Results for:
Species: Stigmatella sp.

Methyl Benzoate

Mass-Spectra

Compound Details

Synonymous names
METHYL BENZOATE
93-58-3
Methylbenzoate
Benzoic acid, methyl ester
benzoic acid methyl ester
Clorius
Methyl benzenecarboxylate
Essence of niobe
Oxidate le
FEMA No. 2683
Methyl benzoate (natural)
Methylester kyseliny benzoove
NSC 9394
CCRIS 5851
HSDB 5283
EINECS 202-259-7
UNII-6618K1VJ9T
DTXSID5025572
CHEBI:72775
AI3-00525
CLORIUS-
6618K1VJ9T
NSC-9394
MFCD00008421
Methyl ester of benzoic acid
DTXCID405572
EC 202-259-7
CAS-93-58-3
UN2938
Methylester kyseliny benzoove [Czech]
Benzoato de metilo
methyloxycarbonylbenzene
benzoic acid methylester
Methyl benzoate, 99%
Methyl-benzenecarboxylate
Benzoic acid-methyl ester
WLN: 1OVR
SCHEMBL7200
METHYL BENZOATE [MI]
MLS001050185
CHEMBL16435
METHYL BENZOATE [FCC]
METHYL BENZOATE [FHFI]
METHYL BENZOATE [HSDB]
METHYL BENZOATE [INCI]
SCHEMBL4790973
SCHEMBL10330498
NSC9394
Methyl benzoate, >=99% (GC)
Methyl benzoate, analytical standard
Tox21_201832
Tox21_303198
BBL010502
STK021498
AKOS000120640
Methyl benzoate, >=98%, FCC, FG
AT34734
MCULE-3681534655
UN 2938
Methyl benzoate, for synthesis, 98.0%
NCGC00091665-01
NCGC00091665-02
NCGC00256939-01
NCGC00259381-01
BP-31073
SMR001216584
VS-02533
B0074
NS00012849
EN300-15500
Methyl benzoate, natural, >=98%, FCC, FG
C20645
A844641
Q417328
J-522592
Methyl benzoate [UN2938] [Keep away from food]
Z19825577
F0001-2239
InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H
Microorganism:

Yes

IUPAC namemethyl benzoate
SMILESCOC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
FormulaC8H8O2
PubChem ID7150
Molweight136.15
LogP2.1
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters
CHEBI-ID72775
Supernatural-IDSN0311624

mVOC Specific Details

Boiling Point
DegreeReference
199 °C peer reviewed
Volatilization
The Henry's Law constant for methyl benzoate is estimated as 3.24X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.38 mm Hg(1), and water solubility, 2.1X10+3 mg/L(2). This Henry's Law constant indicates that methyl benzoate is expected to volatilize from water surfaces(3). 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)(3) is estimated as 22 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)(3) is estimated as 14 days(SRC). Methyl benzoate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl benzoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.38 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds New York, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed. New York, NY: Wiley (1986) (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 adsorption of methyl benzoate was determined by a modified version of the OECD guideline 106, a batch equilibrium method, in three soils with different characteristics: an acid forest soil (Podzol), an agricultural soil (Alfisol), and a sediment. The respective Freundlich constants, Kf (1/n), for the three soils were 8.64 (0.81), 1.29 (0.85), and 1.51 (0.84)(1). Koc values for the Podzol, Alfisol and sediment were 178, 103, and 95, respectively(1). Methyl benzoate also has a reported log Koc value of 2.10 (Koc = 126)(2). Using a structure estimation method based on molecular connectivity indices(3), the Koc of methyl benzoate can be estimated to be 70(SRC). According to a classification scheme(3), methyl benzoate is expected to have moderate to high mobility in soil.
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.38 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANANawrath et al. 2012
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaStreptomyces Sp.antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean SeaGómez et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaSerendipita IndicaInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
EukaryotaSerendipita WilliamsiiInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
EukaryotaCladosporium Sp.nanaNaznin et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H11GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptomyces Sp.ISP2 (International Streptomyces Project) mediaGS-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisLB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaSerendipita IndicaPD agarPTR-TOF-MSyes
EukaryotaSerendipita WilliamsiiPD agarPTR-TOF-MSyes
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Sp.n/an/ano
EukaryotaPhellinus Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
EukaryotaPhialophora FastigiataDG18GC/MSno
EukaryotaCladosporium Sp.naSPME-GC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


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


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-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-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-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


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-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


