Results for:
Species: Streptomyces

Propanoic Acid

Mass-Spectra

Compound Details

Synonymous names
ethanecarboxylate
Carboxyethane
Ethanecarboxylic acid
metacetonate
methylacetate
PropionicAcid
Propionsaeure
pseudoacetate
Kyselina propionova
propanoate
propionate
acide propanoique
Acide propionique
Luprisol
Luprosil
methylacetic acid
Monoprop
Propcorn
Propkorn
Pseudoacetic acid
XBDQKXXYIPTUBI-UHFFFAOYSA-N
ethylformic acid
Metacetonic acid
Propionoic acid
Prozoin
NATURAL PROPIONIC ACID
Propanoic acid
Propanyl acid
Propioic acid
propionic acid
Sentry grain preserver
Antischim B
Propionic acid grain preserver
propoic acid
Methyl acetic acid
Propionic Acid Reagent Grade
Toxi-Check
AC1L1AKT
AC1Q2SKR
C2H5COOH
n-propionic acid
Propionic acid, analytical standard
Tenox P grain preservative
2-methylacetic acid
Methylacetic Acid, Propanoic Acid
JHU490RVYR
1-propanoic acid
Acid C3
C3 acid
Acide propionique [French]
C3H6O2
Kyselina propionova [Czech]
UNII-JHU490RVYR
E280
GTPL1062
KSC377K4B
Propionic acid (natural)
S067
CHEMBL14021
UN1848
C1-5 Carboxylic acids
C3:0
CH3-CH2-COOH
CTK2H7540
HMDB00237
P0500
Propionic acid, >=99%
DB03766
Propionic acid (NF)
Propionic acid [NF]
Propionic acid, 99%
Propionic Acid, Ethanecarboxylic Acid, Methylacetic Acid, Propanoic Acid
RL05053
bmse000179
C00163
CCRIS 6096
D02310
HSDB 1192
LTBB001652
DNC000832
DTXSID8025961
FEMA Number 2924
LS-1771
OR033967
OR226045
OR246996
OR253314
OR328316
Propanoic acid (9CI)
Propionic acid [USAN:NF]
STL168039
UN 1848
ACMC-20977b
Carboxylic acids, C1-5
CHEBI:30768
DSSTox_CID_5961
ETHYL, 1-CARBOXY-
ETHYL, 2-CARBOXY-
Propionic acid, United States Pharmacopeia (USP) Reference Standard
ZINC6050663
ANW-13605
BP-20411
DSSTox_GSID_25961
KB-59985
PROPOXY, 1-OXO-
SC-22887
BDBM50082199
Caswell No. 707
LMFA01010003
MFCD00002756
Propionic acid, >=99.5%
AI3-04167
Propionic acid, 99.5%
RTR-025212
TR-025212
AKOS000118853
EPA Pesticide Chemical Code 077702
Epitope ID:139981
I04-0849
Propionic acid (6CI,8CI)
Propionic acid, 99%, FCC
BRN 0506071
Fatty acids, C3-24
FEMA No. 2924
FT-0658557
79-09-4
Propionic acid, 99% 1kg
Tox21_304030
(C3-C24) Fatty acids
F2191-0098
CAS-79-09-4
Propionic acid, ACS reagent, >=99.5%
Propionic acid, for synthesis, 99.5%
Propionic acid, natural, 99%, FG
MCULE-2199051150
NCGC00357239-01
Propionic acid, BioReagent, suitable for insect cell culture, ~99%
EINECS 201-176-3
EINECS 273-079-4
EINECS 273-598-6
Propionic acid, feed grade, 98.7%
68937-68-8
68990-37-4
Propionic acid [UN1848] [Corrosive]
Propionic acid, SAJ first grade, >=98.0%
613-EP2269610A2
613-EP2269986A1
613-EP2269988A2
613-EP2270008A1
613-EP2270011A1
613-EP2270113A1
613-EP2272935A1
613-EP2275401A1
613-EP2275407A1
613-EP2275413A1
613-EP2277848A1
613-EP2277858A1
613-EP2277867A2
613-EP2277878A1
613-EP2277880A1
613-EP2280003A2
613-EP2280013A1
613-EP2280014A2
613-EP2281563A1
613-EP2281819A1
613-EP2284146A2
613-EP2284147A2
613-EP2284159A1
613-EP2284160A1
613-EP2284169A1
613-EP2284174A1
613-EP2287152A2
613-EP2287153A1
613-EP2287155A1
613-EP2287156A1
613-EP2287161A1
613-EP2287162A1
613-EP2287168A2
613-EP2289510A1
613-EP2289883A1
613-EP2289890A1
613-EP2289965A1
613-EP2292597A1
613-EP2292599A1
613-EP2292606A1
613-EP2292609A1
613-EP2292610A1
613-EP2292617A1
613-EP2292619A1
613-EP2295055A2
613-EP2295409A1
613-EP2295424A1
613-EP2295435A1
613-EP2295438A1
613-EP2298731A1
613-EP2298735A1
613-EP2298747A1
613-EP2298757A2
613-EP2298763A1
613-EP2298772A1
613-EP2298779A1
613-EP2298828A1
613-EP2301918A1
613-EP2301922A1
613-EP2301924A1
613-EP2301931A1
613-EP2301937A1
613-EP2301940A1
613-EP2305257A1
613-EP2305633A1
613-EP2305641A1
613-EP2305646A1
613-EP2305649A1
613-EP2305651A1
613-EP2305659A1
613-EP2305666A1
613-EP2305683A1
613-EP2305684A1
613-EP2305808A1
613-EP2308838A1
613-EP2308839A1
613-EP2308848A1
613-EP2308851A1
613-EP2308854A1
613-EP2308857A1
613-EP2308858A1
613-EP2308869A1
613-EP2309584A1
613-EP2311453A1
613-EP2311796A1
613-EP2311797A1
613-EP2311798A1
613-EP2311799A1
613-EP2311801A1
613-EP2311802A1
613-EP2311803A1
613-EP2311807A1
613-EP2311809A1
613-EP2311811A1
613-EP2311816A1
613-EP2311817A1
613-EP2311818A1
613-EP2311824A1
613-EP2311830A1
613-EP2311839A1
613-EP2311842A2
613-EP2311850A1
613-EP2314586A1
613-EP2314588A1
613-EP2314589A1
613-EP2314590A1
613-EP2314593A1
613-EP2316457A1
613-EP2316458A1
613-EP2316459A1
613-EP2316825A1
613-EP2316826A1
613-EP2316827A1
613-EP2316828A1
613-EP2316837A1
613-EP2316937A1
613-EP2371803A1
613-EP2371814A1
613-EP2377843A1
613-EP2380568A1
784139-72-6
MolPort-000-871-576
Top distillation cut by-product acids, monobasic (C1-C5)
1032826-44-0
Propionic acid [UN1848] [Corrosive]
Propionic acid, >=99.5%, FCC, FG
11906-EP2269978A2
11906-EP2269985A2
11906-EP2269991A2
11906-EP2284150A2
11906-EP2284151A2
11906-EP2284152A2
11906-EP2284153A2
11906-EP2284155A2
11906-EP2284156A2
11906-EP2284164A2
11906-EP2287140A2
11906-EP2287148A2
11906-EP2287150A2
11906-EP2289871A1
11906-EP2292590A2
11906-EP2295419A2
11906-EP2298732A1
11906-EP2301534A1
11906-EP2301912A2
11906-EP2301913A1
11906-EP2301914A1
11906-EP2301916A2
11906-EP2305637A2
11906-EP2308832A1
11906-EP2308863A1
11906-EP2311451A1
11906-EP2311796A1
11906-EP2311797A1
11906-EP2311798A1
11906-EP2311799A1
11906-EP2316450A1
32532-EP2295430A2
32532-EP2295431A2
32532-EP2301544A1
32532-EP2301933A1
32532-EP2305825A1
32532-EP2311824A1
32532-EP2311827A1
557-28-8 (zinc salt)
4-02-00-00695 (Beilstein Handbook Reference)
Propionic acid, puriss. p.a., >=99.5% (GC)
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5
IUPAC namepropanoic acid
SMILESCCC(=O)O
InchiInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FormulaCH3CH2COOH
PubChem ID1032
Molweight74.079
LogP0.48
Atoms11
Bonds10
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

