Results for:
Species: Cyanobacterial biofilms

Octan-2-one

Mass-Spectra

Compound Details

Synonymous names
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
RRAHBRHPVGNOSF-UHFFFAOYSA-N
Octanone
sec-Octanone
Hexyl methyl ketone
Methyl hexyl ketone
Metyhl Hexyl Ketone
octanone-2
2-Oxooctane
2-OCTANONE
2-octanon
Methyl n-hexyl ketone
n-Hexyl methyl ketone
AC1L1Q8Z
AC1Q2VT2
AC1Q5CI1
2-Octanone, analytical standard
ACMC-1BZO5
octane-2-oxide
Octan-2-one
octan-7-one
KSC176M5B
I854
2- octanone
SCHEMBL43776
NSC5936
CHEMBL18549
NSC3712
J2G84H29AF
O0038
CTK0H6650
NE10661
n-C6H13COCH3
RP19810
UNII-J2G84H29AF
2-octanone(Methyl Hexyl Ketone)
HSDB 5545
NSC-3712
NSC 3712
BBL011429
NSC-5936
SBB060387
AK116913
LS-2999
LP003936
2-Octanone (natural)
Jsp000838
STL146536
DTXSID4021927
FEMA Number 2802
A802298
ZINC1672808
CHEBI:87434
KB-69438
CJ-06140
CJ-27197
DA-16705
TRA0044944
AJ-29261
ANW-16240
AN-22644
MFCD00009540
BB_SC-6900
ACN-S002377
ZINC01672808
LMFA12000054
BDBM50028815
TR-002225
ST51046577
ST24031492
RTR-002225
AI3-05617
AKOS005720775
J-002527
I14-5856
FT-0613243
FEMA No. 2802
BRN 0635843
EN300-20060
2-Octanone, reagent grade, 98%
2-Octanone, >=98%, FG
111-13-7
MCULE-1152821440
EINECS 203-837-1
2-Octanone, natural, 98%, FG
MolPort-001-787-588
4-01-00-03339 (Beilstein Handbook Reference)
InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H
Microorganism:

Yes

IUPAC nameoctan-2-one
SMILESCCCCCCC(=O)C
InchiInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
FormulaC8H16O
PubChem ID8093
Molweight128.215
LogP2.59
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Boiling Point
DegreeReference
173.5Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 737
Volatilization
The Henry's Law constant for 2-octanone was measured as 1.88X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-octanone 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 5 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 6 days(SRC). In water, 2-octanone had a measured volatilization flux of 40 g/min/sq m and a gas-film coefficient ratio of 0.554 at 20 deg C, indicating that volatilization from water does occur but that some attenuation of this process may be seen due to the gas-film interface(4). 2-Octanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Octanone is expected to volatilize from dry soil surfaces(SRC), based upon a vapor pressure of 1.35 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; in Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. NY,NY: Wiley-Interscience. 2: 352 (1986) (4) Rathbun RE, Tai DY; Chemosphere 13: 1009-23 (1984)
Soil Adsorption
The Koc of 2-octanone is estimated as 460(SRC), using a measured log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-octanone is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch L et al; p. 49 in Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
1.35 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 352
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
BacteriaCyanobacterial Biofilmsn/aSchulz and Dickschat, 2007
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaPhormidium Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber BorchiiNoneNoneYes
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumYes
BacteriaCyanobacterial Biofilmsn/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


Decan-2-one

Mass-Spectra

Compound Details

Synonymous names
ZAJNGDIORYACQU-UHFFFAOYSA-N
METHYL OCTYL KETONE
Octyl methyl ketone
2-Decanone
ACMC-1BHWZ
Methyl n-octyl ketone
2-Decanone, analytical standard
GX543OLT0R
AC1L209A
Decan-2-one
UNII-GX543OLT0R
0702AC
CHEMBL47127
D1643
CTK2F5116
SCHEMBL103053
n-C8H17COCH3
VZ34650
DTXSID9022104
LP068921
AK113875
CHEBI:77929
ZINC2031407
A836446
DSSTox_CID_2104
CC-10373
2-Decanone, >=98%
DSSTox_GSID_22104
AX8074268
ANW-35643
KB-23510
TRA0079707
AN-47237
LS-59391
TL8004852
ST2419217
SC-88897
BDBM50409665
2-Decanone, 98%
UNII-3Z25263NT0 component ZAJNGDIORYACQU-UHFFFAOYSA-N
LMFA12000044
C-03595
MFCD00009571
ST51056583
DB-003265
TR-023078
RTR-023078
S14-1005
AKOS009158912
FT-0612135
BRN 1747463
Tox21_303799
693-54-9
NCGC00357084-01
EINECS 211-752-6
2-Decanone, 97% 5g
CAS-693-54-9
MolPort-001-787-992
4-01-00-03367 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC namedecan-2-one
SMILESCCCCCCCCC(=O)C
InchiInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
FormulaC10H20O
PubChem ID12741
Molweight156.269
LogP3.47
Atoms31
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaCyanobacterial Biofilmsn/aSchulz and Dickschat, 2007
BacteriaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Cereus B-569LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCellulomonas Uda LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPhormidium Sp.n/an/a
BacteriaPseudomonas ChlororaphisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Entomophilia A1MO2LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Marcescens MG1LB, MS and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB, MS and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaCyanobacterial Biofilmsn/an/a
BacteriaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMS
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


Decan-3-one

Mass-Spectra

Compound Details

Synonymous names
XJLDYKIEURAVBW-UHFFFAOYSA-N
Ethyl heptyl ketone
3-DECANONE
Ethyl n-heptyl ketone
CBT4991PRJ
decan-3-one
AC1L220L
5762AF
UNII-CBT4991PRJ
OR6029
D1162
CTK3I7294
ACMC-209ri7
SCHEMBL105548
DTXSID2061303
SCHEMBL8643109
LP003039
CHEBI:87309
ZINC2040169
CC-14944
ANW-39917
AN-48008
3-Decanone, >=97%
ZX-AT010570
UNII-3Z25263NT0 component XJLDYKIEURAVBW-UHFFFAOYSA-N
MFCD00009554
LMFA12000156
C-03596
3-Decanone, 98%
KB-181973
RTR-038442
DB-057342
ST50410197
TR-038442
AKOS009157552
FT-0615582
I14-49872
928-80-3
3-Decanone, >=97%, FG
MCULE-3418685291
EINECS 213-183-9
Microorganism:

Yes

IUPAC namedecan-3-one
SMILESCCCCCCCC(=O)CC
InchiInChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
FormulaC10H20O
PubChem ID13576
Molweight156.269
LogP3.73
Atoms31
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaBurkholderia Ambifaria LMG 19182n/arkholderia ambifaria LMG 17828 from root and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/arkholderia ambifaria LMG 17828 from root and LMG 19467 from clinical.Groenhagen et al., 2013
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
BacteriaCyanobacterial Biofilmsn/aSchulz and Dickschat, 2007
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
FungiFomitopsis PinicolanaGC/MSNo
BacteriaCyanobacterial Biofilmsn/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a