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


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


5-decyloxolan-2-one

Compound Details

Synonymous names
gamma-tetradecalactone
5-decyloxolan-2-one
2721-23-5
2(3H)-Furanone, 5-decyldihydro-
.gamma.-tetradecalactone
4-tetradecanolide
94KTL4QE6P
5-decyldihydro-2(3h)-furanone
2(3H)-furanone,5-decyldihydro-
5-Decyl-dihydrofuran-2(3H)-one
NSC-33737
UNII-94KTL4QE6P
NSC33737
NSC 33737
SCHEMBL2078262
gamma-n-decyl-gamma-butyrolactone
DTXSID20863013
CHEBI:179347
LMFA07040051
(RS)-.GAMMA.-TETRADECALACTONE
(+/-)-4-N-DECYLBUTYROLACTONE
(+/-)-.GAMMA.-TETRADECALACTONE
FA(14:1)
.GAMMA.-DECYL-.GAMMA.-BUTYROLACTONE
.GAMMA.-TETRADECALACTONE, (+/-)-
DS-003324
NS00076564
Q27271690
Microorganism:

Yes

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
Molweight226.35
LogP4.9
Atoms16
Bonds9
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID179347
Supernatural-IDSN0005038

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano


Methyl 3-methylbut-2-enoate

Mass-Spectra

Compound Details

Synonymous names
924-50-5
Methyl 3-methyl-2-butenoate
Methyl 3,3-dimethylacrylate
methyl 3-methylbut-2-enoate
METHYL-3,3-DIMETHYLACRYLATE
2-Butenoic acid, 3-methyl-, methyl ester
3,3-Dimethylacrylic Acid Methyl Ester
3-Methyl-but-2-enoic acid methyl ester
Methyl senecioate
Crotonic acid, 3-methyl-, methyl ester
Methyl 3-methylcrotonate
methyl-3,3-dimethyl acrylate
methylsenecioate
EINECS 213-107-4
Methyl 3,3-dimethacrylate
3,3-DIMETHYL ACRYLIC ACID METHYL ESTER
EC 213-107-4
methyl,3,3-dimethylacrylate
6YS6J4URT3
Senecioic acid, methyl ester
ghl.PD_Mitscher_leg0.193
Methyl .beta.-methylcrotonate
methyl 3,3-dimethyl acrylate
SCHEMBL273328
CHEMBL299017
DTXSID1061283
Methyl 3-methylbut-2-enoate #
3-Methylcrotonic acid methyl ester
BCP10333
Methyl 3-methyl-2-butenoate, 97%
MFCD00043940
3-methylbut-2-enoic acid methyl ester
AKOS015851424
3-Methyl-2-butenoic acid methyl ester
CS-W013641
3-Methyl-2-butenoic acid, methyl ester
AS-14299
4-(4-Methylphenoxy)piperidinehydrochloride
DB-057304
M2052
NS00009235
EN300-73098
F11280
Q-201373
InChI=1/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H
Microorganism:

Yes

IUPAC namemethyl 3-methylbut-2-enoate
SMILESCC(=CC(=O)OC)C
InchiInChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
FormulaC6H10O2
PubChem ID13546
Molweight114.14
LogP1.6
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
Supernatural-IDSN0099568

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano


Methyl 2-methylbut-2-enoate

Compound Details

Synonymous names
methyl 2-methylbut-2-enoate
2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
(E)-methyl 2-methylbut-2-enoate
methyl (2Z)-2-methylbut-2-enoate
2-Butenoic acid, 2-methyl-, methyl ester, (2Z)-
DTXSID20863917
2-Methyl-2-butenoic acid methyl ester
DB-053406
DB-182395
NS00088633
Microorganism:

Yes

IUPAC namemethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC
InchiInChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3
FormulaC6H10O2
PubChem ID23104
Molweight114.14
LogP1.3
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
Supernatural-IDSN0463606

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Sp.n/an/ano


Methyl 9-methyldecanoate

Compound Details

Synonymous names
METHYL 9-METHYLDECANOATE
5129-55-5
Decanoic acid, 9-methyl-, methyl ester
Decanoic acid,9-methyl-,methyl ester
9-methyldecanoic acid methyl ester
methyl 9-methyl decanoate
CG246XB6HZ
SCHEMBL17188625
DTXSID50509477
Methyl isoundecanoate (i-11:0)
XUSHLLPSFVAOHS-UHFFFAOYSA-N
AM20120583
Microorganism:

Yes

IUPAC namemethyl 9-methyldecanoate
SMILESCC(C)CCCCCCCC(=O)OC
InchiInChI=1S/C12H24O2/c1-11(2)9-7-5-4-6-8-10-12(13)14-3/h11H,4-10H2,1-3H3
FormulaC12H24O2
PubChem ID12772143
Molweight200.32
LogP4.9
Atoms14
Bonds9
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano