Results for:
Species: Myxococcus xanthus

Phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl Hydrogen Phosphate

Compound Details

Synonymous names
all-trans Farnesyl pyrophosphate
FPP003
AC1L19U8
CTK4B6817
SCHEMBL109441
LP069167
CHEBI:50277
phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
IUPAC namephosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
SMILESCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InchiInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)
FormulaC15H28O7P2
PubChem ID706
Molweight382.33
LogP3.62
Atoms52
Bonds51
H-bond Acceptor5
H-bond Donor3
Chemical ClassificationTerpenes organophosphorus compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aNawrath et al., 2008
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolorn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Coelicolorn/an/a
BacteriaStreptomyces Spp.n/an/a


6-methylhept-5-en-2-one

Mass-Spectra

Compound Details

Synonymous names
Methylheptenone
UHEPJGULSIKKTP-UHFFFAOYSA-N
Sulcatone
0VT
AC1L1TZM
ACMC-1BRGW
Heptenone, methyl-
KSC495C6F
CHEMBL46340
CTK3J5162
X5960
M0252
SCHEMBL157735
NSC66569
NSC15294
ZINC896810
HSDB 5565
C07287
AK116810
Jsp000828
BBL027733
DTXSID5021629
LP088129
LS-2930
ZB015110
STK801685
OR025066
DSSTox_CID_1629
M-7412
CHEBI:16310
NSC-66569
DSSTox_GSID_21629
CJ-04497
TRA0077074
ST2412448
AN-23441
AN-22632
NSC-15294
NSC 15294
AJ-24254
LMFA12000039
ZINC00896810
MFCD00008905
DSSTox_RID_76244
BB_NC-0183
448353S93V
DB-040945
TR-002204
AI3-05639
KB-199571
RTR-002204
W-108682
AKOS006034959
BRN 1741705
FEMA No. 2707
FT-0621226
6-methylheptan-5-ene-2-one
UNII-448353S93V
2-Oxo-6-methylhept-5-ene
2-Methyl-6-oxo-2-heptene
6-Methyl-5-heptene-2-one
I14-17859
6-METHYL-5-HEPTEN-2-ONE
6-Methyl-5-Hepten-2-One Natural
6-Methylhept-5-en-2-one
Tox21_201381
Tox21_302899
2-Methyl-2-hepten-6-one
409-02-9
110-93-0
NCGC00256420-01
NCGC00258932-01
NCGC00249039-01
MCULE-3832720881
6-Methyl-5-hepten-2-one, analytical standard
CAS-110-93-0
EINECS 203-816-7
EINECS 206-990-2
6-methyl-hept-5-en-2-one
2-methyl-hept-2-en-6-one
6-Methyl hept-5-en-2-one
132958-67-9
129085-68-3
MolPort-001-788-424
5-HEPTEN-2-ONE, 6-METHYL-
6-Methyl-5-hepten-2-one (natural)
6-Methyl-5-hepten-2-one, 99%
4-01-00-03493 (Beilstein Handbook Reference)
6-Methyl-5-hepten-2-one, natural, >=98%, FCC
6-Methyl-5-hepten-2-one, >=98%, FCC, FG
6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC
IUPAC name6-methylhept-5-en-2-one
SMILESCC(=CCCC(=O)C)C
InchiInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
FormulaC8H14O
PubChem ID9862
Molweight126.199
LogP2.02
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAlkenes Ketones terpenes

mVOC Specific Details

Boiling Point
DegreeReference
173 DEG C @ 760 MM HGWeast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330
Solubility
INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaRivularia Sp.n/aSchulz and Dickschat, 2007
BacteriaTolypothrixn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCyanobacterian/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaTolypothrix Distortan/an/a
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiTrichodema PseudokoningiiMalt extractGC/MS
FungiTrichodema VirideMalt extractGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiGanoderma LucidumnaGC/MSNo
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaActinomycetes Spp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaPlectoneman/an/a
BacteriaTolypothrixn/an/a


