H-pyran-2-one #
2H-Pyran-2-one,6-butyltetrahydro-
delta-Nonalactone, natural, 98%, FG
Nonanoic acid, 5-hydroxy-, delta-lactone
delta-Nonalactone, 98%, FCC, FG
MCULE-5855223168
3301-94-8
2H-Pyran-2-one, tetrahydro-6-butyl
2H-Pyran-2-one, 6-butyltetrahydro-
EINECS 221-974-5
99461-67-3
109061-96-3
105140-26-9
MolPort-003-960-102
6-butyl-3H-4,5,6-trihydropyran-2-one
IUPAC name6-butyloxan-2-one
SMILESCCCCC1CCCC(=O)O1
InchiInChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
FormulaC9H16O2
PubChem ID18698
Molweight156.225
LogP2.42
Atoms27
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones heterocylic compounds esters terpenes heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
Fungi Trichoderma AtrovirideLarsen 1998
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
Fungi Trichoderma Atrovirideno
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaDinoroseobacter Sp.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-
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


4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

Mass-Spectra

Compound Details

Synonymous names
DIHYDROACTINIDIOLIDE
dihydroactinidolide
Dihydroactinolide
IMKHDCBNRDRUEB-UHFFFAOYSA-N
( inverted exclamation markA)dihydro actinidiolide
AC1L1CQ7
M304
KSC914Q9N
CTK8B4896
CHEMBL2271411
NSC357087
HE038848
FS-3501
SCHEMBL3503557
M-8127
ANW-46618
AK-62444
AN-19303
FCH1121135
KB-00944
MFCD06409997
2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone
KB-239354
NSC-357087
RT-003609
ST24032676
AKOS015902000
4CH-007201
4CH-006512
I14-13316
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
3B1-002147
EINECS 239-390-4
15356-74-8
17092-92-1
19432-05-4
MolPort-006-121-402
4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one
4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzo[b]furan-2(4H)-one
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
IUPAC name4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
SMILESCC1(CCCC2(C1=CC(=O)O2)C)C
InchiInChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
FormulaC11H16O2
PubChem ID27209
Molweight180.247
LogP2.57
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Lactone Alkenes esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


5-decyloxolan-2-one

Compound Details

Synonymous names
gamma-tetradecalactone
AGNLJNRENXLLQO-UHFFFAOYSA-N
gamma-decyl-gamma-butyrolactone
4-tetradecanolide
4-Hydroxymyristic acid lactone
.gamma.-tetradecalactone
gamma-n-decyl-gamma-butyrolactone
AC1L3Z5I
5-decyltetrahydrofuran-2-one
NSC33737
5-decyloxolan-2-one
SCHEMBL2078262
LP037336
AN-18923
NSC-33737
NSC 33737
LMFA07040051
5-Decyl-dihydrofuran-2(3H)-one
2721-23-5
2(3H)-Furanone, 5-decyldihydro-
IUPAC name5-decyloxolan-2-one
SMILESCCCCCCCCCCC1CCC(=O)O1
InchiInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h13H,2-12H2,1H3
FormulaC14H26O2
PubChem ID97746
Molweight226.36
LogP4.65
Atoms42
Bonds42
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStigmatella Sp.n/an/a


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)
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


4,5-dimethyloxolan-2-one

Compound Details

Synonymous names
PXIPZIPSDBXFQR-UHFFFAOYSA-N
AC1L6NEQ
AC1Q6HC2
3-Methyl-4-pentanolide
4-Hydroxy-3-methylpentanoic acid lactone
CTK5D1041
SCHEMBL364043
NSC66595
4,5-Dimethyltetrahydrofuran-2-one
A10720
HE149022
DTXSID20290108
NSC-66595
4,5-dimethyloxolan-2-one
4,5-dimethyldihydrofuran-2(3h)-one
4,5-Dimethyldihydro-2(3H)-furanone
6971-63-7
Dihydro-4,5-dimethyl-2(3H)-furanone
(S)-methyl 2-(tert-butoxycarbonyl)-2-(dimethoxyphosphoryl)acetate
2(3H)-Furanone, dihydro-4,5-dimethyl-
4,5-Dimethyl-4,5-dihydro-2(3H)-furanone
IUPAC name4,5-dimethyloxolan-2-one
SMILESCC1CC(=O)OC1C
InchiInChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3
FormulaC6H10O2
PubChem ID248934
Molweight114.144
LogP0.93
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters

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


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

Compound Details

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


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

Compound Details

Synonymous names
CHEMBL478807
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


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

Compound Details

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