Volatilization
A pKa of 4.87(1) indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 3.35 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data. NY, NY: Am Inst for Phys Prop Data (1985)
Soil Adsorption
The Koc of propionic acid is estimated as 36(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionic acid is expected to have very high mobility in soil. The pKa of propionic acid is 4.87(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay 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. 6 (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) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (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
3.53 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 3718 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 20646
MS-MS Spectrum 398 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22282
MS-MS Spectrum 22280
MS-MS Spectrum 3715 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 22196
MS-MS Spectrum 20731
MS-MS Spectrum 3716 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 397 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 399 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20730
MS-MS Spectrum 20729
MS-MS Spectrum 22198
MS-MS Spectrum 3719 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 22197
MS-MS Spectrum 3714 - EI-B (HITACHI RMU-6M) Positive
MS-MS Spectrum 3717 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20647
MS-MS Spectrum 20645
MS-MS Spectrum 22281
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaEscherichia Colin/aJulak et al., 2003
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
BacteriaStaphylococcus Sp.n/aSchulz and Dickschat, 2007
Fungi Penicillium CamembertiLarsen 2001
Fungi Penicillium CaseifulvumLarsen 2001
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaAcinetobacter Baumaniiclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Cadaverumn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaClostridium Tertiumclinical exudatesJulak et al. 2003
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
BacteriaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaFusobacterium Nucleatum ATCC 23726n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Nucleatum ATCC 33568n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaKlebsiella PneumoniaeNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaNocardia Sp.clinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaEscherichia ColiVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno
BacteriaStaphylococcus Sp.n/an/a
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaAcinetobacter Baumaniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Cadaverumn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaClostridium Tertiumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaEscherichia Colipeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatumn/an/a
BacteriaFusobacterium Nucleatum ATCC 23726n/an/a
BacteriaFusobacterium Nucleatum ATCC 33568n/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaKlebsiella Pneumoniaepeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaMicrobacterium Oxydansn/an/a
BacteriaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Loescheiin/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a


N,N-dimethylmethanamine

Mass-Spectra

Compound Details

Synonymous names
Dimethylaminomethylidyneradical
tridimethylaminomethane
Dimethylmethaneamine
trimethylamine
Trimethylamine anhydrous
Trimethylamine solution
trimethylamino
Trimethylamin
Trimethylamine aqueous solution
GETQZCLCWQTVFV-UHFFFAOYSA-N
N-Trimethylamine
tri-methylamine
TRIMETHYL AMINE
trimethyl-amine
Trimethylamine, anhydrous
N,N-dimethylmethanamine
KEN
AC1L1ATW
AC1Q3VWI
N,N-Dimethylmethanamine #
NMe3
Trimethylamine, in aqueous solution
N,N-dimethyl-Methanamine
N,N,N-trimethylamine
GTPL5521
KSC181G2F
Trimethylamine, anhydrous, >=99%
UN1083
UN1297
CTK0I1322
HMDB00906
HSDB 808
LHH7G8O305
Trimethylamine, 1M solution in THF
CHEMBL439723
RL04874
bmse000224
C00565
CCRIS 6283
LTBB001214
Methanamine, N,N-dimethyl-
Methylamine, N,N-dimethyl-
Trimethylamine 2.0M in THF
Trimethylamine, >=99.0%
Trimethylamine, >=99.5%
UNII-LHH7G8O305
(CH3)3N
DTXSID2026238
FEMA Number 3241
LS-1667
METHYL, (DIMETHYLAMINO)-
N(CH3)3
NSC101179
OR034134
OR255230
OR337794
OR337795
STL264242
UN 1083
UN 1297
CHEBI:18139
DSSTox_CID_6238
Trimethylamine, 45% w/w aqueous solution
ZINC8216125
AN-23859
DSSTox_GSID_26238
KB-62087
SC-46821
Trimethylamine solution, 34-36%
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass
BDBM50416499
DSSTox_RID_78071
MFCD00008327
Trimethylamine solution (30% or less)
AI3-15639
NCIOpen2_007868
NSC-101179
RTR-031873
TR-031873
Trimethylamine, 33% w/w in ethanol
AKOS000119986
ZINC112948558
FEMA No. 3241
FT-0660006
75-50-3
Tox21_302355
Trimethylamine solution, 25 wt. % in propylene glycol
F1908-0091
CAS-75-50-3
4558-12-7
MCULE-7903544426
NCGC00255170-01
EINECS 200-875-0
19530-21-3
Trimethylamine solution, 25 wt. % in H2O
Trimethylamine, 45% w/w aqueous solution 500ml
593-81-7 (hydrochloride)
Trimethylamine, anhydrous [UN1083] [Flammable gas]
MolPort-000-883-876
2840-24-6 (hydrobromide)
Hydrogen undecahydrodicarbaundecaborate(1-), compd. with trimethylamine (1:1)
11062-EP2269610A2
11062-EP2269977A2
11062-EP2269989A1
11062-EP2269990A1
11062-EP2269999A1
11062-EP2270011A1
11062-EP2270014A1
11062-EP2270505A1
11062-EP2272491A1
11062-EP2272822A1
11062-EP2272832A1
11062-EP2272834A1
11062-EP2272841A1
11062-EP2275398A1
11062-EP2275411A2
11062-EP2275412A1
11062-EP2275427A1
11062-EP2277848A1
11062-EP2277867A2
11062-EP2280001A1
11062-EP2280003A2
11062-EP2280010A2
11062-EP2281817A1
11062-EP2281821A1
11062-EP2281823A2
11062-EP2284149A1
11062-EP2284160A1
11062-EP2284169A1
11062-EP2284171A1
11062-EP2287147A2
11062-EP2287152A2
11062-EP2287153A1
11062-EP2287155A1
11062-EP2287160A1
11062-EP2287161A1
11062-EP2287162A1
11062-EP2287163A1
11062-EP2289510A1
11062-EP2289891A2
11062-EP2289965A1
11062-EP2292228A1
11062-EP2292576A2
11062-EP2292597A1
11062-EP2292615A1
11062-EP2295402A2
11062-EP2295406A1
11062-EP2295409A1
11062-EP2295414A1
11062-EP2295415A1
11062-EP2295433A2
11062-EP2295437A1
11062-EP2298731A1
11062-EP2298734A2
11062-EP2298742A1
11062-EP2298750A1
11062-EP2298761A1
11062-EP2298772A1
11062-EP2298775A1
11062-EP2298779A1
11062-EP2298828A1
11062-EP2301923A1
11062-EP2301928A1
11062-EP2301929A1
11062-EP2301931A1
11062-EP2301933A1
11062-EP2301935A1
11062-EP2301936A1
11062-EP2302015A1
11062-EP2305219A1
11062-EP2305257A1
11062-EP2305625A1
11062-EP2305636A1
11062-EP2305651A1
11062-EP2305672A1
11062-EP2305673A1
11062-EP2305674A1
11062-EP2305677A1
11062-EP2305678A1
11062-EP2305679A1
11062-EP2305682A1
11062-EP2308839A1
11062-EP2308840A1
11062-EP2308851A1
11062-EP2308854A1
11062-EP2308857A1
11062-EP2308873A1
11062-EP2308875A1
11062-EP2308879A1
11062-EP2311804A2
11062-EP2311808A1
11062-EP2311811A1
11062-EP2311815A1
11062-EP2311827A1
11062-EP2311829A1
11062-EP2311831A1
11062-EP2311834A1
11062-EP2311842A2
11062-EP2314586A1
11062-EP2314590A1
11062-EP2314593A1
11062-EP2316457A1
11062-EP2316458A1
11062-EP2316825A1
11062-EP2316826A1
11062-EP2316827A1
11062-EP2316828A1
11062-EP2316831A1
11062-EP2316836A1
11062-EP2377813A1
11062-EP2380869A1
11062-EP2380870A1
11062-EP2380874A2
28042-EP2301937A1
28042-EP2314588A1
37851-EP2292227A2
37851-EP2298732A1
37851-EP2301913A1
37851-EP2301914A1
37851-EP2311796A1
37851-EP2311797A1
37851-EP2311798A1
37851-EP2311799A1
59622-EP2272846A1
59622-EP2277868A1
59622-EP2277869A1
59622-EP2277870A1
59622-EP2292608A1
59622-EP2308852A1
Trimethylamine, anhydrous [UN1083] [Flammable gas]
Trimethylamine, anhydrous, cylinder, with 316SS needle valve, 99%
148083-EP2280005A1
148083-EP2289884A1
20230-89-1 (hydriodide)
Trimethylamine solution, 25 wt. % in H2O, FG
Trimethylamine solution, 45 wt. % in H2O, FG
Trimethylamine solution, ~45 wt. % in H2O (T)
InChI=1/C3H9N/c1-4(2)3/h1-3H
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass [UN1297] [Flammable liquid]
METHAN-D3-AMINE,N,N-DI(METHYL-D3)- (9CI)
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass [UN1297] [Flammable liquid]
Trimethylamine solution, 31-35 wt. % in ethanol, 4.2 M, contains toluene as stabilizer
IUPAC nameN,N-dimethylmethanamine
SMILESCN(C)C
InchiInChI=1S/C3H9N/c1-4(2)3/h1-3H3
Formula(CH3)3N
PubChem ID1146
Molweight59.112
LogP0.19
Atoms13
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAmines nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for trimethylamine is 1.0X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that trimethylamine is expected to volatilize from water surfaces(2). However, trimethylamine is a base with pKa of 9.8(3) and will exist primarily as a cation under environmental conditions (pH 5-9)(SRC). Thus, volatilization of trimethylamine from moist soil and water surfaces will not be an important fate process because cations do not volatilize(SRC). The potential for volatilization of trimethylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 1,610 mm Hg(4).
Literature: (1) Christie AO, Crisp DJ; J Appl Chem 17: 11-4 (1967) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perinn DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Ser: Suppl 1972. London, England: Buttersworth (1972) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp, 5 Vol (1989)
Soil Adsorption
The Koc of trimethylamine is estimated as 29(SRC), using a log Kow of 0.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that trimethylamine is expected to have very high mobility in soil(SRC). However, trimethylamine has a pKa of 9.8(4) and should exist primarily as a cation under environmental conditions (pH 5-9)(SRC). As a result, trimethylamine may have greater adsorption and less mobility than its estimated Koc value indicates since cations generally adsorb more strongly to soils containing organic carbon and clay than neutral species(5). Sorption coefficients for trimethylamine adsorption on montmorillonite, kaolinite and Flax Pond sediment (7% clay, 2.8% OM; Long Island, NY) were 15, 2 and 7 ml/g, respectively(6). The trimethylamine cation adsorbed strongest to the negatively-charged montmorillonite via electrostatic interactions(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc 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: Suppl 1972. Buttersworth, London (1972) (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) (6) Wang XC, Lee C; Mar Chem 44: 1-23 (1993)
Vapor Pressure
PressureReference
1610 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus AureusRobacker and Flath 1995
BacteriaStreptomycesinduces exploratory growthJones et al. eLife 2017;6:e21738.
FungiTilletia Cariesn/aStotzky and Schenk, 1976
FungiTilletia Controversan/aStotzky and Schenk, 1976
FungiTilletia Foetidan/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Aureusno
BacteriaStreptomycesYPD agarGCxGC-TOFMSyes
FungiTilletia Cariesn/an/a
FungiTilletia Controversan/an/a
FungiTilletia Foetidan/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


