Results for:
chemical Classification: Lactone

Oxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Butyrolactone
96-48-0
dihydrofuran-2(3H)-one
BUTYROLACTONE
4-Butyrolactone
4-Butanolide
1,4-Butanolide
2-Oxolanone
4-Hydroxybutyric acid lactone
4-Deoxytetronic acid
Butyrylactone
2(3H)-Furanone, dihydro-
Dihydro-2(3H)-furanone
1,2-Butanolide
Butyryl lactone
Butyric acid lactone
oxolan-2-one
Tetrahydro-2-furanone
BLON
gamma-BL
4-Hydroxybutanoic acid lactone
Dihydro-2-furanone
g-Butyrolactone
1,4-Lactone
Agrisynth BLO
gamma-Hydroxybutyric acid lactone
gamma-Hydroxybutyrolactone
2-Oxotetrahydrofuran
.gamma.-Butyrolactone
NCI-C55878
gamma-6480
gama-Butyrolactone
GBL
FEMA No. 3291
1-Oxacyclopentan-2-one
gamma Butyrolactone
NSC 4592
gamma-Butanolactone
gamma-Butyrolactone-13C4
gamma-Hydroxybutyric Acid cyclic ester
1,4-Butyrolactone
.gamma.-BL
Butyric acid, 4-hydroxy-, gamma-lactone
.gamma.-6480
BLO
.gamma.-Hydroxybutyrolactone
OL659KIY4X
DTXSID6020224
CHEBI:42639
.gamma.-Hydroxybutyric acid lactone
NSC-4592
4-Hydroxybutyric acid, .gamma.-lactone
.gamma.-Hydroxybutyric acid cyclic ester
4-Hydroxybutanoic acid, .gamma.-lactone
Gammabutyrolactone (GBL)
DTXCID80224
No Go
Caswell No. 132B
gamma-Butalactone
gamma-butyrolacton
Paint Clean G
CAS-96-48-0
31213-03-3
gamma-Butyryllactone
gamma-Butyrolactone (natural)
CCRIS 2924
gamma-Butyrolactone; GBL; Gammabutyrolactone
tetrahydrofuran-2-one
HSDB 4290
EINECS 202-509-5
UNII-OL659KIY4X
EPA Pesticide Chemical Code 122303
Revivarant
Remforce
4 Hydroxybutyric Acid Lactone
Butanoic acid, 4-hydroxy-, gamma-lactone
g-Butalactone
4-butanolactone
AI3-28121
g-Butyryllactone
GH Revitalizer
Blue Nitro
gammabutyrolactone
tetrahydrofuranone
4-Deoxytetronate
C-1070
Dihyro-2-furanone
dihydrofuran-2-one
gamma-butyro-lactone
NIH 10540
dihydro-furan-2-one
.alpha.-Butyrolactone
.gamma.-Butanolactone
2(3H)-dihydrofuranone
1-Oxacyclopentane-2-one
WLN: T5OVTJ
BUTYROLACTONE [MI]
EC 202-509-5
BUTYROLACTONE [INCI]
BUTYROLACTONE [VANDF]
Dynasolve 699 (Salt/Mix)
g-Hydroxybutyric acid lactone
CHEMBL95681
Dihydro-(3 H)-furan-2-one
Butyric acid, .gamma.-lactone
BUTYROLACTONE [WHO-DD]
GTPL5462
Butanoic acid, .gamma.-lactone
4,5-Dihydro-2(3H)-furanone
GAMMA-BUTYROLACTONE [FCC]
NSC4592
2,3,4,5-Tetrahydro-2-furanone
4-hydroxy-Butanoic acid g-lactone
GAMMA-BUTYROLACTONE [HSDB]
GAMMA-BUTYROLACTONE [IARC]
Gamma-Lactone 4-hydroxybutyric acid
.gamma.-Hydrooxybutyric acid lactone
gamma-Butyrolactone, >=99% (GC)
Tox21_200490
Tox21_300188
Gamma-Lactone 4-hydroxy-butyric acid
Gamma-Lactone 4-hydroxybutanoic acid
LBG 11785
LMFA07040004
MFCD00005386
STL281877
.GAMMA.-BUTYROLACTONE [FHFI]
AKOS000119924
Gamma-Lactone 4-hydroxy-butanoic acid
DB04699
MCULE-6795890265
gamma-Butyrolactone, analytical standard
NCGC00247920-01
NCGC00247920-02
NCGC00253913-01
NCGC00258044-01
Butyric acid, 4-hydroxy-, .gamma.-lactone
A4867
B0767
Butanoic acid, 4-hydroxy-, .gamma.-lactone
NS00003450
gamma-Butyrolactone, ReagentPlus(R), >=99%
C01770
gamma-Butyrolactone, puriss., >=99.0% (GC)
Q79739
gamma-Butyrolactone, SAJ first grade, >=99.5%
4-Hydroxybutanoic acid lactone, >=98%, FCC, FG
GBL (gamma-Butyrolactone), 10mg/ml in Acetonitrile
GBL (gamma-Butyrolactone), 1mg/ml in Acetonitrile
GBL (gamma-Butyrolactone), 50mg/ml in Acetonitrile
J-513020
J-520327
Q-200482
gamma-Butyrolactone (GBL) 1.0 mg/ml in Acetonitrile
GBL (gamma-Butyrolactone), 100mg/ml in Acetonitrile
InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H
BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE
BL
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
LogP-0.6
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID42639
Supernatural-IDSN0448137

mVOC Specific Details

Boiling Point
DegreeReference
204 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDinoroseobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaXanthomonas CampestrisDiffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.NARyan and Dow 2008
ProkaryotaStreptomyces Sp.Diffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.NARyan and Dow 2008
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaFusarium GraminearumNABusko et al. 2014
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
Lentinula EdodesGeng et al. 2024
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaXanthomonas Campestrisn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaFusarium Graminearumno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Aspergillus Flavusinoculated potato samplesGC-MSno


5-butyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
GAMMA-OCTALACTONE
104-50-7
gamma-Octanoic lactone
5-Butyldihydrofuran-2(3H)-one
5-butyloxolan-2-one
4-Octanolide
2(3H)-Furanone, 5-butyldihydro-
4-Hydroxyoctanoic acid lactone
Octan-4-olide
Octanolide-1,4
8-Oxo-5-octanolide
gamma-Octanolactone
5-Butyldihydro-2(3H)-furanone
5-Butyltetrahydro-2-furanone
4-Butyl-gamma-butyrolactone
Octanoic acid, gamma lactone
gamma-Butyl-gamma-butyrolactone
gamma-N-Butyl-gamma-butyrolactone
.gamma.-Octalactone
Octano-1,4-lactone
2(3H)-Furanone, dihydro-5-butyl-
FEMA No. 2796
gamma-octanolide
NSC 24270
4-Butyl-4-hydroxybutyric acid lactone
.gamma.-Octanolactone
Octanoic acid, 4-hydroxy-, lactone
.gamma.-Butyl-.gamma.-butyrolactone
.gamma.-Butylbutyrolactone
UHD6M52X0K
4-Butyl-.gamma.-butyrolactone
Octanoic acid, .gamma. lactone
DTXSID1047609
5-Butyl-dihydrofuran-2(3H)-one
MFCD00005402
NSC-24270
NSC-26509
.gamma.-N-Butyl-.gamma.-butyrolactone
4-Hydroxyoctanoic acid, .gamma.-lactone
Octanoic acid, 4-hydroxy-, .gamma.-lactone
WLN: T5OVTJ E4
Octanoic acid, .gamma.-lactone
(r)-4-octanolide
Gamma Octalactone
gamma-Octalactone (natural)
EINECS 203-208-1
UNII-UHD6M52X0K
BRN 0111677
-Octanolactone
AI3-35896
.gamma. -0ctalactone
gamma-Butylbutyrolactone
gamma -Octanoic lactone
5-17-09-00073 (Beilstein Handbook Reference)
gamma-Octanoic lactone, 97%
SCHEMBL111822
5-Butylhydro-2(3H)-furanone
GAMMA-OCTALACTONE [FCC]
5-butyl-tetrahydro-furan-2-one
CHEMBL3559967
DTXCID9027609
FEMA 2796
IPBFYZQJXZJBFQ-UHFFFAOYSA-
(RS)-.GAMMA.-OCTALACTONE
CHEBI:145738
dihydro-5-butyl-2(3H)-furanone
.GAMMA.-OCTALACTONE [FHFI]
5-Butyldihydro-2(3H)-furanone #
NSC24270
NSC26509
4-Hydroxyoctanoic acid gamma-lactone
Tox21_302569
AC2057
LMFA07040016
gamma-Octalactone, analytical standard
AKOS015904720
CS-W018278
2-FLUORO-BENZIMIDICACIDETHYLESTER
gamma-Octalactone, >=97%, FCC, FG
NCGC00256744-01
BS-14348
CAS-104-50-7
gamma-Octalactone, natural, >=97%, FG
SY015123
H0232
NS00013082
EN300-253946
A800991
A866726
W-108811
Q27291078
InChI=1/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
Microorganism:

