Results for:
Species: Calothrix spp.

Octadecyl Octadecanoate

Mass-Spectra

Compound Details

Synonymous names
octadecanyl octadecanoate
STEARYLSTEARATE
Octadecyl Octadecanoate
NKBWPOSQERPBFI-UHFFFAOYSA-N
Octadecyl stearate
STEARYL STEARATE
Liponate SS
1-Octadecyl octadecanoate
Cyclochem SS
Ritachol SS
Stearyl stearate, analytical standard
Stearic acid stearyl ester
AC1L2AJK
Octadecanoyic acid, octadecyl ester
Octadecanoic acid, octadecyl ester
Lexol SS
5WX2EGD0DK
Stearic acid, octadecyl ester
UNII-5WX2EGD0DK
Stearic acid, stearyl ester
Hetester 412
UNII-D072FFP9GU component NKBWPOSQERPBFI-UHFFFAOYSA-N
SCHEMBL42773
Stearyl stearate, ~99%
CTK1A2870
Emalex CC-18
Loxiol G 30
UNII-9T97Q8P3CK component NKBWPOSQERPBFI-UHFFFAOYSA-N
DTXSID5062639
UNII-58B69Q84JO component NKBWPOSQERPBFI-UHFFFAOYSA-N
LP083524
AN-20153
ACM2778963
MFCD00056225
LMFA07010054
C-44027
ZINC59657416
FE 78-18
DB-047278
ST50410927
J-016884
AKOS024438267
FT-0634483
I14-62637
MCULE-2765770301
8039-01-8
2778-96-3
EINECS 220-476-5
Stearyl stearate, >=98.0% (GC)
O(2)O notEaE(R) degrees Eo yen
69899-62-3
133976-56-4
MolPort-003-918-236
WE(18:0/18:0)
IUPAC nameoctadecyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InchiInChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
FormulaC36H72O2
PubChem ID335
Molweight108.14
LogP2.18
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPenicillium Brevicompactumcompost Fischer et al. 2057
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
BacteriaCalothrix Spp.n/an/a
FungiPenicillium Commune PittMEAGC/MS


3-methyl-1H-indole

Mass-Spectra

Compound Details

Synonymous names
beta-Methylindole
ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Scatole
Skatol
Skatole
b-Methylindole
tryptophan side-chain
3-METHYLINDOLE
3-Metlylindole
AC1Q1HQS
3-Methylindole, analytical standard
.beta.-Methylindole
3-methyl indole
AC1L1N6V
methyl-3-indole
3-MI
ACMC-1BL1R
PubChem7505
SCHEMBL5396
KSC448I8N
AM1199
Skatole, >=98%
ZLC0090
zlchem 272
CTK3E8486
HMDB00466
M0347
3-methylindole (skatole)
ACT03544
AN-767
RP19970
3-methyl-1H-indol
3-Methyl-1H-indole
9W945B5H7R
A15835
bmse000516
C08313
CCRIS 8961
CHEBI:9171
HMS2233B05
HMS3371O13
HSDB 3511
ZINC897468
CG-0502
CHEMBL1329793
DTXSID8021775
HE000558
LS-3093
NSC122024
SBB055975
STK033388
ZB015145
3-Methylindole, 98%
DSSTox_CID_1775
Indole, 3-methyl-
M-3898
S-1349
UNII-9W945B5H7R
3-Methyl-4,5-benzopyrrole
AC-13010
AJ-24279
AK-68243
ANW-37674
BR-68243
CJ-04509
DSSTox_GSID_21775
KB-32829
LS-83248
SC-06903
TL8005477
DSSTox_RID_76320
MFCD00005627
ZINC00897468
AI3-24372
CCG-214598
CS-W007355
KB-236492
NSC 122024
NSC-122024
RTC-020189
ST24028575
ST45021440
TC-020189
AKOS005254880
I01-2935
FEMA No. 3019
FT-0616165
MLS001332537
MLS001332538
SMR000677925
TRA-0175731
1H-Indole, 3-methyl-
83-34-1
WLN: T56 BMJ D1
Tox21_112537
Z1245537978
3-Methylindole, 99% 5g
CAS-83-34-1
MCULE-8593828076
NCGC00167540-01
NCGC00167540-03
EINECS 201-471-7
Tox21_112537_1
MolPort-001-759-337
AP-065/40182778
InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H
IUPAC name3-methyl-1H-indole
SMILESCC1=CNC2=CC=CC=C12
InchiInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
FormulaC9H9N
PubChem ID6736
Molweight131.178
LogP2.59
Atoms19
Bonds20
H-bond Acceptor0
H-bond Donor1
Chemical ClassificationIndole indoles nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
265-266 DEG C @ 755 MM HGBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1468
Volatilization
The Henry's Law constant for 3-methylindole is estimated as 2.1X10-6 atm-cu m/mole(SRC) from its extrapolated value for vapor pressure, 0.005 mm Hg(1), and experimental water solubility, 498 mg/l(2). This value indicates that 3-methylindole will volatilize from water surfaces(3,SRC). 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) is estimated as approximately 20 days(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 148 days(3,SRC). 3-Methylindole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces will not be important(SRC).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. NY,NY: Mcgraw-Hill 6th ed (1984) (2) Pearlman RS et al; J Chem ref Data 13: 555-562 (1984) (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 3-methylindole is estimated as approximately 600(SRC), using an experimental log Kow of 2.60(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 3-methylindole has low mobility in soil(SRC). The value of Koc may be influenced by the pH of the soil for this compound due to the basic nature of the amine group(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (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
0.0055 mm HgPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.It induces the formation of myxospores in Stigmatella aurantiaca.Schulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a


Cyclohexanone

Mass-Spectra

Compound Details

Synonymous names
Cyclohexanone homopolymer
cyclohexanone,homopolymer
Ketohexamethylene
POLYCYCLOHEXANONE
ketocyclohexane
oxocyclohexane
Cicloesanone
Cyclohexanon
CYCLOHEXANONE
cyclohexyloxy
Cykloheksanon
Cyclohexanone, homopolymer
Cyclohexyl ketone
JHIVVAPYMSGYDF-UHFFFAOYSA-N
Cyclohexanone, analytical standard
hexanoe
Hexanon
Hytrolo
Nadone
Sextone
Anon
Anone
Cyclic ketone
Pimelic ketone
Pimelin ketone
CYH
resins, cyclohexanone
2-cyclohexanone
BDBM6
Cyclohexanon(dutch)
CYCLOHEXANONE, ACS
AC1L1PYR
AC1Q6ENS
Hydrol-e
Hytrol O
Cyclohexanone (Industrial Grade)
Cicloesanone [Italian]
Cykloheksanon [Polish]
cyclohexan-1-one
Cyclohexanon [Dutch]
ACMC-1BP9A
Cyclohexanone - Reagent Grade ACS
KSC491S9H
CHEMBL18850
Cyclohexanone-1-13C
NSC5711
UN1915
WLN: L6VTJ
5QOR3YM052
CTK3J1993
HMDB03315
HSDB 186
Y1320
BIDD:ER0292
DB02060
LS-475
RL00382
bmse000405
C00414
CCRIS 5897
DSSTox_CID_359
HMS3039C04
RCRA waste number U057
UNII-5QOR3YM052
BC214118
Cyclohexanone, 99.8%
Cyclohexanone, LR, >=99%
DTXSID6020359
HE341618
NSC 5711
NSC-5711
OR034252
OR201448
OR369125
SBB060074
UN 1915
CHEBI:17854
CYCLOHEXYL, 2-OXO-
NCI-C55005
ZINC4528575
AN-19440
AN-42917
ANW-15994
CJ-12122
DSSTox_GSID_20359
TRA0078638
Caswell No. 270
DSSTox_RID_75537
MFCD00001625
ZINC04528575
AI3-00041
DB-059799
RTR-002012
ST50214418
TR-002012
AKOS000119815
EPA Pesticide Chemical Code 025902
I01-1194
J-520160
RCRA waste no. U057
Cyclohexanone, ACS reagent, >=99.0%
Cyclohexanone, AR, >=99.5%
FT-0624193
MLS002152896
SMR001224507
Cyclohexanone, 99% 100ml
I14-20861
I14-53082
Z955123528
Cyclohexanone, JIS special grade, >=99.0%
Cyclohexanone, Selectophore(TM), >=99.5%
Tox21_202121
Tox21_302750
108-94-1
Cyclohexanone, SAJ first grade, >=98.0%
Cyclohexanone, Vetec(TM) reagent grade, 98%
F0001-0185
Cyclohexanone [UN1915] [Flammable liquid]
Cyclohexanone, ReagentPlus(R), 99.8%
9003-41-2
9075-99-4
MCULE-5664385838
NCGC00091786-01
NCGC00091786-02
NCGC00256489-01
NCGC00259670-01
CAS-108-94-1
EINECS 203-631-1
11119-77-0
Cyclohexanone [UN1915] [Flammable liquid]
Cyclohexanone, p.a., 99.0%
2628-EP2269986A1
2628-EP2269990A1
2628-EP2269995A1
2628-EP2270113A1
2628-EP2272817A1
2628-EP2272825A2
2628-EP2272832A1
2628-EP2272849A1
2628-EP2272935A1
2628-EP2274983A1
2628-EP2275403A1
2628-EP2275407A1
2628-EP2275411A2
2628-EP2275469A1
2628-EP2277878A1
2628-EP2280005A1
2628-EP2280009A1
2628-EP2281810A1
2628-EP2281812A1
2628-EP2284148A1
2628-EP2284165A1
2628-EP2286915A2
2628-EP2287153A1
2628-EP2287159A1
2628-EP2287940A1
2628-EP2289868A1
2628-EP2289884A1
2628-EP2289893A1
2628-EP2289897A1
2628-EP2289965A1
2628-EP2292592A1
2628-EP2292593A2
2628-EP2292599A1
2628-EP2292606A1
2628-EP2295407A1
2628-EP2295438A1
2628-EP2298736A1
2628-EP2298763A1
2628-EP2298767A1
2628-EP2298828A1
2628-EP2299326A1
2628-EP2301918A1
2628-EP2301919A1
2628-EP2301924A1
2628-EP2301983A1
2628-EP2302003A1
2628-EP2305655A2
2628-EP2305658A1
2628-EP2305668A1
2628-EP2308838A1
2628-EP2308848A1
2628-EP2308851A1
2628-EP2308857A1
2628-EP2308858A1
2628-EP2308883A1
2628-EP2308926A1
2628-EP2309564A1
2628-EP2311807A1
2628-EP2311815A1
2628-EP2311816A1
2628-EP2311817A1
2628-EP2314558A1
2628-EP2314583A1
2628-EP2316824A1
2628-EP2316832A1
2628-EP2316833A1
2628-EP2316836A1
2628-EP2371805A1
2628-EP2377845A1
MolPort-000-871-993
22788-EP2270011A1
22788-EP2272517A1
22788-EP2272817A1
22788-EP2272822A1
22788-EP2272832A1
22788-EP2272935A1
22788-EP2275398A1
22788-EP2275401A1
22788-EP2275409A1
22788-EP2275469A1
22788-EP2277867A2
22788-EP2280003A2
22788-EP2280009A1
22788-EP2280010A2
22788-EP2281817A1
22788-EP2287940A1
22788-EP2289887A2
22788-EP2289888A2
22788-EP2289895A1
22788-EP2289965A1
22788-EP2292592A1
22788-EP2292597A1
22788-EP2292606A1
22788-EP2292611A1
22788-EP2295414A1
22788-EP2295421A1
22788-EP2295422A2
22788-EP2295436A1
22788-EP2298731A1
22788-EP2298746A1
22788-EP2298750A1
22788-EP2298767A1
22788-EP2298772A1
22788-EP2298774A1
22788-EP2298828A1
22788-EP2301921A1
22788-EP2301926A1
22788-EP2301983A1
22788-EP2305250A1
22788-EP2305633A1
22788-EP2305651A1
22788-EP2308510A1
22788-EP2308562A2
22788-EP2308839A1
22788-EP2308854A1
22788-EP2311810A1
22788-EP2313397A1
22788-EP2313398A1
22788-EP2314575A1
22788-EP2314583A1
22788-EP2314587A1
22788-EP2315502A1
22788-EP2371810A1
78030-EP2272846A1
78030-EP2275422A1
78030-EP2277868A1
78030-EP2277869A1
78030-EP2277870A1
78030-EP2287158A1
78030-EP2292608A1
78030-EP2298076A1
78030-EP2298077A1
78030-EP2298762A2
78030-EP2301353A1
78030-EP2305031A1
78030-EP2305033A1
78030-EP2305034A1
78030-EP2305035A1
78030-EP2308866A1
78030-EP2371823A1
78030-EP2374791A1
Cyclohexanone, puriss., >=99.5% (GC)
cyclohexanon, homopolymer (mittlere molmasse 415-750 g/mol)
Cyclohexanone, puriss. p.a., >=99.5% (GC)
InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H
IUPAC namecyclohexanone
SMILESC1CCC(=O)CC1
InchiInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
FormulaC6H10O
PubChem ID7967
Molweight98.145
LogP1.49
Atoms17
Bonds17
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details

Volatilization
The Henry's Law constant for cyclohexanone, 9.00X10-6 atm-cu m/mol at 25 degC(1), may be used to estimated the volatilization half-lives of cyclohexanone from a model river and lake. Its half-life in a 1 m deep model river with a 1 m/s current and 3 m/s wind is 4.1 days(2). Its half-life in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 33 days. In view of cyclohexanone's moderate vapor pressure, 4.33 mm Hg at 25 degC(3), and low soil adsorptivity, it would be expected to volatilize from surface layers of soil(2).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 992-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co pp. 15-15 to 15-29 (1982) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. NY,NY: Hemisphere Publ. Corp. 4 Vol (1989)
Soil Adsorption
The Koc for cyclohexanone estimated using structure activity relationships (SAR) is 15(1). A Koc of 17 can be estimated from the water solubility, 23,000 mg/L(2), using a recommended regression equation(3). According to a suggested classification scheme(4), these Koc values indicate that cyclohexanone will be highly mobile in soil.
Literature: (1) Meylan WM, Howard PH; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents, 4th ed pp. 344-5. NY,NY: Wiley (1986) (3) Lyman WJet al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5 mm Hg at 26.4 deg CThe Merck Index. 10th ed. Rahway, New Jersey: Merck Co., Inc., 1983., p. 391
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aHoeckelmann and Juettner, 2004
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPlectonema Sp.n/aHoeckelmann and Juettner, 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPlectonema Sp.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