3-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Isovaleriansaeure
Isovalericacid
Isovalerianic
Isobutylformic acid
Isopropylacetic acid
isovalerate
Kyselina isovalerova
METHYLBUTANOIC ACID
GWYFCOCPABKNJV-UHFFFAOYSA-N
Isopentanoic acid
Isovalerianic acid
3-Methylbuttersaeure
b-Methylbutyrate
ISOVALERIC ACID
beta-Methylbutyric acid
Delphinic acid
NATURAL ISOVALERIC ACID
3-Methylbutyrate
b-Methylbutyric acid
Isobutyl formic acid
IVA
methyl butanoic acid
3-Methylbutyric
Isovaleric acid, analytical standard
3-Methylbutanoic acid
3-Methylbutyric acid|
iso-valeric acid
3-Methylbutyric acid
ACMC-1BMPI
Isopropyl Acetic Acid, natural
AC1L1V6N
iso-C4H9COOH
Kyselina isovalerova [Czech]
Methylbutanoic acid (Related)
3-methyl-butanoic acid
3,4-Diisovaleryl adrenaline
.beta.-Methylbutyric acid
3-methyl butyric acid
3-methyl-butyric acid
3-Methylbutyric acid: isopropyl-Acetate
AC1Q1P73
Isovaleric acid (natural)
KSC489M7P
S153
Acetic acid, isopropyl-
SCHEMBL43436
3-Methylbutyric acid: isopropyl-Acetic acid
CTK3I9677
HMDB00718
HSDB 629
3-methyl-n-butyric acid
CHEMBL568737
DB03750
Isovaleric acid, 99%
NSC62783
RP18769
STR08356
1BR7X184L5
bmse000373
C08262
ZINC388188
AK116943
BBL027399
BC677309
DTXSID5029182
LS-2386
OR025022
OR111348
OR376668
OR376669
STL146358
WLN: QV1Y1&1
CHEBI:28484
DSSTox_CID_9182
UNII-1BR7X184L5
AJ-20479
AN-21437
ANW-30978
Butanoic acid, 3-methyl-
DSSTox_GSID_29182
Isovaleric acid sodium salt (Salt/Mix)
KB-52997
NSC 62783
NSC-62783
SC-27287
TRA0072843
BB_NC-2309
Butyric acid, 3-methyl-
DSSTox_RID_78698
LMFA01020181
MFCD00002726
AI3-24132
FEMA Number: 3102
RTR-018005
ST24028594
TR-018005
AKOS000119861
J-522594
BRN 1098522
FEMA No. 3102
FT-0627533
I14-10601
Z955123492
Isovaleric acid, natural, >=98%, FG
Tox21_201604
503-74-2
F2191-0067
NA 1760 (Related)
Isovaleric acid, >=99%, FCC, FG
MCULE-5805071360
NCGC00249082-01
NCGC00259153-01
CAS-503-74-2
EINECS 207-975-3
35915-22-1
7050-EP2286915A2
7050-EP2287153A1
7050-EP2289892A1
7050-EP2292590A2
7050-EP2295417A1
7050-EP2301934A1
7050-EP2305656A1
7050-EP2305675A1
7050-EP2308509A1
7050-EP2308828A2
7050-EP2308848A1
7050-EP2308872A1
7050-EP2314585A1
7050-EP2316829A1
7050-EP2374791A1
MolPort-000-871-620
31567-EP2275401A1
31567-EP2277861A1
31567-EP2298763A1
31567-EP2308858A1
31567-EP2311816A1
31567-EP2311817A1
31567-EP2374790A1
66994-EP2298772A1
66994-EP2308839A1
Butanoic acid, 3-methyl-, (R)-
4-02-00-00895 (Beilstein Handbook Reference)
InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7
IUPAC name3-methylbutanoic acid
SMILESCC(C)CC(=O)O
InchiInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
FormulaC5H10O2
PubChem ID10430
Molweight102.133
LogP1.21
Atoms17
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids esters

mVOC Specific Details

Boiling Point
DegreeReference
176.5 °CPhysProp
176.5 DEG C @ 760 MM HGLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-98
Volatilization
The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated 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 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)
Soil Adsorption
The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
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: 23 (1983)
Vapor Pressure
PressureReference
0.44 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaStaphylococcus Aureusn/aJulak et al., 2003
BacteriaStaphylococcus Aureusmilk of cowsHettinga et al 2010
BacteriaEscherichia Coli O157:H7China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureus ATCC 6538China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaLactobacillus Paracasei LSL 248nanaPogačić et al., 2016
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciuriattract Episyrphus balteatusfrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Intermedius 9Sclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
BacteriaBacteroides FragilisReduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
BacteriaVeillonella Spp.Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
BacteriaActinomyces Europaeusclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaPeptococcus Nigerclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
BacteriaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Intermedia ATCC 25261n/aKurita-Ochiai et al., 1995
BacteriaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
FungiAgaricus BisporusStimulation of spore germination of Agaricus bisporus.Stotzky and Schenk, 1976
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Muscodor AlbusEzra et al. 2005
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium SppEzra et al. 2005
Fungi Polysporus SulfureusEzra et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusVF (peptone, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusGCMS DSQno
BacteriaEscherichia Coli O157:H7Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Aureus ATCC 6538Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaBurkholderia Andropogonis LMG 2129MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaEscherichia Coli OP50MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaLactobacillus Paracasei LSL 248curd-based broth mediumGC/MSYes
BacteriaPseudomonas ChlororaphisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Plymuthica IC14MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri873 liquid mediumSPME-GC/MS
BacteriaStaphylococcus Xylosusn/an/a
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Intermedius 9Sbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri H4286brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ORbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
BacteriaBacteroides Fragilisn/an/a
BacteriaVeillonella Spp.n/an/a
BacteriaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatumn/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptococcus Nigerpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Intermedia ATCC 25261n/an/a
BacteriaPrevotella Loescheiin/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
FungiAgaricus Bisporusn/an/a
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Muscodor Albusno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sppno
Fungi Polysporus Sulfureusno