Yes

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
Molweight142.2
LogP1.6
Atoms10
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID145738
Supernatural-IDSN0151476

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
Lactobacillus PlantarumHabanero pepperGC–IMSno


5-pentyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
104-61-0
Gamma-nonalactone
gamma-Nonanolactone
5-pentyldihydrofuran-2(3H)-one
5-pentyloxolan-2-one
2(3H)-Furanone, dihydro-5-pentyl-
Prunolide
gamma-Nonanolide
Nonan-1,4-olide
Cocos aldehyde
Coconut aldehyde
4-Nonanolide
1,4-Nonalolide
4-Pentyl-butanolide
Aldehyde C-18
DIHYDRO-5-PENTYL-2(3H)-FURANONE
FEMA No. 2781
gamma-Nonanoic lactone
rac-gamma-Nonanolactone
.gamma.-Nonalactone
.gamma.-n-Amylbutyrolactone
I1XGH66S8P
delta-n-Amylbutyrolactone
CHEMBL191935
DTXSID0034229
Dihydro-5-pentylfuran-2(3H)-one
MFCD00005403
NSC-24253
NSC-46099
apricolin
4-Hydroxynonanoic acid, .gamma.-lactone
4-Nonalactone
gamma-Nonylactone
gamma-Nonyllactone
Nonan-4-olide
82373-92-0
gamma-Pelargolactone
1,4-Nonyl lactone
FEMA Number 2781
gamma-N-Amylbutyrolactone
gamma-Amyl-gamma-butyrolactone
gamma-Pentyl-gamma-butyrolactone
HSDB 5360
EINECS 203-219-1
4-Amyl-4-hydroxybutyric acid lactone
4-Hydroxynonanoic acid, gamma-lactone
UNII-I1XGH66S8P
Nonanoic acid, 4-hydroxy-, gamma-lactone
AI3-02457
?-Nonalactone
4-Pentylbutanolide
.gamma.-Nonalacton
.gamma.-Nonanolide
?-Nonanoic lactone
4-Hydroxynonanoic acid gamma-lactone
NSC 24253
NSC 46099
gamma-Pelargonolactone
.gamma.-Nonanolactone
NONYL LACTONE
gamma -Nonanoic lactone
(r/s)-gamma-nonalactone
.gamma.-Amylbutyrolactone
.gamma.-Nonanoic lactone
5-Pentyl-.gamma.-lactone
EC 203-219-1
gamma-Nonanoic lactone, 97%
SCHEMBL112484
4-Hydroxynonanoic acid lactone
5-Pentyl-dihydro-furan-2-one
GAMMA-NONALACTONE [FCC]
DTXCID8014229
GAMMA-NONALACTONE [INCI]
5-pentyl-tetrahydro-furan-2-one
OALYTRUKMRCXNH-UHFFFAOYSA-
(.+/-.)-.gamma.-Nonalactone
5-Pentyldihydro-2(3H)-furanone
Dihydro-5-pentyl-2(3H)-furanon
.gamma.-Amyl-.gamma.-butyrolactone
.GAMMA.-NONALACTONE [FHFI]
NSC24253
NSC46099
(3H)-Dihydro-5-pentyl-2-furanone
5-Pentyldihydro-2(3H)-furanone #
Tox21_301039
BBL027520
BDBM50167995
LMFA07040021
STL373781
AKOS015904806
CS-W017997
DS-3247
MCULE-8658118167
DELTA-N-AMYLBUTYROLACTONE [HSDB]
gamma-NONALACTONE (ALDEHYDE C-18)
NCGC00164129-01
NCGC00164129-02
NCGC00254941-01
CAS-104-61-0
gamma-Nonanoic lactone, >=98%, FCC, FG
gamma-Nonanoic lactone, natural, 98%, FG
N0285
Nonanoic acid, 4-hydroxy-, .gamma.-lactone
NS00076561
D70273
EN300-342288
gamma-Nonalactone, analytical reference material
J-001202
Q11255995
Z1255430984
InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
57084-16-9
Microorganism:

Yes

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
Molweight156.22
LogP2.2
Atoms11
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID10575
Supernatural-IDSN0260153

mVOC Specific Details

Boiling Point
DegreeReference
134 °C peer reviewed
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
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno


5-heptyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
Gamma-undecalactone
104-67-6
5-Heptyldihydrofuran-2(3H)-one
4-Undecanolide
2(3H)-Furanone, 5-heptyldihydro-
Undecanoic gamma-lactone
Undecan-4-olide
Peach aldehyde
5-heptyloxolan-2-one
Persicol
1,4-Undecanolide
Peach lactone
5-Heptyldihydro-2(3H)-furanone
Aldehyde C-14 peach
gamma-Undecanolactone
4-Hydroxyundecanoic acid lactone
.gamma.-Undecalactone
FEMA No. 3091
Aldehyde C14
.gamma.-n-Heptylbutyrolactone
NSC 406421
5-Heptyl-dihydro-furan-2-one
.gamma.-Undecalatone
.gamma.-Undecanolide
57084-17-0
xi-gamma-Undecalactone
.gamma.-Undecanolactone
MFCD00005405
QB1T0AG2YL
.gamma.-Heptylbutyrolactone
CHEMBL195827
DTXSID4034287
CHEBI:89362
5-Heptyl-dihydrofuran-2(3H)-one
.gamma.-Heptyl-.gamma.-butyrolactone
NSC-46118
NSC-76413
NSC-406421
4-Hydroxyundecanoic acid, .gamma.-lactone
Undecanoic acid, 4-hydroxy-, .gamma.-lactone
WLN: T5OVTJ E7
gamma-Undecanolide
1,4-Hendecanolide
Undecanoic acid, .gamma.-lactone
gamma-Heptyl-gamma-butyrolactone
gamma-n-Heptylbutyrolactone
gamma-Undekalakton
gamma-Undekalakton [Czech]
gamma-Undecalactone (natural)
CCRIS 1425
EINECS 203-225-4
UNII-QB1T0AG2YL
BRN 0081943
g-Undecalactone
AI3-00751
Undecanoic acid, 4-hydroxy-, gamma-lactone
Dihydro-5-heptyl-2(3H)-furanone
Undecanolide-1,4
.gamma.-Undekalakton
Undecanoic ?-lactone
undecylene methyl lactone
Undecanoic gamma -lactone
GAMMA UNDECALACTONE
UNDECALACTONE GAMMA
Undecanoic .gamma.-lactone
EC 203-225-4
SCHEMBL113498
Undecanoic gamma-lactone, 99%
DTXCID2014287
PHXATPHONSXBIL-UHFFFAOYSA-
4- hydroxyundecanoic acid lactone
GAMMA-UNDECALACTONE [FCC]
GAMMA-UNDECALACTONE [INCI]
HMS1786B22
(RS)-.GAMMA.-UNDECALACTONE
NSC46118
NSC76413
5-Heptyldihydro-2(3H)-furanone #
Tox21_300063
BDBM50168011
LMFA07040030
NSC406421
.GAMMA.-UNDECALACTONE [FHFI]
AKOS001076126
(+/-)-.GAMMA.-UNDECALACTONE
CS-W016994
HY-W016278
MCULE-9018416843
gamma-Undecalactone, analytical standard
gamma-Undecalactone, >=98%, FCC, FG
NCGC00164025-01
NCGC00164025-02
NCGC00254148-01
BS-14211
CAS-104-67-6
SY011229
DB-040554
NS00076562
U0003
EN300-05986
D70490
gamma-Undecalactone, natural (US), >=98%, FG
J-001223
Q24734376
Z90120148
InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
Microorganism:

Yes

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
Molweight184.27
LogP3.3
Atoms13
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID10580
Supernatural-IDSN0285884

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


5-propyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Heptalactone
105-21-5
4-Heptanolide
5-propyloxolan-2-one
gamma-Heptanolactone
2(3H)-Furanone, dihydro-5-propyl-
Heptan-4-olide
1,4-Heptanolide
Heptanolide-4,1
4-Hydroxyheptanoic acid lactone
gamma-Propiobutyrolactone
Dihydro-5-propyl-2(3H)-furanone
gamma-Propyl-gamma-butyrolactone
(+/-)-4-Heptanolide
5-propyldihydrofuran-2(3h)-one
.gamma.-Heptalactone
.gamma.-Heptanolactone
FEMA No. 2539
4-Hydroxyheptanoic acid, gamma-lactone
NSC 46097
4-Propyl-4-hydroxybutanoic acid lactone
5-propyl-2-oxolanone
U4XIN3U7DH
.gamma.-Propiobutyrolactone
CHEMBL365316
DTXSID5047611
CHEBI:89744
Dihydro-5-propylfuran-2(3H)-one
.gamma.-Propyl-.gamma.-butyrolactone
MFCD00036498
NSC-46097
NSC-46352
(+/-)-gamma-Propyl-gamma-butyrolactone
4-Hydroxyheptanoic acid, .gamma.-lactone
(+/-)-Dihydro-5-propyl-2(3H)-furanone
Heptanoic acid, 4-hydroxy-, .gamma.-lactone
gamma-Heptalactone (natural)
EINECS 203-279-9
UNII-U4XIN3U7DH
BRN 0109569
5-propyltetrahydrofuran-2-one
gamma-Oenantholacton
.gamma.-Heptanolide
gamma-Enanthonolactone
5-propyldihydrofuran-2-one
SCHEMBL891524
5-Propyl-dihydro-furan-2-one
DTXCID3027611
GAMMA-HEPTALACTONE [FCC]
5-propyl-tetrahydro-furan-2-one
NSC46097
NSC46352
.GAMMA.-HEPTALACTONE [FHFI]
5-Propyldihydro-2(3H)-furanone #
Tox21_302676
BDBM50168009
LMFA07040012
AKOS015905123
TETRAHYDRO-5-PROPYL-2-FURANONE
gamma-Heptalactone, >=98%, FCC, FG
NCGC00256923-01
AS-61574
CAS-105-21-5
DA-19666
DB-040600
CS-0152400
H0510
NS00012513
D90888
EN300-322414
A801165
ENANTHIC ACID, .GAMMA.-HYDROXY-, LACTONE
W-108792
Q24730325
57129-71-2
Microorganism:

Yes

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
Molweight128.17
LogP1.1
Atoms9
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID89744
Supernatural-IDSN0393693

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDinoroseobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano


5-methyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Valerolactone
108-29-2
4-Pentanolide
4-Valerolactone
5-methyldihydrofuran-2(3H)-one
5-methyloxolan-2-one
4-Hydroxypentanoic acid lactone
gamma-Pentalactone
4-Hydroxyvaleric acid lactone
2(3H)-Furanone, dihydro-5-methyl-
4-Methyl-gamma-butyrolactone
NSC 33700
gamma-Methyl-gamma-butyrolactone
4-Methyl-4-hydroxybutanoic acid lactone
DIHYDRO-5-METHYL-2(3H)-FURANONE
.gamma.-Valerolactone
5-Methyltetrahydro-2-furanone
FEMA No. 3103
2(3H)-Furanone, dihydr-5-methyl-
.gamma.-Methyl-.gamma.-butyrolactone
gamma-Pentanolactone
.gamma.-Pentalactone
Valeric acid, 4-hydroxy-, gamma-lactone
MFCD00005400
CHEMBL195593
4-Methyl-.gamma.-butyrolactone
DTXSID0047618
CHEBI:48569
5-Methyldihydro-2(3H)-furanone
Dihydro-5-methylfuran-2(3H)-one
O7056XK37X
NSC-33700
Valeric acid, 4-hydroxy-, .gamma.-lactone
Pentanoic acid, 4-hydroxy-, .gamma.-lactone
Pentanolide-1,4
gamma-Valeryllactone
gamma-Valerolakton
gamma-Valerolakton [Czech]
CCRIS 3597
EINECS 203-569-5
BRN 0080420
5-methyltetrahydrofuran-2-one
y-Valerolactone
Pentanoic acid, 4-hydroxy-, gamma-lactone
UNII-O7056XK37X
AI3-04327
gamma -Valerolactone
.gamma.-Valerolakton
.gamma.-Pentanolactone
4-Methyl-g-butyrolactone
SCHEMBL37255
Dihydro-5-methyl-2-furanone
5-17-09-00024 (Beilstein Handbook Reference)
57129-69-8
5-methyl-dihydro-furan-2-one
DTXCID8027618
Pentanoic acid, .gamma.-lactone
GAMMA-VALEROLACTONE [FCC]
(.+/-.)-4-Methylbutyrolactone
(.+/-.)-.gamma.-Valerolactone
(RS)-.GAMMA.-PENTALACTONE
NSC33700
(3-Amino-pyridin-2-yl)-aceticacid
5-Methyldihydro-2(3H)-furanone #
dihydro-5-methyl-2(3H)-furanone,
Tox21_302624
BBL011475
BDBM50168010
LMFA07040008
STL146587
.GAMMA.-VALEROLACTONE [FHFI]
AKOS005206963
gamma-Valerolactone,delta-Valerolactone
CS-W016654
DS-4944
HY-W015938
MCULE-3014789527
gamma-Valerolactone, analytical standard
4,5-Dihydro-5-methyl-2(3H)-furanone
gamma-Valerolactone, >=99%, FCC, FG
gamma-Valerolactone, natural, 95%, FG
NCGC00256671-01
BP-31066
CAS-108-29-2
SY011304
(+/-)-.GAMMA.-METHYLBUTYROLACTONE
DB-003681
gamma-Valerolactone, ReagentPlus(R), 99%
NS00013327
V0007
EN300-61318
4-HYDROXYPENTANOIC ACID .GAMMA.-LACTONE
P20539
A895293
Q845530
2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-
gamma-Valerolactone, Vetec(TM) reagent grade, 98%
J-002085
F0001-0163
Z963595138
(R)-gamma-Methyl-gamma-butyrolactone;(R)-Dihydro-5-methyl-2(3H)-furanone
4,5-Dihydro-5-methyl-2(3H)-furanone~4-Hydroxypentanoic acid lactone~gamma-Pentanolactone
219630-19-0
Microorganism:

Yes

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
Molweight100.12
LogP0.6
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID48569
Supernatural-IDSN0100269

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANANawrath et al. 2012
EukaryotaCryptococcus Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaPaenibacillus Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDinoroseobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H11GC-MSno
EukaryotaCryptococcus Sp.artificial nectar mediaGC-MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaPaenibacillus Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano


Oxacycloheptadecan-2-one

Compound Details

Synonymous names
16-Hexadecanolide
109-29-5
OXACYCLOHEPTADECAN-2-ONE
Hexadecanolide
hexadecanolactone
Cyclohexadecanolide
16-Hexadecanolactone
1,16-Hexadecanolide
Juniperic acid lactone
Dihydroambrettolide
1,16-Hexadecalactone
1,16-Hexadecanolactone
1-oxacycloheptadecan-2-one
16-Hydroxyhexadecanoic acid lactone
NSC 33546
DTXSID4047622
64E2HO00C7
NSC33546
MFCD00039668
NSC-33546
EINECS 203-662-0
BRN 0148631
juniper muscone
UNII-64E2HO00C7
JUNIPERIC ACID, LACTONE
AI3-37208
Hexadecanoic acid, 16-hydroxy-, omicron-lactone
hexadecano-16-lactone
2-Oxacyclo-heptadecanone
16-Hexadecanolide, 97%
5-17-09-00108 (Beilstein Handbook Reference)
SCHEMBL111372
HEXADECANOLACTONE [INCI]
CHEMBL3189021
DTXCID2027622
CHEBI:179821
Hexadecanolide, >=98%, stabilized
Tox21_302621
CCG-36363
Hexadecanoic acid, .omicron.-lactone
LMFA07040054
16-Hexadecanolide, reference material
AKOS040744516
16-Hexadecanolide, analytical standard
NCGC00256920-01
AS-81214
CAS-109-29-5
SY038613
DB-040861
CS-0068061
H1219
NS00012529
F10387
HEXADECANOIC ACID, 16-HYDROXY-, O-LACTONE
Hexadecanoic acid, 16-hydroxy-, .omicron.-lactone
J-002261
Q21099108
Microorganism:

Yes

IUPAC nameoxacycloheptadecan-2-one
SMILESC1CCCCCCCC(=O)OCCCCCCC1
InchiInChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
FormulaC16H30O2
PubChem ID7984
Molweight254.41
LogP6.3
Atoms18
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID179821
Supernatural-IDSN0211054

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno


2H-furan-5-one

Mass-Spectra

Compound Details

Synonymous names
2(5H)-Furanone
497-23-4
Furan-2(5H)-one
BUTENOLIDE
Isocrotonolactone
2-Buten-4-olide
2-Butenolide
gamma-Crotonolactone
2H-furan-5-one
2-Oxo-2,5-dihydrofuran
Crotonolactone
4-Hydroxy-2-butenoic acid lactone
2-(5H)-furanone
gamma-Crotolactone
alpha,beta-Crotonolactone
delta,alpha,beta-Butenolide
gamma-Hydroxycrotonic acid lactone
5H-furan-2-one
but-2-en-4-olide
2-Butenoic acid gamma-lactone
2-Butenoic acid-gamma-lactone
.gamma.-Crotonolactone
2-Buten-1,4-olide
2,5-dihydrofuran-2-one
4-Hydroxycrotonic acid gamma-lactone
NSC 197009
2,5-Dihydrofuranone
2-Butenoic acid, 4-hydroxy-, gamma-lactone
MFCD00005376
4-Hydroxy-2-butenoic acid gamma-lactone
CHEMBL166223
CHEBI:38118
2-Butenoic acid-.gamma.-lactone
8KXK25H388
.delta.,.alpha.,.beta.-Butenolide
.gamma.-Hydroxycrotonic acid lactone
NSC-197009
4-Hydroxy-2-butenoic acid .gamma.-lactone
Crotonic acid, 4-hydroxy-, .gamma.-lactone
2-Butenoic acid, 4-hydroxy-, .gamma.-lactone
.DELTA..alpha.,.beta.-Butolide
2-Butenoic acid, .gamma.-lactone
.DELTA..alpha.,.beta.-Butenolide
CCRIS 5722
EINECS 207-839-3
BRN 0383585
UNII-8KXK25H388
g-Crotonolactone
?-Crotonolactone
5H-furanone
HSDB 8151
2_5H_furanone
CRATONE
.gamma.-Crotolactone
5 H-Furan-2-one
(5H)-furan-2-one
alpha,alpha,beta-Butolide
2(5H)FURANONE
.BETA.-CROTONOLACTONE
2(5H)-Furanone, 98%
5-17-09-00112 (Beilstein Handbook Reference)
laquo gammaRaquo -crotolactone
.alpha.,.beta.-Crotonolactone
Crotonic acid, 4-hydroxy-, gamma-lactone (6CI,7CI)
laquo gammaRaquo -crotonolactone
DTXSID7075422
FEMA NO. 4138
VIHAEDVKXSOUAT-UHFFFAOYSA-
BCP15247
NSC51296
BBL103594
BDBM50360798
NSC-51296
NSC197009
STL557404
AKOS000268618
CS-W008270
HY-W008270
laquo deltaRaquo ,alpha,beta-butenolide
MCULE-4296503663
SB60895
Crotonic acid, 4-hydroxy-, gamma-lactone
SY017893
2-Butenoic acid-laquo gammaRaquo -lactone
DB-027466
2-Oxo-2,5-dihydrofuran(2-[5H]-furanone)
5-OXO-2,5-DIHYDROFURAN-3-YL ESTER
A7404
AM20100212
NS00021175
EN300-80159
laquo gammaRaquo -hydroxycrotonic acid lactone
C17601
2(5H)-Furanone (laquo gammaRaquo -crotonolactone)
4-Hydroxy-2-butenoic acid laquo gammaRaquo -lactone
J-506134
Q4596886
Crotonic acid, 4-hydroxy-, laquo gammaRaquo -lactone
2-Butenoic acid, 4-hydroxy-, laquo gammaRaquo -lactone
Z1219048777
4-HYDROXY-2-BUTENOIC ACID .GAMMA.-LACTONE [FHFI]
InChI=1/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Microorganism:

Yes

IUPAC name2H-furan-5-one
SMILESC1C=CC(=O)O1
InchiInChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
FormulaC4H4O2
PubChem ID10341
Molweight84.07
LogP-0.6
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalkenes esters heterocyclic compounds lactones
CHEBI-ID38118
Supernatural-IDSN0391056

mVOC Specific Details

Boiling Point
DegreeReference
86 °C peer reviewed
Volatilization
The Henry's Law constant for 2(5H)-furanone is estimated as 9.7X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2(5H)-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 3.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 29 days(SRC). 2(5H)-Furanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2(5H)-Furanone is not expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 0.98 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) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Solubility
In water, 8.50X10+5 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2(5H)-furanone can be estimated to be 6(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2(5H)-furanone is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 25, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.981 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaGeniculosporium Sp.NACitron et al. 2012
EukaryotaHypoxylon SerpensNAEdwards and Whalley 1979
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Borchiiyes
EukaryotaGeniculosporium Sp.no
EukaryotaHypoxylon Serpensno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


Oxan-2-one

Compound Details

Synonymous names
delta-Valerolactone
542-28-9
TETRAHYDRO-2H-PYRAN-2-ONE
5-Valerolactone
oxan-2-one
2H-Pyran-2-one, tetrahydro-
tetrahydropyran-2-one
Valerolactone
Tetrahydro-2-pyranone
.delta.-Valerolactone
26354-94-9
.delta.-Valeryllactone
tetrahydro-pyran-2-one
1-Oxacyclohexan-2-one
NSC 6247
CHEMBL452383
DTXSID6044438
CHEBI:16545
NSC-6247
MFCD00006645
14V1X9149L
Penta-1,5-lactone
delta-Valeryllactone
d-valerolactone
Cyclopentanolide
o-Valerolactone
o-Valeryllactone
5-pentanolide
UNII-14V1X9149L
Pentan-5-olide
Delta valerolactone
2-oxotetrahydropyran
Delta-Valerolactotie
EINECS 208-807-1
delta -Valerolactone
.delta.-Pentalactone
tetrahydro-4H-pyranone
AI3-25024
Pentanoic acid, 5-hydroxy-, delta-lactone
Valeric acid, delta-hydroxy-, delta-lactone
WLN: T6OVTJ
Tetrahydro-2H-2-pyranone
EC 208-807-1
SCHEMBL37722
Valeric acid, .delta.-lactone
DTXCID4024438
Pentanoic acid, .delta.-lactone
NSC6247
DELTA-VALEROLACTONE [INCI]
NSC65442
STR08736
delta-Valerolactone, technical grade
Tox21_302166
BDBM50360797
NSC 65442
NSC-65442
s3099
AKOS009158729
CS-W013713
HY-W012997
MCULE-4682307363
5-Hydroxypentanoic acid .delta.-lactone
NCGC00255756-01
CAS-542-28-9
Delta-valerolactone (may contain polymer)
SY018264
DB-050659
NS00005148
V0039
EN300-43042
Pentanoic acid, 5-hydroxy-, .delta.-lactone
tetrahydro-2H-pyran-2-one,2-Perhydropyranone
C02240
(Difluoro-trimethylsilanyl-methyl)-phosphonicacid
Q903610
Valeric acid, .delta.-hydroxy-, .delta.-lactone
W-105654
InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H
Z432085120
Microorganism:

Yes

IUPAC nameoxan-2-one
SMILESC1CCOC(=O)C1
InchiInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
FormulaC5H8O2
PubChem ID10953
Molweight100.12
LogP-0.3
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID16545
Supernatural-IDSN0279228

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


5-ethyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Caprolactone
695-06-7
gamma-Hexalactone
gamma-Hexanolactone
4-Hexanolide
6-Caprolactone
5-Ethyldihydrofuran-2(3H)-one
5-ethyloxolan-2-one
Tonkalide
2(3H)-Furanone, 5-ethyldihydro-
Hexanolide-1,4
Toukalide
Hexan-4-olide
4-Ethyl-4-butanolide
4-Hydroxyhexanoic acid lactone
gamma-Ethylbutyrolactone
5-Ethyltetrahydro-2-furanone
.gamma.-Caprolactone
gamma-Ethyl-n-butyrolactone
5-ETHYLDIHYDRO-2(3H)-FURANONE
.gamma.-Hexalactone
FEMA No. 2556
Frutinal
.gamma.-Ethylbutyrolactone
NSC 24255
NSC 134769
.gamma.-Hexanolactone
Dihydro-5-ethyl-2(3H)-furanone
.gamma.-Ethyl-.gamma.-butyrolactone
MFCD00005401
(R)-5-Ethyldihydrofuran-2(3H)-one
gamma-Ethyl-gamma-butyrolactone
CHEMBL192458
J16NAT1G41
DTXSID8041298
CHEBI:85235
NSC-24255
NSC-134769
63357-95-9
Hexanoic acid, .gamma.-lactone
EINECS 211-778-8
4-Ethyl-4-hydroxybutanoic acid lactone
BRN 0107260
UNII-J16NAT1G41
Hexanoic acid, 4-hydroxy-, gamma-lactone
-Hexalactone
AI3-36655
4-Ethylbutanolide
hexa-4-olide
4-Hydroxyhexanoate
gamma -Caprolactone
4-hydroxy-Hexanoate
starbld0016506
.GAMMA.-LACTONE
gamma-Caprolactone, 98%
SCHEMBL36360
5-17-09-00040 (Beilstein Handbook Reference)
.GAMMA.-CAPROLACTONE-
.gamma.-Ethyl-n-butyrolactone
5-Ethyl-dihydro-furan-2-one
4-hydroxy-Hexanoic acid lactone
GAMMA-HEXALACTONE [FCC]
DTXCID6021298
GAMMA-CAPROLACTONE [INCI]
.GAMMA.-HEXALACTONE [FHFI]
5-Ethyldihydro-2(3H)-furanone #
NSC24255
Hexanoic acid, 4-hydroxy-, lactone
Tox21_300875
(+/-)-4-ETHYLBUTYROLACTONE
AC2069
BDBM50167994
LMFA07040010
NSC134769
s6265
(+/-)-.GAMMA.-HEXALACTONE
4-ethylbutanolide (gamma-hexalactone)
4-hydroxy-Hexanoic acid gamma-lactone
gamma-Hexalactone, analytical standard
AKOS015908187
CS-W016608
DS-6470
gamma-Hexalactone, natural, 97%, FG
HY-W015892
SB47678
gamma-Hexalactone, >=98%, FCC, FG
NCGC00248198-01
NCGC00254779-01
CAS-695-06-7
SY015382
2(3H)-Furanone, 5-ethyldihydro-, (R)-
DB-055288
DS-016225
H0514
Hexanoic acid, 4-hydroxy-, .gamma.-lactone
NS00012560
EN300-156820
gamma-Caprolactone, Vetec(TM) reagent grade, 98%
(+/-)-.GAMMA.-ETHYL-.GAMMA.-BUTYROLACTONE
gamma-Ethyl-gamma-butyrolactone, gamma-Caprolactone
Q27158424
Z1255423463
Microorganism:

Yes

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
Molweight114.14
LogP0.7
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID85235
Supernatural-IDSN0160801

mVOC Specific Details

MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
EukaryotaTrichoderma Sp.no
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno


6-pentyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
DELTA-DECALACTONE
705-86-2
6-Pentyltetrahydro-2H-pyran-2-one
5-Decanolide
6-pentyloxan-2-one
2H-Pyran-2-one, tetrahydro-6-pentyl-
Decan-5-olide
delta-Decanolactone
Decanolide-1,5
5-Decalactone
Amyl-delta-valerolactone
5-Pentyl-5-pentanolide
5-Hydroxydecanoic acid delta-lactone
FEMA No. 2361
delta-Pentyl-delta-valerolactone
(+/-)-5-Decanolide
Tetrahydro-6-pentyl-2H-pyran-2-one
.delta.-Decalactone
5-Amyl-5-hydroxypentanoic acid lactone
AI3-36028
.delta.-Amylvalerolactone
MFCD00006649
(R)-(+)-delta-Decanolactone
CNA0S5T234
Tetrahydro-6-pentylpyran-2-one
DTXSID0044496
CHEBI:87327
(+/-)-delta-Pentyl-delta-valerolactone
(+/-)-6-Pentyltetrahydro-2H-pyran-2-one
Decanoic acid, 5-hydroxy-, .delta.-lactone
delta-Decalactone (natural)
d-decalactone
(S)-(-)-DELTA-DECANOLACTONE
EINECS 211-889-1
BRN 0117520
UNII-CNA0S5T234
|A-Decanolactone
.delta.-Decanolide
delta-Caprinolactone
6-pentylvalerolactone
.delta.-Decanolactone
delta-Amylvalerolactone
DECALACTONE DELTA
.DELTA.-LACTONE
delta - DECALACTONE
(r/s)-delta-decalactone
5-Hydroxydecanoic lactone
.DELTA.-LACTONE-
Amyl-.delta.-valerolactone
5-Decanolide, >=98%
EC 211-889-1
(R)-(+)delta-Decalactone
laquo deltaRaquo -decanolide
laquo deltaRaquo -decalactone
5-17-09-00090 (Beilstein Handbook Reference)
SCHEMBL114875
5-Hydroxydecanoic acid lactone
laquo deltaRaquo -decanolactone
DELTA-DECALACTONE [FCC]
CHEMBL3182189
DELTA-DECALACTONE [INCI]
DTXCID8024496
6-pentyl-tetrahydro-pyran-2-one
FEMA 2361
(RS)-.DELTA.-DECALACTONE
.DELTA.-DECALACTONE [MI]
laquo deltaRaquo -amylvalerolactone
.DELTA.-DECALACTONE [FHFI]
Amyl-laquo deltaRaquo -valerolactone
LT laquo deltaRaquo GT -decalactone
Tox21_301878
AC2158
BBL027599
LMFA07040028
STL373782
(+/-)-.DELTA.-DECALACTONE
delta-Decalactone, analytical standard
6-Pentyltetrahydro-2H-pyran-2-one #
AKOS015914990
5-Hydroxydecanoic acid .delta.-lactone
CS-W017695
DS-3354
HY-W016979
MCULE-2527242599
delta-Decalactone, >=98%, FCC, FG
NCGC00255981-01
CAS-705-86-2
SY015319
DB-055433
D1416
NS00009766
5-Decanolide (laquo deltaRaquo -decalactone)
CAPRIC ACID, .DELTA.-HYDROXY-, LACTONE
delta-Decalactone, natural, >=98%, FCC, FG
EN300-203358
FEMA NO. 4611, .DELTA.-DECALACTONE-
5-Hydroxydecanoic acid laquo deltaRaquo -lactone
W-104548
Decanoic acid, 5-hydroxy-, laquo deltaRaquo -lactone
Q27159530
delta-Decanolactone, (+/-)-delta-Pentyl-delta-valerolactone
Microorganism:

Yes

IUPAC name6-pentyloxan-2-one
SMILESCCCCCC1CCCC(=O)O1
InchiInChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
FormulaC10H18O2
PubChem ID12810
Molweight170.25
LogP2.5
Atoms12
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID87327
Supernatural-IDSN0105563

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma AggressivumNARadványi et al. 2015
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma Aggressivumno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


5-hexyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Decalactone
706-14-9
4-Decanolide
gamma-Decanolactone
Decan-4-olide
5-hexyldihydrofuran-2(3H)-one
5-hexyloxolan-2-one
2(3H)-Furanone, 5-hexyldihydro-
5-Hexyldihydro-2(3H)-furanone
2-Decalactone
Decanolide-1,4
.gamma.-Decalactone
4-Hexyl-4-butanolide
5-Hexyltetrahydro-2-furanone
gamma-N-Decalactone
Decanolactone
4-Hexyl-gamma-butyrolactone
2825-92-5
FEMA No. 2360
gamma-Hexyl-gamma-butyrolactone
gamma-N-Hexyl-gamma-butyrolactone
MFCD00005404
NSC 24248
NSC 26510
4-Hexyl-4-hydroxybutanoic acid lactone
.gamma.-Decanolactone
.gamma.-N-Decalactone
4-Hydroxydecanoic acid gamma-lactone
.gamma.-Hexylbutyrolactone
7HLS05KP9O
4-Hexyl-.gamma.-butyrolactone
CHEMBL365740
Decanoic acid, .gamma.-lactone
DTXSID4022109
.gamma.-Hexyl-.gamma.-butyrolactone
Hydroxydecanoic acid .gamma.-lactone
NSC-24248
NSC-26510
.gamma.-N-Hexyl-.gamma.-butyrolactone
4-Hydroxydecanoic acid, .gamma.-lactone
WLN: T5OVTJ E6
gamma-Decalactone (natural)
Gamma Decalactone
Decanoic acid, gamma-lactone
Hydroxydecanoic acid gamma-lactone
Hydroxydecanoic acid, gamma-lactone
EINECS 211-892-8
4-Hydroxydecanoic acid, gamma-lactone
UNII-7HLS05KP9O
BRN 0117547
Decanoic acid, 4-hydroxy-, gamma-lactone
4-Hydroxydecanoic acid lactone
AI3-36026
??Decalactone
4-Decalactone
.gamma.-Decanolide
gamma -Decanolactone
starbld0003214
DECALACTONE GAMMA
4-n-hexyl-4-butanolide
gamma-Decanolactone, 98%
gamma-n-hexyl butyrolactone
EC 211-892-8
Gamma-n-hexyl-butyrolactone
5-17-09-00093 (Beilstein Handbook Reference)
5-Hexyl-dihydro-furan-2-one
SCHEMBL113200
DTXCID002109
GAMMA-DECALACTONE [FCC]
GAMMA-DECALACTONE [INCI]
CHEBI:145740
(.+/-.)-.gamma.-Decanolactone
.GAMMA.-DECALACTONE [FHFI]
HY-N7105
NSC24248
NSC26510
xi-5-Hexyldihydro-2(3H)-furanone
Tox21_301095
BBL027521
BDBM50167997
s5375
STL372952
AKOS015905260
CCG-266362
CS-W017696
MCULE-8274362783
gamma-Decalactone, >=98%, FCC, FG
5-HEXYLDIHYDRO-2-(3H)-FURANONE
NCGC00248286-01
NCGC00254995-01
CAS-706-14-9
SY015566
VS-08558
Decanoic acid, 4-hydroxy-, .gamma.-lactone
H0233
NS00004009
D70097
gamma-Decalactone, analytical reference material
Q423956
J-017021
W-104547
Microorganism:

Yes

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
Molweight170.25
LogP2.7
Atoms12
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID145740
Supernatural-IDSN0144655

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno


6-heptyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
DELTA-DODECALACTONE
713-95-1
6-Heptyltetrahydro-2H-pyran-2-one
5-Dodecanolide
delta-Dodecanolactone
6-heptyloxan-2-one
Dodecan-5-olide
2H-Pyran-2-one, 6-heptyltetrahydro-
5-Dodecalactone
Dodecanolide-1,5
5-Hydroxydodecanoic acid lactone
xi-5-Dodecanolide
n-Heptyl-delta-valerolactone
.delta.-Dodecalactone
FEMA No. 2401
delta-Heptyl-delta-valerolactone
(+/-)-5-Dodecanolide
Dodecanoic acid, 5-hydroxy-, delta-lactone
33DIC582TL
6-Heptyl-tetrahydropyran-2-one
.delta.-Heptyl-.delta.-valerolactone
MFCD00006651
(+/-)-delta-Heptyl-delta-valerolactone
Dodecanoic acid, 5-hydroxy-, .delta.-lactone
delta-Dodecalactone (natural)
d-Dodecalactone
HSDB 292
EINECS 211-932-4
UNII-33DIC582TL
AI3-36030
delta-Laurolactone
DELTALACTONE
6-heptyl-2-oxanone
5-Hydroxydodecanoic acid delta-lactone
5-Dodecanolide, 99%
EC 211-932-4
SCHEMBL114922
n-Heptyl-.delta.-valerolactone
.DELTA.-DODECANE LACTONE
CHEMBL4636895
DTXSID9047596
6-heptyl-tetrahydro-pyran-2-one
QRPLZGZHJABGRS-UHFFFAOYSA-
DELTA-DODECALACTONE [FCC]
CHEBI:171817
5-Hydroxydodecanoic acid d-lactone
DELTA-DODECALACTONE [HSDB]
delta-Dodecalactone, >=97%, FG
.DELTA.-DODECALACTONE [MI]
(R,S)-.DELTA.-DODECALACTONE
BBL027600
LMFA07040040
STL373783
.DELTA.-DODECALACTONE [FHFI]
2H-Pyran-2-one, tetrahydro-6-heptyl
AKOS015915485
(+/-)-.DELTA.-DODECALACTONE
CS-W010531
MCULE-4837230476
SB47814
delta-Dodecalactone, analytical standard
DS-11405
SY015678
5-Hydroxydodecanoic acid, .delta.-lactone
6-(Hept-1-yl)tetrahydro-2H-pyran-2-one
(+/-)-6-Heptyltetrahydro-2H-pyran-2-one
DB-055522
AI 3-36030
D1414
NS00009933
D70226
A837171
W-109596
delta-Dodecalactone;6-Heptyltetrahydro-2H-pyran-2-one
Q27256257
3051-22-7
InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
Microorganism:

Yes

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
Molweight198.3
LogP3.6
Atoms14
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID171817
Supernatural-IDSN0313340