2,6,6-trimethylcyclohexene-1-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names
CYCLOCITRAL
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
beta-Cyclocitral
b-cyclocitral
beta-Cyclocitral, analytical standard
AC1Q2EVL
2,6,6-Trimethylcyclohexenecarbaldehyde
alpha(beta)-Cyclocitral
AC1Q6A3S
AC1L1U2D
.beta.-Cyclocitral
UNII-GLL5338RMI component MOQGCGNUWBPGTQ-UHFFFAOYSA-N
beta-Cyclocitral, >=95%
SCHEMBL309759
C20425
77Y0U2X29G
OR270685
CHEMBL1952257
DTXSID7047142
OR278840
2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde
ACM432257
OR021847
ZINC5766948
CHEBI:53177
UNII-77Y0U2X29G
2,6,6-trimethylcyclohex-1-enecarbaldehyde
2,6,6-Trimethylcyclohexene-1-carbaldehyde
Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-
KB-47960
AN-23446
FCH1119403
DSSTox_GSID_47142
SC-21217
DSSTox_CID_27142
C-54900
DSSTox_RID_82149
MFCD00079078
ST50824363
2,6,6-trimethyl-cyclohexene-1-carboxaldehyde
ACM52844210
AI3-37227
W-202757
2,6,6-trimethyl-cyclohexene-1-carbaldehyde
AKOS022504751
FT-0665336
Tox21_302524
432-25-7
3B1-005322
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE
MCULE-7819289735
NCGC00256741-01
2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde
2,6,6-Trimethyl-1-cyclohexen-1-carboxaldehyde
EINECS 258-219-4
EINECS 207-081-3
CAS-432-25-7
1-Formyl-2,6,6-trimethyl-1-cyclohexene
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde #
MolPort-001-794-308
1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H
IUPAC name2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C(CCC1)(C)C)C=O
InchiInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
FormulaC10H16O
PubChem ID9895
Molweight152.237
LogP2.41
Atoms27
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Aldehydes Alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a


2,2,6-trimethylcyclohexan-1-one

Mass-Spectra

Compound Details

Synonymous names
cistus cyclohexanone
ZPVOLGVTNLDBFI-UHFFFAOYSA-N
2,6-Trimethylcyclohexanone
ACMC-1CUOV
AC1L294H
2,6,6-Trimethylcyclohexanone
2,2,6-TRIMETHYLCYCLOHEXANONE
CTK4F2894
ACMC-20m9i1
Cyclohexanone,2,6-trimethyl-
ACMC-20m9i2
SCHEMBL107630
NSC401659
1,3-Trimethyl-2-cyclohexanone
2,6-Trimethylcyclohexan-1-one
OR014795
2,2,6-Trimethyl cyclohexanone
OR198271
2,2,6-trimethyl-cyclohexanone
ACM2408379
AN-20794
KB-16267
FCH1118039
C-50152
MFCD00045550
Cyclohexanone,2,2,6-trimethyl-
TC-171506
NSC-401659
NSC 401659
DB-046342
ST50823719
J-015344
AKOS015903247
2,2,6-Trimethylcyclohexan-1-one
2,6,6-Trimethylcyclohexan-1-one
FEMA No. 3473
FT-0634253
1,1,3-Trimethyl-2-cyclohexanone
I14-18622
I14-21011
Cyclohexanone, 2,2,6-trimethyl-
2,2,6-trimethyl-cyclohexan-1-one
2408-37-9
EINECS 219-309-9
62861-88-5
106033-56-1
106036-02-6
2,2,6-Trimethylcyclohexanone, 97% 1g
Cyclohexanone, 2,2,6-trimethyl-, (R)-
Cyclohexanone, 2,2,6-trimethyl-, (S)-
InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H
IUPAC name2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C1=O)(C)C
InchiInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
FormulaC9H16O
PubChem ID17000
Molweight140.226
LogP3.13
Atoms26
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPlectoneman/an/a


6-methylhept-5-en-2-ol

Mass-Spectra

Compound Details

Synonymous names
Sulcatol
OHEFFKYYKJVVOX-UHFFFAOYSA-N
METHYL HEPTENOL
AC1L2GWR
ACMC-20apkw
ACMC-20apg8
(R)-Sulcatol
CTK3J6668
SCHEMBL195482
NSC66273
C07288
SBB008067
LP004049
DTXSID8051754
FR-0834
CHEBI:15833
DSSTox_GSID_51754
NSC 66273
NSC-66273
AN-19739
DSSTox_CID_30309
LMFA05000566
MFCD00004561
KB-199570
DB-064153
RTR-006586
TR-006586
AI3-25074
AKOS008996527
6-Hydroxy-2-methyl-2-heptene
J-009359
I14-40823
I14-51311
I14-63553
6-Methylhept-5-en-2-ol
Tox21_303934
2-Methyl-2-hepten-6-ol
6-METHYL-5-HEPTEN-2-OL
6-methyl-5-hepten-2-o
1569-60-4
dl-6-Methyl-5-hepten-2-ol
4630-06-2
NCGC00357173-01
6-methyl-hept-5-en-2-ol
EINECS 216-377-1
CAS-1569-60-4
5-Hepten-2-ol, 6-methyl-
6-methylhept-5-en-2-ol (sulcatol)
(n)-6-methyl-5-hepten-2-ol
6-Methyl-5-hepten-2-ol, 99%
(R)-6-Methyl-5-hepten-2-ol
6-methyl-5-hepten-2-ol 99+%
6-Methyl-5-hepten-2-ol, >=99%, FG
(+/-)-6-Methyl-5-Hepten-2-ol
(.+/-.)-6-Methyl-5-hepten-2-ol
6 - Methyl - 5 - hepten - 2 - ol
IUPAC name6-methylhept-5-en-2-ol
SMILESCC(CCC=C(C)C)O
InchiInChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
FormulaC8H16O
PubChem ID20745
Molweight128.215
LogP1.99
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols terpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPlectoneman/an/a