2-methylfuran

Mass-Spectra

Compound Details

Synonymous names
Methylfuran
alpha-Methylfuran
VQKFNUFAXTZWDK-UHFFFAOYSA-N
Sylvan
Silvan
2methylfuran
Methyl furan
2-METHYLFURAN
AC1L1VYQ
5-Methylfuran
FURAN,METHYL-
.alpha.-Methylfuran
2-Methylfuran, analytical standard
2-Methyl furan
2-METHYL-FURAN
H639
AC1Q2R63
NSC3707
NSC5211
PubChem11230
Silvan [Czech]
UN2301
Furan, methyl-
2-METHYLFURAN,99%,STABILIZED
51O3BGW3F2
CTK1A6077
M0226
RP18394
LS-197
UNII-51O3BGW3F2
CCRIS 2920
LTBB003942
HE020704
AK163149
HE140520
HE140521
HE349545
NSC 3707
NSC-3707
NSC-5211
STL264121
UN 2301
BC001078
CHEMBL1445555
DTXSID9025611
ZINC1666987
CHEBI:88912
ACMC-209l78
A829577
DSSTox_CID_5611
DSSTox_GSID_25611
ANW-31746
TRA0010438
CJ-27020
TRA0074450
AN-21295
KB-25115
WLN: T5OJ B1
Furan, 2-methyl-
MFCD00003248
DSSTox_RID_77854
ZINC01666987
DB-015962
ST24040899
RTC-040019
AI3-24245
J-510050
AKOS000120176
I14-6532
FT-0613043
BRN 0103733
Z940713482
2-Methylfuran, 99%, FG
2-Methylfuran, >=98%, stabilized with BHT
Tox21_200203
F0001-1386
534-22-5
NCGC00257757-01
NCGC00091686-02
NCGC00091686-01
MCULE-3620289319
CAS-534-22-5
EINECS 248-253-8
EINECS 208-594-5
27137-41-3
MolPort-019-317-114
2-Methylfuran [UN2301] [Flammable liquid]
2-Methylfuran [UN2301] [Flammable liquid]
5-17-01-00322 (Beilstein Handbook Reference)
2-Methylfuran, contains 200-400 BHT as stabilizer, 99%
InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H
IUPAC name2-methylfuran
SMILESCC1=CC=CO1
InchiInChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
FormulaC5H6O
PubChem ID10797
Molweight82.102
LogP1.31
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFuran furans ethers heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaThermoactinomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
Fungi Nemcovic et al. 2008
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaThermoactinomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
Fungi no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaStreptomycesYPD agarGCxGC-TOFMSno


Hexadecane

Mass-Spectra

Compound Details

Synonymous names
Hexadecane_RamanathanGurudeeban
HEXADECANE
Hexadekan
DCAYPVUWAIABOU-UHFFFAOYSA-N
hexadecan
Cetane
Zetan
Hexadecane, analytical standard
Cetan
cetyl group
n-Hexadecane
n-Cetane
AC1L1WFB
R16
Pentadecane, methyl-
HEXADECAN-2-YL
F8Z00SHP6Q
U573
Hexadecane, >=99%
KSC271E3R
NSC7334
UNII-F8Z00SHP6Q
ACMC-209lgv
S0288
QSPL 078
S0555
QSPL 116
QSPL 025
CTK1H1238
CHEMBL134994
RP27667
UNII-CI87N1IM01 component DCAYPVUWAIABOU-UHFFFAOYSA-N
Hexadecane, anhydrous, >=99%
UNII-J3N6X3YK96 component DCAYPVUWAIABOU-UHFFFAOYSA-N
HSDB 6854
CCRIS 5833
Reference Material for Flash Point Certified by The Japan Petroleum Institute, Hexadecane
LP002446
LP006564
LP092566
NSC-7334
NSC 7334
DTXSID0027195
STL453674
AK175856
DSSTox_CID_7195
CHEBI:45296
A830206
DSSTox_GSID_27195
SC-81482
CC-29261
TRA0076953
ANW-32093
LS-74826
AN-21365
UNII-FW7807707B component DCAYPVUWAIABOU-UHFFFAOYSA-N
ZINC38141452
MFCD00008998
LMFA11000577
DSSTox_RID_78343
C-28205
ST51056605
AI3-06522
DB-052582
RTR-019265
TR-019265
AKOS025212855
S14-1134
Hexadecane, ReagentPlus(R), 99%
FT-0632360
BRN 1736592
Tox21_300485
n-Hexadecane, 95% 1gal
544-76-3
Hexadecane, Vetec(TM) reagent grade, 98%
NCGC00164132-02
Hexadecane, p.a., 99%
NCGC00254306-01
NCGC00164132-01
CH3-[CH2]14-CH3
EINECS 208-878-9
CAS-544-76-3
MolPort-001-779-919
Hexadecane, purum, >=98.0% (GC)
4-01-00-00537 (Beilstein Handbook Reference)
5166841B-BF92-4A7D-8CEF-0B01B374ED0E
InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H
IUPAC namehexadecane
SMILESCCCCCCCCCCCCCCCC
InchiInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
FormulaC16H34
PubChem ID11006
Molweight226.448
LogP7.58
Atoms50
Bonds49
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for hexadecane is estimated as 21 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00149 mm Hg(1), and water solubility, 2.1X10-5 mg/L(2). This Henry's Law constant indicates that hexadecane 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 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)(3) is estimated as 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is approximately 24 months if adsorption is considered(4). n-Hexadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Taylor & Francis, Washington, DC (1999) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (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 of hexadecane can be estimated to be 53,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that hexadecane is expected to be immobile in soil(SRC). From the experimental value of Freundlich adsorption constants and organic carbon contents in three Canadian soils (Wendover 16.2% OC; Vaudreil 10.0% OC; Grimsby 1.0% OC)(3), Koc values can be estimated to be in the range of approximately 50-400(SRC). The experimental data of other investigators suggest that less than 20% of hexadecane from solution is adsorbed in soil, sludge and sediment(4-6). However, in all the adsorption experiments(3-6), the concentration of hexadecane solution used for the adsorption study far exceeded the aqueous solubility of hexadecane making the results questionable(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 17, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (4) Meyers PA, Quinn JG; Nature 244: 23-4 (1973) (5) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1985) (6) Lee RF; pp. 611-6 in Proc 1977 Oil Spill Conf. New Orleans, LA: American Petroleum Institute (1977)
Vapor Pressure
PressureReference
0.00149 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaCyanobacterian/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/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


Methyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
methylisobutyrate
Methyl methylpropanoate
Methylester kyseliny isomaselne
Methyl isobutanoate
METHYL ISOBUTYRATE
BHIWKHZACMWKOJ-UHFFFAOYSA-N
Methyl methacrylate polymer
Isobutyric acid methyl
Methyl 2-methylpropanoate
Methyl 2-methylpropionate
Methacrylic Acid Methyl Ester Polymer
ISOBUTYRIC ACID METHYL ESTER
AC1L1WHK
Methylester kyseliny isomaselne [Czech]
2-methylpropanoic acid methyl ester
Isobutyric acid, methyl ester
Methyl isobutyrate (natural)
iso butyric acid methyl ester
AC1Q41O5
Poly(D-lactide)
KSC489Q2P
Methyl isobutyrate, 99%
ACMC-209ljh
SCHEMBL66536
M0088
CTK3I9827
I0106
RP18768
ZINC388287
EM286QL922
CS-D1465
OR369397
SBB061111
NSC126780
DTXSID5060275
OR025023
OR035741
WLN: 1Y1&VO1
ZB011405
OR282955
UNII-EM286QL922
CHEBI:73689
Methyl isobutyrate, natural, 98%
A830359
LS-84405
KB-54986
CJ-03189
SC-18496
BP-30192
ANW-32187
AN-45818
Methyl isobutyrate, 99%, FG
MFCD00008914
ZINC00388287
Propanoic acid,2-methyl-, methyl ester
RTR-019363
NSC 126780
NSC-126780
ST51047174
TR-019363
I14-2602
J-522610
AKOS005259719
FT-0628333
FEMA No. 2694
TRA-0191289
BRN 1740720
(CH3)2CHC(O)OCH3
Propanoic acid, 2-methyl-, methyl ester
547-63-7
MCULE-8740211817
EINECS 208-929-5
26161-42-2
Poly(L-lactide) 4.0 dl/g
Poly(L-lactide) 2.0 dl/g
Poly(L-lactide) 1.0 dl/g
106989-11-1
MolPort-002-461-935
MolPort-039-193-748
2-PROPENOIC ACID 2-METHYL- METHYL ESTER HOMOPOLYMER
Poly(methyl methacrylate), MW ~ 550,000 50g
InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H
IUPAC namemethyl 2-methylpropanoate
SMILESCC(C)C(=O)OC
InchiInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
FormulaC5H10O2
PubChem ID11039
Molweight102.133
LogP1.17
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaDyella Sp. AD56nanaTyc et al., 2015
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiTuber Simonea March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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 Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaActinomycetes Spp.n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
FungiTuber SimoneaPressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS


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


Methyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
methylisovalerate
Methyl isovalerianate
Methyl isopentanoate
OQAGVSWESNCJJT-UHFFFAOYSA-N
Methyl isovalerate
Methyl isovalerate, analytical standard
Isovaleric Acid Methyl Ester
Methyl 3-methylbutanoate
Methyl 3-methylbutyrate
Methyl iso-valerate
AC1L1WQS
3-Methylbutanoic acid methyl
Methyl isovalerate (natural)
3-Methylbutanoic acid methyl ester
methyl 3-methyl butanoate
Isovaleric acid, methyl ester
KSC492I1L
UN2400
3-methyl-butyric acid methyl ester
CTK3J2415
METHYL (3-METHYL)BUTANOATE
I0198
SCHEMBL112862
ZINC391144
ACMC-1B229
DTXSID5060300
UN 2400
BBL011395
STL146498
OR019861
LS-2937
ZB011968
OR284399
CHEBI:89832
KB-54994
SC-81704
CJ-03473
AN-45898
ANW-32353
QPS4788198
Methyl isovalerate, >=99%, FG
BB_SC-6790
MFCD00042866
LMFA07010950
ZINC00391144
RT-000613
DB-003722
UNII-QPS4788198
Butanoic acid,3-methyl-, methyl ester
AKOS005721109
BRN 1699922
FEMA No. 2753
FT-0627534
556-24-1
I14-111196
Butanoic acid, 3-methyl-, methyl ester
MCULE-2808202854
Methyl isovalerate, >=98.0% (GC)
Methyl isovalerate [UN2400] [Flammable liquid]
EINECS 209-117-3
MolPort-003-930-982
Methyl isovalerate [UN2400] [Flammable liquid]
4-02-00-00897 (Beilstein Handbook Reference)
InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H
IUPAC namemethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OC
InchiInChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12O2
PubChem ID11160
Molweight116.16
LogP1.35
Atoms20
Bonds19
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters Ester Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptomyces Ciscaucasicus W214potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Ciscaucasicus W47potentially involved in antifungal activityCordovez et al., 2015
BacteriaAchromobacter Xylosoxidans AF411019inhibition of nematicidal activityCow dungXu et al., 2015
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaArthrobacter Nicotianae JQ071518inhibition of nematicidal activityCow dungXu et al., 2015
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaDyella Sp. AD56nanaTyc et al., 2015
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudochrobactrum Saccharolyticum AM180484inhibition of nematicidal activityCow dungXu et al., 2015
BacteriaWautersiella Falsenii AM238687inhibition of nematicidal activityCow dungXu et al., 2015
Fungi Ceratocystis FagacearumLin and Phelan 1992
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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 Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaActinomycetes Spp.n/an/a
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptomyces Ciscaucasicus W214GA-mediumSPME/GC-MS
BacteriaStreptomyces Ciscaucasicus W47GA-mediumSPME/GC-MS
BacteriaAchromobacter Xylosoxidans AF411019liquid LBSPME/GC-MS Yes
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaArthrobacter Nicotianae JQ071518liquid LBSPME/GC-MS Yes
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Saccharolyticum AM180484liquid LBSPME/GC-MS Yes
BacteriaWautersiella Falsenii AM238687liquid LBSPME/GC-MS Yes
Fungi Ceratocystis Fagacearumno
FungiPhialophora Fastigiata ConantDG18GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS


3-methylbut-2-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
Dimethylallyl alcohol
ASUAYTHWZCLXAN-UHFFFAOYSA-N
gamma-Methylcrotyl Alcohol
Prenol
Prenyl alcohol
AC1Q1NVX
AC1L1WRV
3-Methylcrotyl alcohol
AC1Q77UI
3,3-Dimethylallyl alcohol
KSC271Q5L
ACMC-1AZ43
EBD5438
M0714
CTK1H1855
NE10242
RP18453
3-Methyl-2-butenyl alcohol
ZINC897129
C01390
55MY0HM445
3-methylbut-2-enol
3-Methyl-2-butenol
OR035179
NSC158709
DTXSID2027206
OR113460
3,3-Dimethylallyl alcohol, Prenol
STL163363
CHEMBL3184952
LS-2909
BBL011665
UNII-55MY0HM445
DSSTox_CID_7206
CHEBI:16019
3,3-Dimethylallyl alcohol; Prenyl alcohol
A830750
ANW-32368
KB-70950
SC-77150
TRA0070929
DSSTox_GSID_27206
.gamma.,.gamma.-Dimethylallyl alcohol
AJ-24267
AK-48339
AN-23688
DSSTox_RID_78350
ZINC00897129
MFCD00002916
BB_NC-2261
2-Butenol, 3-methyl
LMFA05000106
NSC 158709
RTR-019627
TR-019627
ST24042313
NSC-158709
3-methyl-2-buten-1ol
J-512892
J-003259
I14-6190
AKOS005716671
FT-0616060
FEMA No. 3647
BRN 1633479
Tox21_202234
Tox21_303419
3-Methyl-2-butene-1-ol
3-Methylbut-2-en-1-ol
556-82-1
2-methyl-2-buten-4-ol
3-METHYL-2-BUTEN-1-OL
MCULE-3984123588
NCGC00259783-01
NCGC00257241-01
NCGC00249194-01
EINECS 209-141-4
CAS-556-82-1
3-methyl-2 -buten-1-ol
Methyl-3-but-2-en-1-ol
3-methyl-but-2-en-1-ol
57643-00-2
135146-66-6
MolPort-001-793-102
2-Buten-1-ol, 3-methyl-
3-Methyl-2-buten-1-ol, 99%
3-Methyl-2-buten-1-ol, >=98%, FG
4-01-00-02129 (Beilstein Handbook Reference)
InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H
IUPAC name3-methylbut-2-en-1-ol
SMILESCC(=CCO)C
InchiInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
FormulaC5H10O
PubChem ID11173
Molweight86.134
LogP0.84
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaStaphylococcus Xylosusn/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS


3-methylpentan-2-ol

Mass-Spectra

Compound Details

Synonymous names
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
ZXNBBWHRUSXUFZ-UHFFFAOYSA-
sec-BUTYL METHYLCARBINOL
ACMC-1AOZB
AC1L1WZ5
2-hydroxy-3-methylpentane
SCHEMBL26336
M0850
CTK1H0243
3-Methyl-4-pentanol
NSC92741
ACMC-20m2p7
3-METHYL-2-PENTANOL
3-Methylpentan-2-ol
OR012201
OR129661
Threo-3-methylpentan-2-ol
CHEBI:77520
3-Methyl-pentan-2-ol
NSC-92741
NSC 92741
KB-32719
MFCD00004528
TC-169508
AKOS009156539
FT-0694658
2-Pentanol, 3-methyl-
3-Methyl-2-pentanol (mixture of diastereoisomers)
565-60-6
3-Methyl-2-pentanol, 99%
1502-93-8
EINECS 209-281-6
99212-18-7
2-Pentanol, 3-methyl- (8CI)(9CI)
InChI=1/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
IUPAC name3-methylpentan-2-ol
SMILESCCC(C)C(C)O
InchiInChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
FormulaC6H14O
PubChem ID11261
Molweight102.177
LogP1.59
Atoms21
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Citreusn/an/a


3-methylbutan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Methylisopropylcarbinol
Isopropylmethylcarbinol
MXLMTQWGSQIYOW-UHFFFAOYSA-N
sec-Isoamyl alcohol
ACMC-1AOXT
ACMC-20apgh
ACMC-20apkz
AC1Q76MQ
1,2-Dimethylpropanol
AC1Q1O29
AC1L1Y06
CTK1H1103
M0171
CHEMBL443470
NE10328
OR10026
NSC71162
2-Methyl-3-butanol
3-Methylbutan-2-ol
3-METHYL-2-BUTANOL
OR035256
CHEBI:77517
NSC-71162
KB-32703
ANW-33382
DL-3-Methyl-2-butanol
NSC 71162
MFCD00004527
3-Methyl-butan-2-ol
1,2-dimethylpropan-1-ol
1,2-Dimethyl-1-propanol
TR-020739
AKOS000249588
FEMA No. 3703
FT-0604375
FT-0604412
FT-0604463
(CH3)2CHCH(OH)CH3
I14-49339
2-Butanol, 3-methyl-
598-75-4
(?)-3-Methyl-2-butanol
3-Methyl-2-butanol, 98%
Butan-2-ol, 3-methyl-
EINECS 209-950-2
70116-68-6
MolPort-001-759-244
DL-3-Methyl-2-butanol, >=98%, FG
207703-EP2380568A1
(+/-)-3-Methyl-2-butanol
2-Butanol, 3-methyl-, (S)-
(.+/-.)-3-Methyl-2-butanol
3-Methyl-2-butanol, purum, >=98.0% (GC)
IUPAC name3-methylbutan-2-ol
SMILESCC(C)C(C)O
InchiInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
FormulaC5H12O
PubChem ID11732
Molweight88.15
LogP1.14
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
BacteriaStreptomyces Citreusn/an/a