4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Cincholepidine
gamma-Methylquinoline
Lepidine
MUDSDYNRBDKLGK-UHFFFAOYSA-N
p-Methylquinoline
Lepidene
Lepidin
4-METHYLQUINOLINE
p-methyl quinoline
AC1L1UVN
AC1Q2RAJ
4-Lepidine
ACMC-1AHYH
.gamma.-Methylquinoline
4-methyl quinoline
4-methyl-quinoline
quinol-4-ylmethane
CHEMBL9734
L758
KSC235Q6N
NSC3412
Lepidine (4-Methylquinoline)
SCHEMBL31559
Lepidine, 99%
CTK1D5866
L0024
STR06140
RP20851
4-Methylquinoline, >=99%
CCRIS 2894
HSDB 7153
A22510
A15593
Quinoline, 4-methyl-
HE000809
HE345242
DTXSID7047067
SBB058784
NSC-3412
PS-3771
NSC 3412
M-5284
ZINC1666750
CHEBI:48983
CJ-26989
SC-12713
SC-15612
ST2413199
LS-87752
AJ-29036
DSSTox_GSID_47067
AK-49826
AN-21392
KB-39726
ANW-30727
BR-49826
DSSTox_RID_82083
DSSTox_CID_27067
Lepidine (6CI,8CI)
3S211042
MFCD00006784
3S110963
ZINC01666750
TC-020151
AI3-24277
ST50823863
DB-013319
TX-017072
116169T3O8
AKOS000119150
J-515822
FT-0627792
UNII-116169T3O8
FT-0659357
FT-0083296
BRN 0110926
Z966690984
Tox21_301829
491-35-0
NCGC00184238-02
MCULE-8999201921
NCGC00184238-01
NCGC00256086-01
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
CAS-491-35-0
EINECS 207-734-2
Quinoline, 4-methyl- (9CI)
MolPort-001-781-554
3007-43-0 (hydrochloride)
5-20-07-00389 (Beilstein Handbook Reference)
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.189
LogP2.64
Atoms20
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBicyclo N-Compounds benzenoids pyridines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
261-263 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(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) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
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. 68 (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: 17-28 (1983) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


1-(2-aminophenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
orthoaminoacetophenone
2'aminoacetophenone
ortho-aminoacetophenone
O-AMINOACETOPHENONE
o-Aminoacetylbenzene
GTDQGKWDWVUKTI-UHFFFAOYSA-
GTDQGKWDWVUKTI-UHFFFAOYSA-N
2'-Aminoacetophenone
2'-Amonioacetophenone
o-Acetylaniline
2-acetylphenylamine
o-Amino acetophenone
VNJ
2-Acetylaniline
2'-Aminoacetophenone, analytical standard
o-Aminophenyl methyl ketone
1-acetyl-aminobenzene
2-(methylcarbonyl)benzeneamine
2'-Amino acetophenone
AC1Q1JXJ
5 kaal
6-acetyl-aniline
AC1L1WL5
AC1Q1JG5
KSC270G2N
1-Acetyl-2-aminobenzene
ACMC-209zid
NSC8820
PubChem21792
2'-Aminoacetophenone, >=98%
A0250
CTK1H0326
2'-Aminoacetophenone, 98%
Acetophenone, 2'-amino-
LS10731
RP20208
SCHEMBL309044
STR00923
1-(2'-aminophenyl)ethanone
HSDB 5494
ZINC164490
1-(2-Aminophenyl)ethanone
BBL011560
CHEMBL2251601
CS-D1191
DTXSID4052213
NSC 8820
NSC-8820
OR000728
OR113119
OR113120
OR252193
PS-4579
SBB058825
STL146696
SY001368
ZB008164
CHEBI:91110
M-5202
69Y77091BC
AC-25881
AJ-16178
AK-27106
AN-23660
ANW-50291
BP-21338
BR-27106
DSSTox_GSID_52213
ETHANONE,1-(AMINOPHENYL)-
SC-25871
TRA0069241
1-(2-Aminophenyl)ethanone #
BB_SC-9205
DSSTox_CID_30784
MFCD00007717
ZINC00164490
1-(2-aminophenyl)-ethanone
AI3-04095
AM20060473
DB-014028
ST24032157
ST51038535
TC-139036
UNII-69Y77091BC
AKOS000120944
J-507741
W-105581
Ethanone, 1-(aminophenyl)-
1-(2-amino-phenyl)-ethanone
Tox21_304027
1-(2-aminophenyl)ethane-1-one
551-93-9
1-(2-aminophenyl)-1-ethanone
1-(2-Aminophenyl)Ethan-1-One
Acetophenone, 2'-amino- (8CI)
MCULE-8977994715
NCGC00357236-01
CAS-551-93-9
EINECS 209-002-8
Ethanone, 1-(2-aminophenyl)-
27941-88-4
MolPort-000-145-929
25384-14-9 (hydrochloride)
InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
IUPAC name1-(2-aminophenyl)ethanone
SMILESCC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID11086
Molweight135.166
LogP1.35
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Ketones Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
BP 250-252 DEG C @ 760 MM HG (SOME DECOMP)Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALC
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Literature: #SOL IN ETHER
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-22
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaPseudomonas Aeruginosabreath biomarker for the detection of Ps.aeruginosa infections in the cystic fibrosis lungScott-Thomas et al., 2010
BacteriaPseudomonas Aeruginosa Spp.intermediate product in the biosynthesis of quinalozinesfrom respiratory specimensScott-Thomas et al., 2010
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaBurkholderia Ambifaria LMG 19467Groenhagen et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaPseudomonas AeruginosaColumbia sheep blood agarSPME/GC-MS
BacteriaPseudomonas Aeruginosa Spp.Sheep Blood agar; Columbia Sheep Blood agar; Mueller-Hinton agar; Luria Bertani agar; M9 Minimal Media broth; laboratory tap waterSPME-GC/MSYes
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt ExtractYes


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
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


Nonan-3-one

Mass-Spectra

Compound Details

Synonymous names
IYTXKIXETAELAV-UHFFFAOYSA-N
Ethyl hexyl ketone
AC1L1UTF
3-NONANONE
7-nonanone
Ethyl n-hexyl ketone
n-Hexyl ethyl ketone
3-Nonanone, analytical reference material
nonan-7-one
nonan-3-one
5652AC
ACMC-209rga
00C380UHNL
N0253
CTK2I0442
SCHEMBL104700
UNII-00C380UHNL
AK113878
DTXSID1061289
FR-0237
3-Nonanone (natural)
LP109809
OR011056
SBB007744
ZINC1850920
CJ-30554
KB-33026
ANW-39848
AN-22248
AJ-32075
ZINC01850920
3-Nonanone, 99%
LMFA12000053
MFCD00009541
DB-057312
TR-029028
AI3-36117
AKOS009158321
FEMA No. 3440
FT-0626191
Octanone, methyl- (9CI)
I14-50081
925-78-0
3-Nonanone, >96%, FG
EINECS 213-125-2
77110-38-4
3-Nonanone, natural (US), >=97%, FG
IUPAC namenonan-3-one
SMILESCCCCCCC(=O)CC
InchiInChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
FormulaC9H18O
PubChem ID61235
Molweight142.242
LogP3.29
Atoms28
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


Undecan-3-one

Mass-Spectra

Compound Details

Synonymous names
YNMZZHPSYMOGCI-UHFFFAOYSA-N
Ethyl octyl ketone
3-Undecanone
AC1Q5H8R
ETHYL n-OCTYL KETONE
AC1L2O8F
Undecan-3-one
U0029
CTK1A4561
ACMC-209ft6
SCHEMBL888107
NSC158429
LP001644
ZINC1605988
ACM2216877
SCHEMBL11024619
KB-33375
DTXSID20176695
CC-16023
ANW-24760
LMFA12000060
MFCD00009572
C-05300
NSC-158429
DB-045827
TC-113505
AKOS009158546
FT-0616425
I14-57001
2216-87-7
EINECS 218-700-1
IUPAC nameundecan-3-one
SMILESCCCCCCCCC(=O)CC
InchiInChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
FormulaC11H22O
PubChem ID75189
Molweight170.296
LogP4.17
Atoms34
Bonds33
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFomitopsis PinicolanaGC/MSNo
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