1-methyl-4-prop-1-en-2-ylcyclohexene

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpene hydrocarbons
Polydipentene
Polylimonene
Polymerized dipentene
Absolute petitgrain
Cajeputene
Terpodiene
Achilles dipentene
Cajeputen
Dipenten
Dipentene
Dipentene polymer
Inactive limonene
Kautschin
LIMONENE
Methyl-4-isopropenylcyclohexene
XMGQYMWWDOXHJM-UHFFFAOYSA-N
Cinene
Dipanol
Eulimen
Limonen
Limonene polymer
Petitgrain citronnier oil
Unitene
Absolue orange flower decoloree
Absolute orange flowers
alpha-Limonene
beta-Limonene
Ciene
Cinen
Cyclil decene
Flavor orange
Lemon extract
Lemon tincture
Nesol
Orange flavor
Orange flower absolute
Orange oil concentrate
Petitgrain bigarade sur fleurs d'oranger
Absolue orange flower
Acintene DP
Acintene DP dipentene
Citrus limon extract
DL-Limonene
Goldflush II
Lemon oil concentrate
Lemon petitgrain oil
a-limonene
Cedro oil
Citrus sinensis oil
LEMON OIL
Lemon petigrain oil
Neroli oil
Orange flower water absolute
Orange oil
AC1Q2ODZ
Citrus limon oil
Dipentene, crude
Extract of lemon
Oil sweet orange
Orange flower oil
Sweet orange oil
1-Methyl-4-isopropenylcyclohexene
4-Isopropenyl-1-methylcyclohexene
Absolue orange flower from water
Citrus sinensis peel oil
Orange leaf oil
Terpenes and Terpenoids, limonene fraction
d,l-Limonene
Oil of lemon
OIL OF ORANGE
Oils, orange
Orange oil, distilled
AC1L2K5B
AC1Q1J4Q
AC1Q1J4R
Dipentene, mixture of isomers
Lemon oil, distilled
Neroli oil, pommade
Oil of sweet orange
Oils, citrus limonia
Oils, lemon
Sweet orange oil, terpeneless
DL-4-Isopropenyl-1-methylcyclohexene
ESSENCE DE PIN PF
Lemon oil, Guinea
Lemon oil, Italian
NSC844
Orange oil, sweet
Orange sweet oil, expressed
.alpha.-Limonene
4-isopropenyl-1-methyl-cyclohexene
Dipentene 200
Dipentene, tech.
Methyl-4-isopropenyl-1-cyclohexene
Neat oil of sweet orange
C10H16
CHEMBL15799
DIPENTENE 38 PF
Limonene, dl-
Orange peel oil, sweet
Racemic: DL-limonene; dipentene
UN2052
(?)-Limonene
c0626
CCRIS 683
Citrus medica var. limonum oil
CTK5C8417
d-Limonene (Limonene)
L0046
Limonene, L-
Zitronen oel [German]
delta-1,8-Terpodiene
Methyl-4-(1-methylethenyl)cyclohexene
NSC 844
NSC-844
NSC21446
Oils, orange, sweet
Orange oil, distilled, sweet
Orange oil, sweet, expressed
PC 560
RP20299
Zonarez 7085
Zonarez 7115
1-Methyl-p-isopropenyl-1-cyclohexene
1,8-p-Menthadiene
C06078
d-Limonene (JAN)
D00194
HMS3264E05
HSDB 1809
HSDB 1931
HSDB 1934
HSDB 1944
AK176153
BT000140
DTXSID2029612
LS-2278
LS-2880
Mentha-1,8-diene
NSC757069
OR012480
OR111377
OR111378
OR217376
OR339605
OR369142
STK801934
UN 2052
( inverted exclamation markA)-limonene(dipentene)
1-Methyl-4-isopropenyl-1-cyclohexene
1-methyl-4-isopropenylcyclohex-1-ene
4-Isopropenyl-1-methyl-1-cyclohexene
CHEBI:15384
DSSTox_CID_9612
AN-19448
AN-21149
AN-21151
AN-21831
AN-23147
Caswell No. 425A
d(R)-4-Isopropenyl-1-methylcyclohexene
DSSTox_GSID_29612
limonene, (S)-isomer
LS-89490
LS-89491
LS-98217
NSC 21446
NSC-21446
SC-80005
Caswell No. 526
Cyclohexene, 4-Isopropenyl-1-methyl-
DSSTox_RID_78787
MFCD00062992
p-Mentha-1,8-diene
1-Methyl-4-(1-methylethenyl)cyclohexene
AI3-00739
AI3-25390
CCG-214016
LS-180589
LS-181342
NSC-757069
ST51046654
(+-)-Dipentene
(+-)-Linonene
AKOS009031280
DIPENTENE (+-)
EPA Pesticide Chemical Code 040501
EPA Pesticide Chemical Code 040517
EPA Pesticide Chemical Code 079701
J-007186
J-520048
.delta.-1,8-Terpodiene
4-mentha-1,8-diene
Di-p-mentha-1,8-diene
DL-p-mentha-1,8-diene
FEMA No. 2822
FEMA No. 2853
FT-0600409
FT-0605227
(+-)-alpha-Limonene
I14-18195
I14-53978
Mentha-1,8-diene, DL
p-Mentha-1, dl-
p-Mentha-1,8-diene, polymers
4-(1-methylethenyl)-1-methyl-cyclohexene
EN300-21627
NCI60_041856
Tox21_112068
Tox21_201818
Tox21_303409
(+/-)-Limonene
1-methyl-4-(1-methylethenyl)-cyclohexen
1,8(9)-p-Menthadiene
138-86-3
555-08-8
Limonene, (+)-
limonene, (+-)-isomer
7705-14-8
8022-90-0
8050-32-6
9003-73-0
Dipentene, p.a., 95%
MCULE-2462317444
MENTHA-1,8-DIENE (DL)
NCGC00163742-01
NCGC00163742-02
NCGC00163742-03
NCGC00163742-04
NCGC00257291-01
NCGC00259367-01
AB01563249_01
CAS-138-86-3
Cyclohexene, 1-methyl-4-(1-methylethynyl)
Cyclohexene,1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
EINECS 205-341-0
EINECS 227-815-6
EINECS 231-732-0
(.+-.)-Dipentene
(.+-.)-Limonene
1-methyl-4-prop-1-en-2-ylcyclohexene
26123-39-7
65996-98-7
68246-90-2
p-Mentha-1,8(9)-diene
Pharmakon1600-00307080
p-Mentha-1,8-diene, dl-
SR-01000872759
1-methyl-4-(1-methylvinyl)cyclohex-1-ene
WLN: L6UTJ A1 DY1 & U1
(+-)-(RS)-limonene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
MolPort-001-782-985
(.+/-.)-Dipentene
(.+/-.)-Limonene
1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE
Limonene, (+/-)-
Orange oil, terpeneless (Citrus sinensis (L.) Osbeck)
(1)-1-Methyl-4-(1-methylvinyl)cyclohexene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, homopolymer
Cyclohexene, (.+-.)-
SR-01000872759-1
1-methyl-4-(prop-1-en-2-yl)cyclohexene
ORANGE, OIL, DISTILLED (CITRUS SINENSIS (L.) OSBECK)
( inverted exclamation markA)-1,8-p-menthadiene,( inverted exclamation markA)-limonene
Dipentene, technical, for use as solvent (for the paint industry), mixture of various terpenes
1-Methyl-4-(1-methylethenyl)cyclohexene, (S)-
ORANGE PEEL, SWEET, OIL (CITRUS SINENSIS (L.) OSBECK)
(.+/-.)-.alpha.-Limonene
(+/-)-p-Mentha-1,8-diene
Petitgrain lemon oil (Citrus limon (L.) Burm. f.)
(s)-(-)-4-isopropenyl-1-methyl-1-cyclohexene
1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
p-Mentha-1,8-diene, (+-)-
p-Mentha-1, (.+-.)-
lemon, oil (citrus limon (l.) burm. f.)
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-
4B4F06FC-8293-455D-8FD5-C970CDB001EE
Cyclohexene,3-methyl-6-(1-methylethenyl)-, (3R,6R)-rel-
Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%
p-Mentha-1,8-diene, (.+/-.)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (+/-)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-
IUPAC name1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESCC1=CCC(CC1)C(=C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
FormulaC10H16
PubChem ID22311
Molweight136.238
LogP3.22
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details