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


5-octyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Dodecalactone
4-Dodecanolide
2305-05-7
5-octyloxolan-2-one
2(3H)-Furanone, dihydro-5-octyl-
GAMMA-DODECANOLACTONE
Dodecanolide-1,4
Dodecan-4-olide
4-Hydroxydodecanoic acid lactone
Dihydro-5-octyl-2(3H)-furanone
.gamma.-Dodecalactone
5-OCTYLDIHYDROFURAN-2(3H)-ONE
(+/-)-4-Dodecanolide
FEMA No. 2400
5-octyl-2-oxolanone
Dihydro-5-octylfuran-2(3H)-one
.gamma.-Dodecanolactone
NSC 26511
.gamma.-n-Octyl-.gamma.-N-butyrolactone
CHEMBL195215
YX9N4581LU
DTXSID7047190
5-Octyl-dihydrofuran-2(3H)-one
.gamma.-Octyl-.gamma.-butyrolactone
xi-Dihydro-5-octyl-2(3H)-furanone
MFCD00036499
NSC-26511
(+/-)-gamma-Octyl-gamma-butyrolactone
4-Hydroxydodecanoic acid, .gamma.-lactone
Dodecanoic acid, 4-hydroxy-, .gamma.-lactone
gamma-Dodecalactone (natural)
dodecalactone
5-octyltetrahydrofuran-2-one
gamma-Octyl-gamma-butyrolactone
?4-Dodecanolide
gamma-Laurolactone
gamma Dodecalactone
gamma-n-Octyl-gamma-N-butyrolactone
EINECS 218-971-6
.gamma.-Dodecanolide
.gamma. Dodecalactone
4-Hydroxy-4-octylbutanoic acid lactone
gamma -Dodecanolactone
AI3-35986
Dodecanoic acid, 4-hydroxy-, gamma-lactone
WLN: T5OVTJ E8
UNII-YX9N4581LU
(GAMMA)-DODECALACTONE
(+/-)-delta-dodecanolactone
5-Octyl-dihydro-furan-2-one
DODECANO-1,4-LACTONE
SCHEMBL111041
5-octyl-tetrahydro-furan-2-one
DTXCID5027190
Dodecanoic acid, .gamma.-lactone
GAMMA-DODECALACTONE [FCC]
CHEBI:171837
(.+/-.)-4-n-Octylbutyrolactone
(RS)-.GAMMA.-DODECALACTONE
5-Octyldihydro-2(3H)-furanone #
NSC26511
Tox21_302617
2-(3H)-Furanone, 5-octyldihydro-
5-OCTYLTETRAHYDRO-2-FURANONE
BDBM50168008
LMFA07040042
.GAMMA.-DODECALACTONE [FHFI]
4-(chloromethyl)cinnamicacidmethylester
AKOS015904896
(+/-)-.GAMMA.-DODECALACTONE
(+/-)-4-N-OCTYLBUTYROLACTONE
gamma-Dodecalactone, analytical standard
gamma-Dodecalactone, >=97%, FCC, FG
NCGC00256822-01
AS-61143
(+/-)-Dihydro-5-octyl-2(3H)-furanone
CAS-2305-05-7
.GAMMA,-OCTYL-.GAMMA.-BUTYROLACTONE
DB-003478
gamma-Dodecalactone, natural, >=98%, FG
CS-0320646
D1576
NS00012351
4-HYDROXYDODECANOIC ACID GAMMA.-LACTONE
4-HYDROXYDODECANOIC ACID(GAMMA)-LACTONE
D89886
A816525
Q27294762
57084-18-1
Microorganism:

Yes

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
Molweight198.3
LogP3.8
Atoms14
Bonds7
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID143727
Supernatural-IDSN0409743

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


4-methyloxetan-2-one

Compound Details

Synonymous names
beta-Butyrolactone
3068-88-0
4-Methyloxetan-2-one
2-Oxetanone, 4-methyl-
(+/-)-b-Butyrolactone
4-METHYL-2-OXETANONE
.beta.-Butyrolactone
36536-46-6
Hydroxybutyric acid lactone
3-Hydroxybutyric acid lactone
DL-.beta.-Butyrolactone
(R)-4-Methyloxetan-2-one
8BB68V31MT
DTXSID1020223
CHEBI:82296
2-Oxetanone, 4-methyl-, (S)-
MFCD00005170
b-Butyrolactone
DTXCID50223
beta-Butyrolakton
beta-Butyrolakton [Czech]
CCRIS 111
CAS-3068-88-0
(4R)-4-methyloxetan-2-one
EINECS 221-330-3
EINECS 253-093-7
3-Hydroxybutanoic acid, beta-lactone
UNII-8BB68V31MT
(1)-4-Methyloxetan-2-one
beta -butyrolactone
.beta.-Butyrolakton
BETABUTYROLACTONE
beta-Methylpropiolactone
racemic beta-butyrolactone
beta-Butyrolactone, 98%
beta-Methyl-beta-propiolactone
CHEMBL1361205
RAC-.BETA.-BUTYROLACTONE
BETA-BUTYROLACTONE [IARC]
3-Hydroxybutyric acid beta-lactone
Tox21_201253
Tox21_302988
MFCD12827426
(+/-)-.BETA.-BUTYROLACTONE
AKOS015955924
3-Hydroxybutyric acid, .beta.-lactone
AT19323
beta-Butyrolactone, analytical standard
3-Hydroxybutanoic acid, .beta.-lactone
Butanoic acid, 3-hydroxy-, beta-lactone
NCGC00091733-01
NCGC00091733-02
NCGC00256595-01
NCGC00258805-01
SY051647
SY310635
(+/-)-.BETA.-METHYLPROPIOLACTONE
DB-243105
B0901
CS-0377913
NS00022032
NS00089056
C19201
EN300-6940117
J-018058
Q27155863
Microorganism:

Yes

IUPAC name4-methyloxetan-2-one
SMILESCC1CC(=O)O1
InchiInChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
FormulaC4H6O2
PubChem ID18303
Molweight86.09
LogP0.3
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID82296
Supernatural-IDSN0113875

mVOC Specific Details

Boiling Point
DegreeReference
71.11111111111111 median, REST, convertet to C
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno


6-butyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
DELTA-NONALACTONE
3301-94-8
2H-Pyran-2-one, 6-butyltetrahydro-
6-Butyltetrahydro-2H-pyran-2-one
6-butyloxan-2-one
5-Nonanolide
delta-Nonanolactone
5-Nonalactone
Hydroxynonanoic acid delta-lactone
5-Butyl-delta-valerolactone
Nonan-1,5-olide
.delta.-Nonalactone
delta-Butyl-delta-valerolactone
FEMA No. 3356
5-Hydroxynonanoic acid, lactone
delta-Hydroxypelargonic acid lactone
5-Hydroxynonanoic acid delta-lactone
.delta.-Butylvalerolactone
DMB99B4WCF
5-Butyl-5-hydroxypentanoic acid lactone
Nonanoic acid, 5-hydroxy-, delta-lactone
MFCD00036500
2H-Pyran-2-one, tetrahydro-6-butyl
UNII-DMB99B4WCF
beta -nonalactone
EINECS 221-974-5
.delta. Nonalactone
delta-Pelargonolactone
AI3-36027
5-Hydroxynonanoicacidlactone
laquo deltaRaquo -nonanolide
.DELTA.-NONANOLACTONE
SCHEMBL918003
5-Hydroxynonanoic acid lactone
DELTA-NONALACTONE [FCC]
FEMA 3356
DTXSID70863149
(RS)-.DELTA.-NONALACTONE
CHEBI:171747
(+/-)-DELTA-NONALACTONE
delta-Nonalactone, 98%, FCC, FG
6-Butyltetrahydro-2H-pyran-2-one #
AKOS015914962
CS-W018000
delta-Nonalactone, natural, 98%, FG
HY-W017284
MCULE-5855223168
SB46699
SB46732
6-Butyltetrahydro-2H-pyran-2-one, 9CI
AS-62019
SY050146
.DELTA.-BUTYL-.DELTA.-VALEROLACTONE
NONANOIC ACID, 5-HYDROXY-, LACTONE
N0424
NS00013033
5-HYDROXYNONANOIC ACID .DELTA.-LACTONE
D91705
delta-Nonalactone;5-n-Butyl-delta-valerolactone
HYDROXYNONANOIC ACID .DELTA.-LACTONE [FHFI]
J-018980
NONANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE
Q25323843
105140-26-9
Microorganism:

Yes

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
Molweight156.22
LogP2.4
Atoms11
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID171747
Supernatural-IDSN0297933

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaDinoroseobacter Shibaen/an/ano
EukaryotaTrichoderma Atrovirideno
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno


4-hydroxy-2,5-dimethylfuran-3-one

Mass-Spectra

Compound Details

Synonymous names
Furaneol
3658-77-3
4-hydroxy-2,5-dimethylfuran-3(2H)-one
4-Hydroxy-2,5-dimethyl-3(2H)-furanone
4-Hydroxy-2,5-dimethyl-3(2H)furanone
2,5-Dimethyl-4-hydroxy-3(2H)-furanone
Pineapple ketone
Dimethylhydroxy furanone
Alletone
3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-
4-hydroxy-2,5-dimethylfuran-3-one
Strawberry furanone
4-hydroxy-2,5-dimethyl-3-furanone
Coe 536
FEMA No. 3174
FEMA 3174
2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one
2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran
4-Hydroxy-2,5-dimethylfuran-2(3H)-one
4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one
3(2H)-FURANONE, 2,5-DIMETHYL-4-HYDROXY-
20PI8YZP7A
192466-95-8
DTXSID0041517
CHEBI:76247
MFCD00010706
EINECS 222-908-8
UNII-20PI8YZP7A
BRN 1281357
CCRIS 8102
4-Hydroxy-2,5-dimethyl-3(2H)-furanone (natural)
ALNOSE
HDMF
dimethylhydroxyfuranone
(+/-)-Furaneol
SCHEMBL57008
CHEMBL3186302
DIMETHYL DIHYDROFURANOLONE
DTXCID8021517
HSDB 8322
HY-N7093
Tox21_300823
2,5-DIMETHYLDIHYDROFURANOLONE
AC8010
s5178
AKOS015900499
CS-W013470
DIMETHYLHYDROXY FURANONE [INCI]
MCULE-3813239281
SB60884
NCGC00248185-01
NCGC00254727-01
2,5-dimethyl-4-hydroxy-2h-furan-3-one
2,5-dimethyl-4-hydroxy-3[2H] furanone
4-hydroxy-2,5-dimethyl-3-oxo-2H-furan
AC-14027
AS-15673
SY035594
CAS-3658-77-3
2,5-dimethyl-4-hydroxy-3-(2H)-furanone
2.5-dimethyl-4-hydroxy-3-(2H)-furanone
4-hydroxy-2,5-dimethyl-furan-3(2H)-one
DB-003486
2,5-dimethyl-4-hydroxy-(2h)-furan-3-one
2,5-dimethyl-4-hydroxy-3-oxo-(2H)-furan
D1569
D1884
NS00012307
C20717
EN300-175904
2,3-Dihydro-4-hydroxy-2,5-dimethyl-3-furanone
4-oxo-3-hydroxy-2,5-dimethyl-4,5-dihydrofuran
A823300
Q250455
Q-100434
4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FCC]
4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FHFI]
Z1255395050
2,5-Dimethyl-4-hydroxy-3(2H)-furanone (Technical Grade)
4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=99.0% (GC)
4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=98%, FCC, FG
4-Hydroxy-2,5-dimethyl-3(2H)-furanone, analytical standard
4-Hydroxy-2,5-dimethyl-3(2H)-furanone, natural, >=98%, FG
InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H
4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 15 wt. % (in propylene glycol), FG
Microorganism:

No

IUPAC name4-hydroxy-2,5-dimethylfuran-3-one
SMILESCC1C(=O)C(=C(O1)C)O
InchiInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
FormulaC6H8O3
PubChem ID19309
Molweight128.13
LogP0.7
Atoms9
Bonds0
H-bond Acceptor3
H-bond Donor1
Chemical Classificationalcohols heterocyclic compounds lactones
CHEBI-ID76247
Supernatural-IDSN0149971

mVOC Specific Details

Boiling Point
DegreeReference
216 deg CRowan DD; Metabolites 1(1): 41-63 (2011)
Volatilization
The Henry's Law constant for dimethylhydroxy furanone is estimated as 1.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dimethylhydroxy 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 3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 25 days(SRC). Dimethylhydroxy furanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dimethylhydroxy furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.008 mm Hg(SRC), determined from a fragment constant method(1); however, dimethylhydroxy furanone does emit an odor(3) even though it exists as a solid.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 13, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Panten J, Surburg H; Flavors and Fragrances, 3. Aromatic and Heterocyclic Compounds. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2016). New York, NY: John Wiley & Sons. Online Posting Date: Jan 28, 2016.
Solubility
In water, 0.315 g/mL at 25 deg C
Literature: Chen Y, Sidisky LM; J Chromatogr A 1218(38): 6817-6822 (2011)
Literature: #Soluble in oil and ethanol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 921
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethylhydroxy furanone can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethylhydroxy furanone is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 13, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.008 mm Hg at 25 deg CUS EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 13, 2016: http://www2.epa.gov/tsca-screening-tools/
MS-Links
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaPenicillium Crustosumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaPenicillium Crustosumyest extract sucroseTenax/GC-MSno


3,5-dimethyloxolan-2-one

Compound Details

Synonymous names
3,5-dimethyloxolan-2-one
5145-01-7
2-Methyl-4-pentanolide
3,5-Dimethyldihydro-2(3H)-furanone
DIHYDRO-3,5-DIMETHYL-2(3H)-FURANONE
NSC250665
SCHEMBL576309
DTXSID30965779
CHEBI:167075
IYJMJJJBGWGVKX-UHFFFAOYSA-N
3,5-Dimethyldihydrofuran-2(3H)-one
AKOS015908174
NSC 250665
NSC-250665
3,5-Dimethyldihydro-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
Molweight114.14
LogP1.2
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID167075
Supernatural-IDSN0158653

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Sp.n/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano


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

Mass-Spectra

Compound Details

Synonymous names
15356-74-8
DIHYDROACTINIDIOLIDE
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
17092-92-1
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
(+/-)-dihydroactinidiolide
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
BH8469LVA9
MFCD06409997
Dihydroactinolide
( inverted exclamation markA)-Dihydroactinidiolide
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one
4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone
4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Dihydroactindiolide
UNII-BH8469LVA9
EINECS 239-390-4
( inverted exclamation markA)dihydro actinidiolide
SCHEMBL3503557
CHEMBL2271411
FEMA NO. 4020
DIHYDROACTINIDIOLIDE [MI]
DTXSID00864588
CHEBI:176780
5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one
2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone
BDBM50595063
NSC357087
AKOS015902000
CS-W022041
DIHYDROACTINIDIOLIDE, (+/-)-
FS-3501
HY-W041301
SY113388
NS00051943
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzouran-2-one
Q27274663
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-
2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #
(2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE
(+/-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE [FHFI]
4 pound not4 pound not7a-Trimethyl-5 pound not6 pound not7 pound not7a-tetrahydrobenzofuran-2(4H)-one
Microorganism:

Yes

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
Molweight180.24
LogP2.2
Atoms13
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalcohols lactones heterocyclic compounds esters
CHEBI-ID176780
Supernatural-IDSN0149480

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno


4-ethyloxolan-2-one

Compound Details

Synonymous names
4-ethyloxolan-2-one
16496-51-8
4-ethyldihydrofuran-2(3H)-one
2(3H)-Furanone, 4-ethyldihydro-
Aethyl-butyrolacton
4-Ethylbutan-4-olide
Aethyl-butyrolacton [German]
BRN 0107277
Dihydro-4-ethyl-2(3H)-furanone
2(3H)-FURANONE, DIHYDRO-4-ETHYL-
Brivaracetam Impurity 28
5-17-09-00042 (Beilstein Handbook Reference)
SCHEMBL9616911
DTXSID90937018
MDQZVJSUBKPTHG-UHFFFAOYSA-N
BS-46704
F77504
Microorganism:

No

IUPAC name4-ethyloxolan-2-one
SMILESCCC1CC(=O)OC1
InchiInChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3
FormulaC6H10O2
PubChem ID27893
Molweight114.14
LogP1
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters
CHEBI-ID201213
Supernatural-IDSN0222797

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Crustosumn/aNAFischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Crustosumyeast extract sucrose agarn/ano