(methyltetrasulfanyl)methane

Compound Details

Synonymous names
methyldisulfanyldisulfanyl-methane
dimethyltetrasulfane
Dimethyl pertetrasulfide
Dimethyl tetrasulphide
Dimethyl tetrasulfide
(methyltetrasulfanyl)methane
NPNIZCVKXVRCHF-UHFFFAOYSA-N
Tetrasulfide, dimethyl
1,4-Dimethyltetrasulfane
1,4-Dimethyltetrasulfide
AC1L2Y8C
AC1Q7ED4
1,4-Dimethyltetrasulfane #
CTK1G9074
SCHEMBL565279
DTXSID0063997
OR287835
OR041598
AM806645
A831505
KB-50078
AN-19149
C-51300
I09-0133
AKOS006282487
5756-24-1
EINECS 227-278-8
85931-55-1
IUPAC name(methyltetrasulfanyl)methane
SMILESCSSSSC
InchiInChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
FormulaC2H6S4
PubChem ID79828
Molweight158.31
LogP2.54
Atoms12
Bonds11
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides thioethers sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaMyxococcus Xanthusn/an/a
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseusn/an/a
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaMyxobacterium Spp.n/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno


Undecan-3-ol

Mass-Spectra

Compound Details

Synonymous names
HCARCYFXWDRVBZ-UHFFFAOYSA-N
3-Undecanol
Undecanol-3
AC1Q77CO
AC1L40K0
Undecan-3-ol
CTK2F8355
U0028
ACMC-20mb12
ACMC-2097ka
SCHEMBL378964
LP002930
NSC158504
ANW-14072
C-52797
LMFA05000515
MFCD00046730
AI3-35681
NSC-158504
TC-102817
AKOS009159338
3-Undecanol, (R)-
6929-08-4
EINECS 230-054-2
107494-37-1
IUPAC nameundecan-3-ol
SMILESCCCCCCCCC(CC)O
InchiInChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3
FormulaC11H24O
PubChem ID98970
Molweight172.312
LogP3.97
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


Octan-3-one

Mass-Spectra

Compound Details

Synonymous names
methylheptanone
RHLVCLIPMVJYKS-UHFFFAOYSA-N
EAK
Ethyl pentyl ketone
Ethyl n-amylketone
Amyl ethyl ketone
Ethyl amyl ketone
AC1L6IPW
3-Octanone
3-Oxooctane
Ethyl n-pentyl ketone
1-ethyl hexanal
n-AMYL ETHYL KETONE
Ethyl n-amyl ketone
ACMC-1BU3I
SCHEMBL5593
3-Octanone, analytical standard
KSC176O3D
octan-6-one
Octan-3-one
n-Octanone-3
octane-3-one
UN2271
O0122
CTK0H6731
NSC60161
HSDB 5371
WLN: 5V2
CCRIS 8808
C17145
OR037461
Jsp000594
BBL011431
DTXSID3041954
LP029973
SBB060388
CHEMBL2269087
STL146538
LS-3000
3-Octanone (natural)
2-Heptanone, methyl-
ZINC1690036
A801482
CHEBI:80946
3-Octanone, >=98%
AN-22443
ANW-15422
TRA0051773
NSC 60161
CJ-06451
NSC-60161
DSSTox_GSID_41954
LMFA12000055
DSSTox_CID_21954
ZINC01690036
MFCD00009515
BB_SC-6904
DSSTox_RID_79883
TR-001329
AI3-36116
RTR-001329
KB-183852
ST51046578
AKOS005720776
J-001627
I14-4168
FEMA No. 2803
FT-0694662
FT-0616282
BRN 1700021
79173B4107
Tox21_301208
UNII-79173B4107
3-Octanone, >=98%, FG
106-68-3
NCGC00255105-01
NCGC00248338-01
MCULE-2012071553
EINECS 203-423-0
CAS-106-68-3
MolPort-001-769-802
Ethyl amyl ketone [UN2271] [Flammable liquid]
Ethyl amyl ketone [UN2271] [Flammable liquid]
IUPAC nameoctan-3-one
SMILESCCCCCC(=O)CC
InchiInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
FormulaC8H16O
PubChem ID246728
Molweight128.215
LogP2.84
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-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 11 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 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (2) 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 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (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: 17-28 (1983)
Vapor Pressure
PressureReference
2 mm Hg at 20 deg CLande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStreptomyces Ciscaucasicus W214potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Ciscaucasicus W47potentially involved in antifungal activityCordovez et al., 2015
FungiAgaricus Bisporus A15Sylvan, UKCombet et al. 2009
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2017
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiAspergillus SydowiinanaSteiner et al., 2007
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAspergillus VersicolornanaSteiner et al., 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiFusarium SpPierce et al. 1991
FungiFusarium SporotrichoidesSchnürer et al. 1999
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2024
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumMeruva et al., 2004
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium CommuneSchnürer et al. 1999
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
FungiVerticillium Longisporumn/aMueller et al., 2013
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStreptomyces Ciscaucasicus W214GA-mediumSPME/GC-MS
BacteriaStreptomyces Ciscaucasicus W47GA-mediumSPME/GC-MS
FungiAgaricus Bisporus A15comkposted wheat strawGC-MS / SPMEyes
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Flavusn/an/a
FungiAspergillus SydowiinaGC/MSNo
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiAspergillus VersicolornaGC/MSNo
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiFomes FomentariusGC-MS (SIM)yes
FungiFusarium SpGC-FIDyes
FungiFusarium Sporotrichoidesmalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Communemalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar8Tenax TA / TDGC-MSyes
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Uncinatumn/aSPME-GC-MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