Volatilization
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). The Henry's Law constant for alpha- and beta-pinene have been measured as 0.134 and 0.0679 atm-cu m/mole respectively at 25 deg C(2). These Henry's Law constants indicate that alpha- and beta-pinene are expected to volatilize rapidly from water surfaces(3). Based on these Henry's Law constants, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 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 4.6 days(SRC). alpha- and beta-Pinene's Henry's Law constants indicate that volatilization from moist soil surfaces may occur(SRC). alpha- and beta-Pinene are expected to volatilize from dry soil surfaces(SRC) based upon respective vapor pressures of 4.75 and 2.93 mm Hg at 25 deg C(1).
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010; Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for limonene is estimated as 0.032 atm-cu m/mole(SRC) derived from its vapor pressure, 1.55 mm Hg(1), and water solubility, 7.57 mg/L(2). This Henry's Law constant indicates that limonene is expected to volatilize rapidly 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 3 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 5 days(SRC). Limonene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of limonene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for d-limonene is reported as 0.0281 atm-cu m/mole(1). This Henry's Law constant indicates that d-limonene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 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 4.6 days(SRC). d-Limonene's reported Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of d-limonene from dry soil surfaces may exist based upon a vapor pressure of 1.98 mm Hg(3).
Literature: (1) Copolovici LO, Niinemets U Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
Solubility
In water, 0.65 to 2.1 mg/L at 25 deg C /primary pinene constituents of turpentine oil/
Literature: USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf
Literature: #Insol in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #Soluble in 5 volumes alcohol; miscible with benzene, chloroform, ether, carbon disulfide, petroleum ether and oils.
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #SLIGHTLY SOL IN WATER; SOL IN 3 VOL ALCOHOL; MISCIBLE WITH CARBON DISULFIDE, GLACIAL ACETIC ACID
Literature: The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 883
Literature: #In water, 7.57 mg/L at 25 deg C
Literature: Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000)
Literature: #Miscible with alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1021
Literature: #Miscible with alcohol, ether.
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2827
Literature: #Slightly soluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #Soluble in 2 vol 90% alcohol, 1 volume glacial acetic acid; miscible with absolute alcohol, carbon disulfide
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #In water, 13.8 mg/L at 25 deg C
Literature: Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)
Literature: #Miscible with ethanol and ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338
Literature: #Miscible with fixed oils; slightly soluble in glycerin; insoluble in propylene glycol
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2741
Soil Adsorption
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). Using a structure estimation method based on molecular connectivity indices(2), the Koc of alpha- and beta-pinene can be estimated to be 1000(SRC). According to a classification scheme(3), this estimated Koc value suggests that alpha- and beta-pinene are expected to have low mobility in soil.
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Dec 27, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc for limonene can be estimated to be 1,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that limonene is expected to have low mobility in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc of d-limonene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that d-limonene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.25 to 0.67 kPa at 20 deg C (1.9 to 5 mm Hg)CDC; International Chemical Safety Cards (ICSC) 2012. Turpentine, ICSC 1063. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of Dec 26, 2014: http://www.cdc.gov/niosh/ipcs/icstart.html
1.55 mm Hg at 25 deg C /extrapolated/Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
1.98 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aHoeckelmann and Juettner, 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiClitocybe OdoraFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiEmericella Nidulanscompost Fischer et al. 2039
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPenicillium Brevicompactumcompost Fischer et al. 2039
FungiPenicillium Clavigerumcompost Fischer et al. 2039
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Crustosumcompost Fischer et al. 2039
FungiPenicillium Glabrumcompost Fischer et al. 2039
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
FungiTuber BrumaleFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiPenicillium SpinulosumGC-MSno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
FungiLentinula EdodesnaGC/MSNo
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Sciuri876 liquid mediumSPME-GC/MS
BacteriaStreptomyces Citreusn/an/a
BacteriaTolypothrix Distortan/an/a
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
FungiTuber Brumalemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


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

Mass-Spectra

Compound Details

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

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


4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

Compound Details

Synonymous names
AC1L3KYV
CTK8H7253
AN-17967
EINECS 245-542-0
4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2
4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
4-(2,2,6-Trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-buten-2-one
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
IUPAC name4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
SMILESCC(=O)C=CC12C(CCCC1(O2)C)(C)C
InchiInChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3
FormulaC13H20O2
PubChem ID90899
Molweight208.301
LogP2.8
Atoms35
Bonds36
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationTerpenes Ethers Ketones Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
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
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSpirulina Platensisn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/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
BacteriaCyanobacterian/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSpirulina Platensisn/an/a
BacteriaTolypothrix Distortan/an/a


2-hydroxy-2,6,6-trimethylcyclohexan-1-one

Compound Details

Synonymous names
FWCGLHYHGUHPRY-UHFFFAOYSA-N
AC1Q6DHK
AC1L2Q4L
CTK2I0014
NSC401666
OR117363
SCHEMBL1244972
2-hydroxy-2,6,6-trimethylcyclohexanone
2,6,6-trimethyl-2-hydroxycyclohexanone
NSC 401666
NSC-401666
AKOS015907431
I14-21013
7500-42-7
2-hydroxy-2,6,6-trimethylcyclohexan-1-one
Cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
IUPAC name2-hydroxy-2,6,6-trimethylcyclohexan-1-one
SMILESCC1(CCCC(C1=O)(C)O)C
InchiInChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7(8)10/h11H,4-6H2,1-3H3
FormulaC9H16O2
PubChem ID101115
Molweight156.225
LogP2.15
Atoms27
Bonds27
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationTerpenes Ketones Alcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a


