Results for:
Species: Cladosporium cladosporioides Ellis

Pentan-3-one

Mass-Spectra

Compound Details

Synonymous names
Dimethylacetone
diathylketon
Diethylcetone
DIETHYLKETONE
Metacetone
Methacetone
FDPIMTJIUBPUKL-UHFFFAOYSA-N
Propione
dimethyl acetone
Ethyl propionyl
Diethyl ketone
DEK
diethylcetone(french)
Ethyl ketone
ethyl ethyl ketone
3-oxopentane
AC1L1OFJ
AC1Q2ROK
AC1Q5GYE
3-pentanon
3-PENTANONE
di-ethyl ketone
Pentanone-3
Diethylcetone [French]
UNII-Y4Y2BRI5UL component FDPIMTJIUBPUKL-UHFFFAOYSA-N
1,3-Dimethylacetone
3-Pentanone, analytical standard
9SLZ98M9NK
KSC492E6L
Pentan-3-one
3-Oxylatopentane-3-ylium
7317AF
CHEMBL45315
NSC8653
UN1156
UNII-9SLZ98M9NK
CTK3J2265
P0061
ACMC-209s6p
RP18460
HSDB 5301
WLN: 2V2
BBL027755
DTXSID6021820
NSC 8653
NSC-8653
OR034165
OR128391
OR245564
STL281851
UN 1156
(C2H5)2CO
1-pentan-3-one
3-Pentanone, >=99%
A845564
CHEBI:87755
DSSTox_CID_1820
ZINC1648158
AN-24339
ANW-40799
CJ-26591
DSSTox_GSID_21820
KB-33099
SC-75292
TRA0007787
BB_SC-6948
DSSTox_RID_76347
LMFA12000001
MFCD00009320
ZINC01648158
AI3-24337
LS-101912
RTR-030127
TR-030127
AKOS000119714
I14-4162
FT-0616299
96-22-0
Z234895377
Tox21_200677
F0001-2290
BUTYL, 1-METHYL-2-OXO-
CAS-96-22-0
3-Pentanone, for HPLC, 96%
3-Pentanone, ReagentPlus(R), >=99%
MCULE-8236549739
NCGC00166068-01
NCGC00166068-02
NCGC00258231-01
EINECS 202-490-3
Diethyl ketone [UN1156] [Flammable liquid]
3-Pentanone, 99% 100ml
MolPort-001-770-065
26071-EP2314558A1
92820-EP2269986A1
92820-EP2272825A2
92820-EP2295414A1
92820-EP2305649A1
Diethyl ketone [UN1156] [Flammable liquid]
103051-EP2269986A1
103051-EP2287154A1
103051-EP2289879A1
103051-EP2298753A1
103051-EP2301918A1
3-Pentanone, ReagentPlus(R), >=99.0% (GC)
InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H
Microorganism:

Yes

IUPAC namepentan-3-one
SMILESCCC(=O)CC
InchiInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
FormulaCH3CH2COCH2CH3
PubChem ID7288
Molweight86.134
LogP1.51
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ketone 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 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 2007. (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY, NY: Hemisphere Pub Corp, (1989)
Soil Adsorption
The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (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)
Vapor Pressure
PressureReference
37.7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiCladosporium Cladosporioides EllisDG18GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a


3-methylfuran

Mass-Spectra

Compound Details

Synonymous names
KJRRQXYWFQKJIP-UHFFFAOYSA-N
2-Azacyclobutanone
3-methylfurane
3-METHYLFURAN
3-Methylfuran, AldrichCPR
3-methyl furan
3-methyl-furan
3-methyl-fura
AC1L221I
3-Methylfuran-methyl-D3
PubChem19993
X5961
3-methylfuran,98%
M0939
CTK3I8103
VZ35151
ACMC-20an04
NSC346905
HE142616
HE027296
X-4282
ZINC1580392
A844425
3-methylfuran (stabilized with hq)
CJ-25129
5R72A0440N
LS-70258
KB-32635
AN-48024
Furan, 3-methyl-
DTXSID10239228
FCH1116445
GEO-01834
ZINC01580392
MFCD00060134
NSC-346905
DB-016017
UNII-5R72A0440N
TR-029158
RTR-029158
NSC 346905
AKOS005255084
S14-0927
FT-0616160
FT-0671790
3-methylfuran, 98% 1gr
BRN 0104217
I14-22064
930-27-8
3-methylfuran (stabilized with hq) 98+%
MolPort-019-910-356
5-17-01-00330 (Beilstein Handbook Reference)
InChI=1/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H
Microorganism:

Yes

IUPAC name3-methylfuran
SMILESCC1=COC=C1
InchiInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
FormulaC5H6O
PubChem ID13587
Molweight82.102
LogP1.63
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFuran furans ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus FlavusSchnürer et al. 1999
FungiPenicillium BrevicompactumSchnürer et al. 1999
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Fungi Börjesson et al. 1990
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus Flavusmalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Brevicompactummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
BacteriaStreptomyces Spp.n/an/a
Fungi no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiCladosporium Cladosporioides EllisDG18GC/MS
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Commune PittDG18GC/MS


Oct-1-ene

Mass-Spectra

Compound Details

Synonymous names
hexylethylene
Octylene
Caprylene
KWKAKUADMBZCLK-UHFFFAOYSA-N
alpha-Octylene
alpha-Octene
AC1Q2VTU
AC1L1QBK
1-Caprylene
ACMC-1BOJN
1-Octylene
Neodene 8
1-OCTENE
OCTENE-1
SHOP C8
E5VK21B9RC
Octene (petroleum)
.alpha.-Octylene
1-0ctene
1-Octene, analytical standard
UNII-BY37UED16B component KWKAKUADMBZCLK-UHFFFAOYSA-N
.alpha.-Octene
1-n-ctene
n-1-Octene
NSC8457
1-n-octene
UNII-E5VK21B9RC
Oct-1-ene
Octene-1, octylene
7954AF
O0251
O0041
S0338
CTK0H5242
LS-536
NE10663
HSDB 1084
NSC 8457
CHEMBL1376677
DTXSID6025804
1-C8H16
NSC-8457
BBL027759
LP083847
STL372709
Jsp000874
SBB059884
ZINC1586749
CHEBI:46708
DSSTox_CID_5804
KB-66395
TRA0031125
ANW-42076
DSSTox_GSID_25804
BB_SC-7258
MFCD00009548
DSSTox_RID_77927
ST51046148
RTR-002290
TR-002290
AI3-28403
1-Octene, 98%
J-002614
AKOS009031490
FT-0630803
FT-0608183
I14-17864
Alkenes, C8-9 alpha-
Tox21_200652
111-66-0
NCGC00258206-01
MCULE-6867393536
NCGC00091537-01
NCGC00091537-02
EINECS 271-245-0
EINECS 271-211-5
CAS-111-66-0
EINECS 203-893-7
68527-00-4
1-Octene (High Purity, 99% minimum)
MolPort-001-756-620
1-Octene, 97% 500ml
97564-EP2305662A1
97564-EP2380568A1
alpha olefins (petroleum), (C8-C9) cut
1-Octene, purum, >=97.0% (GC)
InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H
Microorganism:

Yes

IUPAC nameoct-1-ene
SMILESCCCCCCC=C
InchiInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
FormulaCH3(CH2)5CH=CH2
PubChem ID8125
Molweight112.216
LogP3.72
Atoms24
Bonds23
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-octene is estimated as 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(1), and water solubility, 4.1 mg/l(2). This Henry's Law constant indicates that 1-octene 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 3.1 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 4.2 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be 37 hrs ignoring adsorption; when considering maximum adsorption, the volatilization half-life increases to 95 hrs(4). 1-Octene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-octene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 17.4 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressures, Vol 3, C8 to C28 Compound. Houston, TX: Gulf Publ Co. pp. 382-7 (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Data Base of Water Solubility Ver 5, Tuscon, AZ: Univ Arizona, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
17.4 mm Hg @ 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
FungiAspergillus Nigern/aMeruva et al., 2004
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus NigerTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus OrnatusTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiCladosporium Cladosporioides EllisDG18GC/MS
FungiPencillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no