(5E)-6,10-dimethylundeca-5,9-dien-2-one

Mass-Spectra

Compound Details

Synonymous names
Dihydropseudoionone
Dihydropseudoionon
Geranylacetone
trans-Geranylacetone
HNZUNIKWNYHEJJ-UHFFFAOYSA-N
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
E-geranylacetone
Geranyl acetone
E-geranyl acetone
AC1LU8LG
Geranyl-2-propanone
Geranylacetone, trans-
(E)-geranylacetone
OR6045
G0236
9B7RY79U9Z
SCHEMBL112856
SCHEMBL112855
.alpha.,.beta.-Dihydropseudoionone
UNII-9B7RY79U9Z
SBB001603
LP087100
DTXSID4052053
BC215970
BBL027735
AK114541
NSC406679
STK709221
ZINC1599359
A836300
CHEBI:67206
TL8006596
KB-85102
CJ-25699
CJ-05670
CC-28962
ST4049797
AX8131983
AN-21854
AJ-27939
LMFA11000696
MFCD00008910
ZX-AT020951
ZINC01599359
ZERO/001230
BB_NC-0303
LS-179607
NSC-406679
ST24029559
TR-022974
AKOS005522601
W-104645
FEMA No. 3542
FT-0688109
FT-0626654
I14-19509
689-67-8
I14-113754
3796-70-1
NCGC00249179-01
MCULE-9307860172
EINECS 223-269-8
EINECS 269-400-2
5, 6,10-dimethyl-
Undecadien-2-one, 6,10-dimethyl-
MolPort-001-769-753
6,10-dimethyl-5,9-undecadiene-2-one
6,10-Dimethyl-5,9-undecadien-2-one
6,10-Dimethylundeca-5,9-dien-2-one
2,6-dimethylundeca-2,6-dien-10-one
trans-6,10-Dimethyl-5,9-undecadien-2-one
6,10-Dimethyl-5(E),9-undecadien-2-one
2,6-Dimethyl-2,6-undecadien-2-one, trans-
6,10-Dimethyl-5,9-undecadien-2-one, trans-
(E)-6,10-Dimethyl-5,9-undecadien-2-one
6,10-dimethyl-(E)-5,9-undecadien-2-one
(E)-6,10-Dimethylundeca-5,9-dien-2-one
(5E)-6,10-dimethylundeca-5,9-dien-2-one
(5E)-6,10-dimethyl-2-undeca-5,9-dienone
(5E)-6,10-dimethyl-5,9-undecen-2-one
6,10-Dimethyl-5,9-undecadien-2-one, (E)-
6,10-Dimethyl-5,9-undecadien-2-one, >=97%, stabilized, FG
5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-
5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-
Geranylacetone, (E)+(Z), 97%, (Z)-isomer (nerylacetone) ca 45%
IUPAC name(5E)-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=CCCC(=CCCC(=O)C)C)C
InchiInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
FormulaC13H22O
PubChem ID1549778
Molweight194.318
LogP3.68
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
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 MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiTrichoderma VirideHung et al., 2013
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
FungiTuber BorchiiNoneNoneYes
FungiTuber MelanosporumNoneNoneYes
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo


(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene

Compound Details

Synonymous names
GAIBLDCXCZKKJE-QRYCCKSOSA-N
Germacrene D
AC1NSVTC
V2I9ATG34E
UNII-V2I9ATG34E
C16142
CHEBI:49044
ZINC30730221
(-)-Germacrene D
23986-74-5
(-)-(S)-germacrene D
(-)-(7S)-germacrene-D
1(10),4(14),5-Germacratriene
(1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
(1E,5E)-germacra-1(10),4(15),5-triene
(1E,6E,8S)-1-methyl-8-(1-methylethyl)-5-methylidenecyclodeca-1,6-diene
(1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, (S-(E,E))-
IUPAC name(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
SMILESCC1=CCCC(=C)C=CC(CC1)C(C)C
InchiInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
FormulaC15H24
PubChem ID5317570
Molweight204.357
LogP4.92
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aDickschat et al., 2005_6
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2030
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Citreusn/an/a
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


2-[(3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

Compound Details

Synonymous names
AC1NSLIA
2-[(3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
IUPAC name2-[(3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
SMILESCC1=CCCC(=CCC(CC1)C(C)(C)O)C
InchiInChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-
FormulaC15H26O
PubChem ID5365392
Molweight222.372
LogP3.83
Atoms42
Bonds42
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Terpenes Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a


(3S)-decan-3-ol

Compound Details

Synonymous names
ICEQLCZWZXUUIJ-JTQLQIEISA-N
UNII-WTY84QBP4T component ICEQLCZWZXUUIJ-JTQLQIEISA-N
CTK0F8808
LP032984
ZINC2164190
SCHEMBL14472843
(S)-decan-3-ol
(3S)-DECAN-3-OL
3-Decanol, (S)-
120523-17-3
[S,(+)]-3-Decanol
IUPAC name(3S)-decan-3-ol
SMILESCCCCCCCC(CC)O
InchiInChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
FormulaC10H22O
PubChem ID10654501
Molweight158.285
LogP3.52
Atoms33
Bonds32
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


(1R,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene

Compound Details

Synonymous names
Isolepidozene
IUPAC name(1R,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene
SMILESCC1=CCCC(=CC2C(C2(C)C)CC1)C
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14-/m1/s1
FormulaC15H24
PubChem ID13894538
Molweight204.357
LogP4.46
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a