4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Mass-Spectra

Compound Details

Synonymous names
QJJDNZGPQDGNDX-UHFFFAOYSA-N
Oxidized Latia luciferin
Dihydro Lonone Beta
Dihydro-beta-ionone
AC1LAS8K
DIHYDRO-?-IONONE
Dihydro-|A-ionone
710YK6CESE
UNII-710YK6CESE
Dihydro-.beta.-ionone
SCHEMBL441670
Dihydro-beta-ionone, >=90%
C03527
LS-2671
DTXSID4047200
OR048600
OR230956
CHEMBL3188345
CHEBI:18015
ZINC2565574
7,8-Dihydro-beta-ionone
AJ-41132
DSSTox_GSID_47200
STOCK1N-72264
AN-18697
AK-60960
ZINC02565574
DSSTox_RID_82195
DSSTox_CID_27200
AI3-32482
AKOS015903877
.beta.-7,8-Dihydroionone
.beta.-Ionone, dihydro-
FEMA No. 3626
I14-18428
Tox21_302666
7,8-Dihydro-.beta.-ionone
NCGC00256712-01
EINECS 241-318-1
17283-81-7
.alpha.,.beta.-Dihydro-.beta.-ionone
MolPort-003-721-207
CAS-17283-81-7
4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone
4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one
4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one
1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one
2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H
IUPAC name4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
SMILESCC1=C(C(CCC1)(C)C)CCC(=O)C
InchiInChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
FormulaC13H22O
PubChem ID519382
Molweight194.318
LogP3.28
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a


(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names
beta-Cyclocitrylideneacetone
PSQYTAPXSHCGMF-BQYQJAHWSA-N
.beta.-Cyclocitrylideneacetone
AC1LCVGO
BETA-IONONE
beta-Ionon
trans-beta-Ionone
beta-Ionone, analytical standard
A7NRR1HLH6
beta-E-Ionone
IONONE, BETA
AC1Q1JB4
UNII-A7NRR1HLH6
Nat. Beta Ionone
UNII-QP734LIN1K component PSQYTAPXSHCGMF-BQYQJAHWSA-N
.beta.-Ionene
.beta.-Ionone
SCHEMBL23953
CHEMBL559945
LS-871
NSC46137
trans-.beta.-Ionone
BDBM181139
C12287
CCRIS 6249
HSDB 8269
(E)-beta-Ionone
AK116682
AK155870
AM806748
BBL009828
beta-Ionone, 96%
DTXSID4021769
Jsp002814
NSC402758
OR048073
OR342596
SBB017514
STK801279
CHEBI:32325
DSSTox_CID_1769
Z-1830
ZINC3881456
AJ-46632
AN-19278
DSSTox_GSID_21769
FCH2253011
FCH4510490
NSC-46137
5,7-Megastigmadien-9-one
BB_NC-0321
DSSTox_RID_76315
MFCD00001549
ZINC03881456
Ionone, .beta.-
KB-186187
KB-237357
NSC 402758
NSC-402758
RTR-006010
ST24035055
ST50306954
TR-006010
WT-131223
9-apo-beta-caroten-9-one
AKOS000121023
BB_NC-00321
J-008542
W-104258
4CH-024696
FT-0622918
FT-0627280
FT-0670401
.beta.-Ionone isomer # 1
.beta.-Ionone isomer # 2
79-77-6
I14-13931
I14-18323
BBV-75856003
Tox21_201454
Tox21_302862
US9144538, beta-Ionone
beta-Ionone, natural, >=85%, FG
CAS-79-77-6
8013-90-9
NCGC00248145-01
NCGC00248145-02
NCGC00256534-01
NCGC00259005-01
US9138393, ?-Ionone
EINECS 238-969-9
EINECS 288-959-3
14901-07-6
85949-43-5
EC 201-224-3
EC 238-969-9
beta-Ionone, predominantly trans, >=97%, FCC, FG
MolPort-001-783-113
1353674-22-2
beta-Ionone, natural (US), >=85%, FG
beta-Ionone, purum, >=95.0% (GC)
WLN: L6UTJ A1U1V1 B1 F1 F1
2-07-00-00140 (Beilstein Handbook Reference)
4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
4-[2,6,6-Trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|
(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
4-(2,6,6-Ey(1/4)x>>u-1->>.(1/4) masculineI(c)>>u)-3- paragraph sign inverted exclamation markI(c)-2-I feminine
InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7
IUPAC name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SMILESCC1=C(C(CCC1)(C)C)C=CC(=O)C
InchiInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
FormulaC13H20O
PubChem ID638014
Molweight192.302
LogP3.28
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Alkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for beta-ionone is estimated as 8.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.054 mm Hg(1), and water solubility, 169 mg/L(1). This Henry's Law constant indicates that beta-ionone 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 19 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 10 days(SRC). beta-Ionone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, beta-ionone may volatilize from dry soil(SRC).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc of beta-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that beta-ionone is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.054 mm Hg at 25 deg CFichan I et al; J Chem Eng Data 44: 56-62 (1999)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaOscillatoria Perornatan/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaOscillatoria Perornatan/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaTolypothrix Distortan/an/a


(Z)-heptadec-5-ene

Compound Details

Synonymous names
PEQVDTIKHXOELW-LUAWRHEFSA-N
AC1NS1YN
cis-5-Heptadecene
LP037166
(Z)-5-Heptadecene
(Z)-heptadec-5-ene
(5Z)-HEPTADEC-5-ENE
IUPAC name(Z)-heptadec-5-ene
SMILESCCCCCCCCCCCC=CCCCC
InchiInChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-17H2,1-2H3/b11-9-
FormulaC17H34
PubChem ID5352233
Molweight238.459
LogP7.66
Atoms51
Bonds50
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/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