(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

Synonymous names
JLPUXFOGCDVKGO-TUAOUCFPSA-N
GEOSMIN
AC1L1I2Q
MYW912WXJ4
UNII-MYW912WXJ4
SCHEMBL50009
C16286
OR238484
4,8a-Dimethyl-decahydronaphthalen-4a-ol
OR031361
4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol
CHEMBL2374043
CHEBI:46702
ZINC3870304
(-)-geosmin
LS-95000
trans-1,10-dimethyl-trans-decalol
Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol
AKOS006282977
trans-1,10-Dimethyl-trans-9-decalol
4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #
Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
NCGC00165950-01
EINECS 243-239-8
19700-21-1
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-
(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl- (8CI)
(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol
4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-
(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-
IUPAC name(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESCC1CCCC2(C1(CCCC2)O)C
InchiInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
FormulaC12H22O
PubChem ID29746
Molweight182.307
LogP3.17
Atoms35
Bonds36
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Bicyclo Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aDickschat et al., 2007
BacteriaCyanobacterian/aDickschat et al., 2007
BacteriaMyxobacterium Spp.n/aDickschat et al., 2007
BacteriaMyxococcus Xanthusn/aNawrath et al., 2008
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Griseusn/aNawrath et al., 2008
BacteriaStreptomyces Spp.n/aDickschat et al., 2007
BacteriaActinobacteria Sp.n/aStahl and Parkin, 1976
BacteriaAnabaena Sp.n/aSchulz and Dickschat, 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaLyngbyan/aSchulz and Dickschat, 2007
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedensn/aSchulz and Dickschat, 2007
BacteriaOscillatoria Sp.n/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus IMRU 3491nanaGerber and Lechavelier, 1967
BacteriaStreptomyces Antibioticus IMRU 3720nanaGerber and Lechavelier, 1966
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolorn/aDickschat et al., 2005
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Fradiae IMRU 3535nanaGerber and Lechavelier, 1968
BacteriaStreptomyces Fradiae IMRU 3535-R7nanaGerber and Lechavelier, 1969
BacteriaStreptomyces Griseusn/aDickschat et al., 2005
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus LP-16nanaGerber and Lechavelier, 1965
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Odorifer IMRU 3334nanaGerber and Lechavelier, 1970
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Sulfureusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
FungiArmillaria Mellean/aMueller et al., 2013
Fungi Aspergillus NigerPriegnitz et al. 2015
Fungi Chaetomium GlobosumKikuchi et al. 1983
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium DiscolorSchnürer et al. 1999
FungiPenicillium Expansumn/aMattheis and Roberts, 1992
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium Sp.Larsen and Frisvad 1995
FungiPholiota Squarrosan/aMueller et al., 2013
Fungi Streptomyces GriseusGerber and Lechevalier 1965
FungiVerticillium Longisporumn/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Griseusn/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaActinobacteria Sp.n/an/a
BacteriaAnabaena Sp.n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaLyngbyan/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaNannocystis Exedensn/an/a
BacteriaOscillatoria Sp.n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albusn/an/a
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticusn/an/a
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus IMRU 3491PablumGC
BacteriaStreptomyces Antibioticus IMRU 3720SBM/Pablum GC
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Coelicolorn/an/a
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Fradiae IMRU 3535PablumGC
BacteriaStreptomyces Fradiae IMRU 3535-R7SBM Pablum GC
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus LP-16YD + CaCO3/SBM/Pablum GC
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Odorifer IMRU 3334YD + CaCO3/SBM/Pablum GC
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sulfureusn/an/a
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Aspergillus Nigerno
Fungi Chaetomium Globosumno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium Discolormalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Expansumn/an/a
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sp.no
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Streptomyces Griseusno
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol

Compound Details

Synonymous names
Germacradienol
ZVZPKUXZGROCDB-BRNABIDRSA-N
C16143
CHEBI:46734
CHEBI:80351
ZINC30730225
LMPR0103090009
(1E,5E)-Germacra-1(10),5-diene-11-ol
(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol
2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
IUPAC name2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
SMILESCC1CCC=C(CCC(C=C1)C(C)(C)O)C
InchiInChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1
FormulaC15H26O
PubChem ID16667385
Molweight222.372
LogP3.88
Atoms42
Bonds42
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alkenes Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolorn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aNawrath et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Coelicolorn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a


9-methyldecan-3-one

Compound Details

Synonymous names
UMUMYGFFTAWUQZ-UHFFFAOYSA-N
9-methyldecan-3-one
SCHEMBL4054427
AKOS020775785
IUPAC name9-methyldecan-3-one
SMILESCCC(=O)CCCCCC(C)C
InchiInChI=1S/C11H22O/c1-4-11(12)9-7-5-6-8-10(2)3/h10H,4-9H2,1-3H3
FormulaC11H22O
PubChem ID21278276
Molweight170.296
LogP4.02
Atoms34
Bonds33
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


Compound Details

Synonymous names
GVNZAPCZQSDLGP-NSHDSACASA-N
(s)-9-methyldecan-3-ol
IUPAC name
SMILES
Inchi
Formula
PubChem ID91749694
Molweight172.312
LogP3.81
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a