2-phenylpropan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Phenyldimethylcarbinol
Dimethylphenylcarbinol
Dimethylphenylmethanol
alpha-hydroxyisopropylbenzene
alpha,alpha-Dimethylbenzenemethanol
dimethylphenyl carbinol
Dimethylbenzyl alcohol
alpha-Hydroxycumene
BDCFWIDZNLCTMF-UHFFFAOYSA-N
alpha,alpha-dimethylbenzyl aldohol
alpha,alpha-Dimethylbenzyl alcohol
Dimethyl phenyl carbinol
2-PHENYLISOPROPANOL
2-Phenylisopropyl alcohol
alpha-Cumyl alcohol
1-Hydroxycumene
a,a-dimethylbenzyl alcohol
AC1L1YQL
Benzenemethanol, alpha,alpha-dimethyl-
ACMC-1B5PA
2-Hydroxy-2-phenylpropane
KSC489M5J
Benzenemethanol,.alpha.-dimethyl-
NSC1261
1-Methyl-1-phenylethanol
JE030BGE05
Benzenemethanol, a,a-dimethyl-
.alpha.,.alpha.-Dimethylbenzenemethanol
Z3076
P0213
CTK3I9654
Benzenemethanol, ?,?-dimethyl-
.alpha.-Cumyl alcohol
2-Phenyl-2-propanol
NE10320
SCHEMBL164244
STR08958
Benzyl alcohol, alpha,alpha-dimethyl-
LS11531
2-Phenylpropan-2-ol
HSDB 5718
UNII-JE030BGE05
CHEMBL3185495
AK170429
PS-4036
OR025531
NSC212537
Benzyl alcohol,.alpha.-dimethyl-
NSC-1261
DTXSID3027247
NSC 1261
(1-hydroxy-1-methylethyl)benzene
DSSTox_CID_7247
ZINC1591819
KB-86406
CJ-05598
LS-42910
TL8003951
AN-21973
ANW-33947
.alpha.,.alpha.-Dimethylbenzyl alcohol
SC-89604
CJ-25460
TRA0059269
DSSTox_GSID_27247
2-phenyl-propan-2-ol
MFCD00004456
CHEBI:131607
ZINC01591819
DSSTox_RID_78368
NSC 212537
RTX-011818
AI3-05532
p-(1-hydroxy-1-methylethyl)benzene
NSC-212537
ST51037661
AKOS009158102
W-105093
BRN 1905012
2-Propanol, 2-phenyl-
FT-0613314
I01-10409
ETHOXY, 1-METHYL-1-PHENYL-
Tox21_200449
Benzenemethanol, .alpha.,.alpha.-dimethyl-
617-94-7
2-Phenyl-2-propanol, 97%
NCGC00258003-01
NCGC00248623-01
MCULE-1685813708
EINECS 210-539-5
CAS-617-94-7
Benzyl alcohol, .alpha.,.alpha.-dimethyl-
MolPort-001-759-991
4-06-00-03219 (Beilstein Handbook Reference)
InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H
IUPAC name2-phenylpropan-2-ol
SMILESCC(C)(C1=CC=CC=C1)O
InchiInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
FormulaC9H12O
PubChem ID12053
Molweight136.194
LogP1.9
Atoms22
Bonds22
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-phenylisopropanol is estimated as 3.8X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-phenylisopropanol will be essentially nonvolatile from water surfaces(2,SRC). 2-Phenylisopropanol's vapor pressure, 0.047 mm Hg(3,SRC) indicates that volatilization from dry soil surfaces may occur. However, 2-phenylisopropanol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may not occur(SRC).
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) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)
Solubility
INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-52
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 2-phenylisopropanol can be estimated to be about 36(SRC). The Koc of 2-phenylisopropanol can also be estimated to be approximately 274(SRC), using an estimated log Kow of 1.95(2,SRC) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these estimated Koc values suggest that 2-phenylisopropanol has very high to medium mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.52 mm Hg at 37.8 deg CYaws CL; Handbook of Vapor Pressure Vol 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co pg 127 (1994)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomycete Sp.n/aSchulz and Dickschat, 2007
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomycete Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no


Methyl Butanoate

Mass-Spectra

Compound Details

Synonymous names
UUIQMZJEGPQKFD-UHFFFAOYSA-N
Methyl butanoate
Methyl butyrate
methyl 3-methylpropionate
Methyl butyrate, analytical standard
Methyl n-butanoate
Butyric acid methyl
Nat.Methyl Butyrate
Butanoicacid, methyl ester
Butanoic acid methyl ester
METHYL N-BUTYRATE
Methyl-n-butyrate
Butyric acid methyl ester
AC1L1Z0X
Methyl ester of butanoic acid
n-Butyric acid methyl ester
Butyric acid, methyl ester
Butanoic acid, methyl ester
Methyl butyrate (natural)
KSC492E1L
n-C3H7COOCH3
NSC9380
CHEMBL15859
SCHEMBL13685
UN1237
B0763
CTK3J2215
S0302
ACMC-209t4w
NE61132
RP18773
Methyl butyrate, 99%
ZINC404765
HSDB 5721
WLN: 3VO1
CGX598508O
DTXSID5047083
Methyl butyrate, certified reference material, TraceCERT(R)
SBB061104
OR010874
LS-2914
NSC 9380
NSC-9380
ZB013579
UN 1237
CHEBI:88806
UNII-CGX598508O
TRA0052853
SC-74735
CJ-04054
ANW-42030
TL8004117
DSSTox_GSID_47083
AN-22009
n-Butyric acid methyl ester [standard material]
KB-54743
MFCD00009391
ZINC00404765
DSSTox_CID_27083
DSSTox_RID_82095
LMFA07010528
Methyl butyrate, >=98%, FG
RTR-021432
ST51047170
TR-021432
AI3-06009
AKOS008907317
J-522595
FT-0628708
FEMA No. 3693
FEMA No. 2693
BRN 1740743
I14-19354
Tox21_301821
Methyl butyrate, natural, >=98%, FG
623-42-7
NCGC00256040-01
MCULE-1092030267
CAS-623-42-7
EINECS 210-792-1
Methyl butyrate [UN1237] [Flammable liquid]
WE(1:0/4:0)
MolPort-003-927-474
36683-EP2311803A1
Methyl butyrate [UN1237] [Flammable liquid]
36683-EP2371814A1
36683-EP2311802A1
36683-EP2311801A1
36683-EP2305825A1
36683-EP2305642A2
4-02-00-00786 (Beilstein Handbook Reference)
5ADC8486-F8C0-4A7A-ACD5-2234D52DE6E0
InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H
IUPAC namemethyl butanoate
SMILESCCCC(=O)OC
InchiInChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10O2
PubChem ID12180
Molweight102.133
LogP1.07
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl n-butyrate is 2.05X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl n-butyrate 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 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 5 days(SRC). Methyl n-butyrate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl n-butyrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 32.3 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-89 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Pub Co (1994)
Soil Adsorption
The Koc of methyl n-butyrate is estimated as 120(SRC), using a log Kow of 1.29(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl n-butyrate is expected to have high mobility in soil(SRC).
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
32.3 mm Hg @ 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Ciscaucasicus W214potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Ciscaucasicus W47potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/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 Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
BacteriaActinomycetes Spp.n/an/a
BacteriaStreptomyces Ciscaucasicus W214GA-mediumSPME/GC-MS
BacteriaStreptomyces Ciscaucasicus W47GA-mediumSPME/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson'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 Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS


(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
Methyldisulfanylmethane
Methyldithiomethane
dimethyldisulphide
Dimethyldisulfide
methyldisulfanyl methane
Methyldisulfide
Dimethyl disulphide
WQOXQRCZOLPYPM-UHFFFAOYSA-N
Dimethyl disulfide
methyl disulphide
Disulfide dimethyl
METHYL DISULFIDE
(Methyldisulfanyl)methane
DMDS
Sulfa-hitech
Dimethyl disulfide, analytical standard
(Methyldithio)methane
(Methyldisulfanyl)methane #
Disulfide, dimethyl
AC1Q4HER
AC1Q4HEQ
1,2-Dimethyldisulfane
PubChem9665
Dimethyl disulfide, >=99%
AC1L1Z53
2,3-Dithiabutane
Dimethyl disulfide, 99%
NSC9370
UN2381
Dimethyl disulfide, 98%
HMDB05879
D0714
CTK2F3131
RP18575
CHEBI:4608
CCRIS 2939
C08371
BDBM233038
Methyl disulfide (8CI)
WLN: 1SS1
3P8D642K5E
HSDB 6400
LS-1499
DTXSID4025117
NSC 9370
NSC-9370
OR000230
OR291634
CHEMBL1347061
Sulfa-hitech 0382
UN 2381
(1/4)x>>u paragraph signthornAoAN
(CH3S)2
UNII-3P8D642K5E
ZINC8221057
A833808
Dimethyl disulfide, >=99.0%
DSSTox_CID_5117
KB-76616
AN-22028
TL8004165
Dimethyl disulfide, >=98%, FG
DSSTox_GSID_25117
DSSTox_RID_77673
MFCD00008561
AI3-25305
TR-021489
RTR-021489
I09-0129
Q-100719
AKOS009157459
FEMA No. 3536
FT-0625135
METHYL, [(THIOMETHYL)THIO]-
Dimethyl disulfide, natural, >=98%, FG
EN300-36043
Tox21_201525
F0001-1676
624-92-0
NCGC00259075-01
NCGC00091798-02
NCGC00091798-01
MCULE-7451882535
EINECS 272-923-9
CAS-624-92-0
Dimethyl disulfide [UN2381] [Flammable liquid]
EINECS 210-871-0
Dimethyl disulfide [UN2381] [Flammable liquid]
MolPort-003-929-787
Dimethyl disulfide, purum, >=98.0% (GC)
224638-EP2371831A1
InChI=1/C2H6S2/c1-3-4-2/h1-2H
IUPAC name(methyldisulfanyl)methane
SMILESCSSC
InchiInChI=1S/C2H6S2/c1-3-4-2/h1-2H3
FormulaC2H6S2
PubChem ID12232
Molweight94.19
LogP1.35
Atoms10
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide 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 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)
Vapor Pressure
PressureReference
28.7 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.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaActinomycetes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAeromonas VeroniiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAlcaligenes Faecalisn/aZou et al., 2007
BacteriaAlcaligenes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nitroguajacoliusn/aZou et al., 2007
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus ATCC 14570American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus Polymyxa ATCC 842American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaCitrobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaDyella Sp. AD56nanaTyc et al., 2015
BacteriaEnterobacter Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaEnterococcus Durans ATCC 19432American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterococcus Faecium ATCC 19434American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Colin/aSiripatrawan et al., 2008
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaKlebsiella Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus BrevisThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus HilgardiiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Lactis ATCC 11955American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus PlantarumThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLeuconostoc Mesenteroides ATCC 8086American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaLysobacter Gummosusn/aZou et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaOenococcus OeniThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphis 450bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2106reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica PRI-2Cstimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 94bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansspoiled meatPopova et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaSporosarcina Ginsengisolin/aZou et al., 2007
BacteriaStaphylococcus Aureusn/aElgaali et al., 2002
BacteriaStenotrophomonas Maltophilian/aZou et al., 2007
BacteriaStreptococcus Agalactiae ATCC 27541American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptococcus Thermophilus ATCC 14485American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
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 LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
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.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
Fungi Fusarium Sp.Brock et al. 2012
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Fungi Penicillium Sp.Larsen 1999
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250naCantal cheesePogačić et al., 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Aeruginosa ATCC 10145nasoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fnasoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaSerratia Liquefaciens SM 1302nasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaPseudomonas AeruginosaclinicPreti., 2009
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Clavigerumcompost Fischer et al. 2067
FungiTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaAeromonas Veroniin/an/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlcaligenes Spp.n/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus ATCC 14570TS brothGC-MS SPMEyes
BacteriaBacillus Polymyxa ATCC 842TS brothGC-MS SPMEyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaBurkholderia Terricola LMG 20594LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaBurkholderia Xenovorans LMG 21463LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCitrobacter Sp.n/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCupriavidus Necator LMG 1199MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaEnterobacter Spp.n/an/a
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaEnterococcus Faecium ATCC 19434TS brothGC-MS SPMEyes
BacteriaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaKlebsiella Oxytocan/an/a
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Brevisn/an/a
BacteriaLactobacillus Hilgardiin/an/a
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaLimnobacter Thiooxidans LMG 19593AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaOenococcus Oenin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPandoraea Norimbergensis LMG 18379LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa PUPa3LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2106King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSerratia Entomophilia A1MO2LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescensn/an/a
BacteriaSerratia Marcescens MG1LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo
BacteriaSerratia Proteamaculans B5aLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Sp.n/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStaphylococcus AureusTS brothHS-SPME/GC-MS
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptococcus Agalactiae ATCC 27541TS brothGC-MS SPMEyes
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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 Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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 Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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 Lateritiusn/an/a
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 Olivaceus ETH 6445Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
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.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 Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
FungiAspergillus Versicolor TiraboschiDG18GC/MS
Fungi Fusarium Sp.no
FungiPenicillium Commune PittMEAGC/MS
Fungi Penicillium Sp.no
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia Colitryptone, yeast extractGC-MS (SPB-5)no
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250curd-based broth mediumGC/MSYes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus AureusTS brothGC-FIDno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
FungiTuber BorchiiNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


Tetradecane

Mass-Spectra

Compound Details

Synonymous names
Tetradecane_GurudeebanSatyavani
Tetradekan
Tetradecane
Tetradecane olefine
myristyl
BGHCVCJVXZWKCC-UHFFFAOYSA-N
N-TETRADECANE
Tetradecane, analytical standard
n-Teradecane
AC1L1ZHO
Tridecane, methyl-
Tetradecane, >=99%
Tetradecane, 99%
KSC352S3D
U012
ACMC-1B07Q
C14H30
S0286
CCRIS 715
CTK2F2931
CHEMBL135488
NSC72440
Tetradecane, certified reference material, TraceCERT(R)
LTBB002873
HSDB 5728
n-TETRADECANE, 99%
DTXSID1027267
STL280540
LP005503
LP100448
AK113059
UNII-114P5I43UJ component BGHCVCJVXZWKCC-UHFFFAOYSA-N
ZINC1698519
CHEBI:41253
DSSTox_CID_7267
DSSTox_GSID_27267
CC-33172
NSC 72440
NSC-72440
AN-22062
TL8004330
ANW-34473
TRA0013192
SC-74492
03LY784Y58
DSSTox_RID_78378
LMFA11000586
MFCD00008986
C-28195
UNII-FW7807707B component BGHCVCJVXZWKCC-UHFFFAOYSA-N
ST24031875
RTR-021669
DB-054348
AI3-04240
LS-148888
TR-021669
KB-260941
UNII-03LY784Y58
Alkanes, C14-16
Alkanes, C14-30
AKOS004910010
Paraffinic hydrocarbons (C14-C30)
BRN 1733859
FT-0632717
FT-0632666
I14-99197
Tox21_303277
I14-101364
629-59-4
n-Tetradecane, 99% 25g
NCGC00257151-01
MCULE-7442374993
CAS-629-59-4
EINECS 292-448-0
EINECS 211-096-0
CH3-[CH2]12-CH3
90622-46-1
74664-93-0
MolPort-003-665-072
Tetradecane, olefine free, >=99.0% (GC)
4-01-00-00520 (Beilstein Handbook Reference)
C72FCDE9-545A-4C7D-9907-1DFACCF43A82
IUPAC nametetradecane
SMILESCCCCCCCCCCCCCC
InchiInChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
FormulaC14H30
PubChem ID12389
Molweight198.394
LogP6.69
Atoms44
Bonds43
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for n-tetradecane is estimated as 11.9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.015 mm Hg(1), and water solubility, 0.00033 mg/L(2). This Henry's Law constant indicates that n-tetradecane 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 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)(3) is estimated as 5.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 28 months if adsorption is considered(4). n-Tetradecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Tetradecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 95th ed. Boca Raton, FL: CRC Press LLC, p. 15-21 (2014) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (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)
Solubility
In water, 3.3X10-4 mg/L at 25 deg C
Literature: Coates M et al; Environ Sci Technol 19: 628-32 (1985)
Literature: #Very soluble in 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. 3-498
Literature: #Soluble in alcohol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1218
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-tetradecane can be estimated to be 16,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-tetradecane is expected to be immobile in soil. Laboratory soil column elution experiments showed that the percent of n-tetradecane adsorbed to three different native soil types ranged from 2.2-5.98%(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1983)
Vapor Pressure
PressureReference
0.015 mm Hg at 25 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 15-21
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
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
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Putida BP25Luria Bertani AgarSolvent extraction with hexane, GC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/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
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber MelanosporumNoneNoneYes


6-heptyloxan-2-one

Mass-Spectra

Compound Details

Synonymous names
delta-Dodecanolactone
Delta Dodecalactone
DELTA-DODECALACTONE
QRPLZGZHJABGRS-UHFFFAOYSA-
delta-Laurolactone
QRPLZGZHJABGRS-UHFFFAOYSA-N
delta-Heptyl-delta-valerolactone
delta-Dodecalactone, analytical standard
n-Heptyl-delta-valerolactone
5-Dodecalactone
5-Dodecanolide
5-Hydroxydodecanoic acid lactone
Nat. Delta Dodecalactone
.delta.-Dodecalactone
delta-Dodecalactone (natural)
Dodecan-5-olide
6-heptyltetrahydropyran-2-one
AC1L20HD
ACMC-20mbxj
P267
Dodecanolide-1,5
dl-6-heptyltetrahydropyran-2-one
OR6022
n-Heptyl-.delta.-valerolactone
HSDB 292
6-Heptyl-tetrahydropyran-2-one
SCHEMBL114922
6-heptyloxan-2-one
6-heptyl-2-oxanone
ST096793
STL373783
LP002950
LS-2705
SBB071496
DTXSID9047596
BBL027600
AK307595
6-heptyl-tetrahydro-pyran-2-one
5-Dodecanolide, 99%
A837171
TL8006626
AN-22108
SC-74597
delta-Dodecalactone;6-Heptyltetrahydro-2H-pyran-2-one
delta-Dodecalactone, >=97%, FG
LMFA07040040
MFCD00006651
ZX-AT004880
.delta.-Heptyl-.delta.-valerolactone
5-Hydroxydodecanoic acid, .delta.-lactone
6-Heptyltetrahydro-2H-pyran-2-one
BB_NC-2030
C-30749
TR-023491
AI3-36030
AKOS015915485
W-109596
BB_NC-02030
I14-5958
FEMA No. 2401
FT-0624502
Dodecanoic acid, 5-hydroxy-, delta-lactone
2H-Pyran-2-one,6-heptyltetrahydro-
713-95-1
3051-22-7
2H-Pyran-2-one, tetrahydro-6-heptyl
2H-Pyran-2-one, 6-heptyltetrahydro-
MCULE-4837230476
EINECS 211-932-4
delta-Dodecalactone, mixture of isomers, natural, >=98%, FG
EC 211-932-4
Dodecanoic acid, 5-hydroxy-, .delta.-lactone
MolPort-002-638-710
6-heptyl-3H-4,5,6-trihydropyran-2-one
2H-Pyran-2-one, 6-heptyltetrahydro-, (S)-
InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
IUPAC name6-heptyloxan-2-one
SMILESCCCCCCCC1CCCC(=O)O1
InchiInChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
FormulaC12H22O2
PubChem ID12844
Molweight198.306
LogP3.76
Atoms36
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone

mVOC Specific Details

Solubility
INSOL IN WATER
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
Literature: #SOL IN ETHANOL; POORLY SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 155
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


3-methylbut-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
Isobutenylcarbinol
Methallylcarbinol
Isopropenylethyl alcohol
isopentenyl alcohol
Methallyl carbinol
Isoprenol
CPJRRXSHAYUTGL-UHFFFAOYSA-N
3-Isopentenyl alcohol
KJ25C8CPFA
AC1L20SH
UNII-KJ25C8CPFA
AC1Q1J51
Delta(3)-isopentenyl alcohol
M0726
CTK2H8203
NE10247
3-methyl-3-butenyl alcohol
3-methyl-3-butenol
DTXSID4052506
NSC122673
OR035180
STL146351
BBL027415
CHEMBL3561140
ZINC1712065
CHEBI:62898
ACMC-209p31
A838675
ANW-36779
SC-28771
LS-47241
DSSTox_GSID_52506
TL8005214
LMFA05000107
ZINC01712065
MFCD00002933
DSSTox_CID_31079
BB_NC-2269
NSC 122673
NSC-122673
TR-024456
RTR-024456
2-methyl-1-buten-4ol
I14-6195
AKOS005721136
FT-0616079
2-methyl-4-hydroxy-1-butene
2-methyl-4-hydroxybut-1-ene
3-methyl-3-butene-1-ol
Tox21_303733
EN300-94630
3-Methylbut-3-en-1-ol
763-32-6
3-METHYL-3-BUTEN-1-OL
2-Methyl-1-buten-4-ol
NCGC00357042-01
CAS-763-32-6
EINECS 212-110-8
Methyl-3-but-3-en-1-ol
3-methyl-but-3-en-1-ol
MolPort-003-926-226
3-Buten-1-ol, 3-methyl-
3-Methyl-3-buten-1-ol, >=97%
3-Methyl-3-buten-1-ol, 97%
3-Methyl-3-buten-1-ol, purum, >=98.0% (GC)
IUPAC name3-methylbut-3-en-1-ol
SMILESCC(=C)CCO
InchiInChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
FormulaC5H10O
PubChem ID12988
Molweight86.134
LogP0.74
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStreptomyces ántibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaStaphylococcus Sciuri868 liquid mediumSPME-GC/MS
BacteriaStreptomyces ántibioticus CBS 659.68n/an/a
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus IFO 13014n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
FungiAspergillus OrnatusPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicolor TiraboschiDG18GC/MS
BacteriaStaphylococcus Xylosusn/an/a
BacteriaStreptomyces Albusn/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a


Nonan-2-one

Mass-Spectra

Compound Details

Synonymous names
VKCYHJWLYTUGCC-UHFFFAOYSA-N
Nonanone
beta-Nonanone
Methyl heptyl ketone
Heptyl methyl ketone
AC1Q2VVN
2-NONANONE
NONANONE-2
Ketone, heptyl methyl
n-HEPTYL METHYL KETONE
METHYL N-HEPTYL KETONE
ZE5K73YN2Z
2-Nonanone, analytical standard
KSC220E7J
AC1L217X
.beta.-Nonanone
Nonan-2-one
ACMC-209pnb
UNII-ZE5K73YN2Z
N0293
CTK1C0274
SCHEMBL103970
n-C7H15COCH3
NE10665
NSC14760
RL05133
SCHEMBL626185
WLN: 7V1
SBB061540
DTXSID2022125
CHEMBL2228473
SCHEMBL4089642
STL146543
BBL011435
2-Nonanone (natural)
LS-2987
AK325631
LP084665
ZINC1653216
A840259
CHEBI:77927
DSSTox_CID_2125
KB-25771
AN-20502
ANW-37509
TRA0044632
NSC-14760
NSC 14760
DSSTox_GSID_22125
2-Nonanone, >=99%
LMFA12000052
MFCD00009553
BB_SC-6918
RTR-025712
ST51047545
TR-025712
AKOS005720803
I14-4192
FEMA No. 2785
FT-0658401
BRN 1743645
EN300-19772
Tox21_303845
821-55-6
NCGC00357115-01
MCULE-9635928766
EINECS 212-480-0
CAS-821-55-6
30642-09-2
2-Nonanone, >=99%, FCC, FG
MolPort-001-787-669
2-Nonanone, natural, >=97%, FCC, FG
InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H
IUPAC namenonan-2-one
SMILESCCCCCCCC(=O)C
InchiInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
FormulaC9H18O
PubChem ID13187
Molweight142.242
LogP3.03
Atoms28
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAcinetobacter Johnsonii ATCC 9036American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
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
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCarnobacterium Maltaromaticumn/aErcolini et al., 2009
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaCitrobacter Freundii ATCC 33128American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaCorynebacterium Accolens V12028clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12131clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12209clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Minutissimum ATCC 23348clinical isolate,trunk of adult femaleLemfack et al. 2016
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaEnterobacter Aerogenes ATCC 13048American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Aerogenes KY2American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Cloacae ATCC 13047American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Colin/aSiripatrawan et al., 2008
BacteriaEscherichia Coli ATCC 25922American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli O157:H7China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaKlebsiella Pneumoniaen/aElgaali et al., 2002
BacteriaLactobacillus Lactis ATCC 11955American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus Rhamnosus LSL 212nanaPogačić et al., 2016
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaPseudomonas Brassicacearum USB2101reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Brassicacearum USB2102reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
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
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Chlororaphis 450inhibits growth of Agrobacterium tumefaciens C58, Synechococcus sp. PCC 7942 and Rhizoctonia solani, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaPseudomonas Fluorescens ATCC 13525American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaSchewanella Putrefaciens ATCC 8071American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Liquefaciens SM 1302nasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaShigella Flexneri CGCMCC 1.1868China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaShigella Sonnei ATCCV 25931American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStreptococcus Thermophilus ATCC 14485American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaSerratia Sp.Might be involved in inhibition of fungal growth.Schulz and Dickschat, 2007
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiTrichoderma Aureoviride IMI 91968n/aA.Bruce et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAcinetobacter Johnsonii ATCC 9036TS brothGC-MS SPMEyes
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
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
BacteriaBurkholderia Andropogonis LMG 2129LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216 LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196 LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822 LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594 LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCarnobacterium Maltaromaticumn/an/a
BacteriaChromobacterium Violaceum CV0 LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCitrobacter Freundii ATCC 33128TS brothGC-MS SPMEyes
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaCorynebacterium Accolens V12028brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12131brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12209brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Minutissimum ATCC 23348brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaEnterobacter Aerogenes ATCC 13048TS brothGC-MS SPMEyes
BacteriaEnterobacter Aerogenes KY2TS brothGC-MS SPMEyes
BacteriaEnterobacter Cloacae ATCC 13047TS brothGC-MS SPMEyes
BacteriaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS
BacteriaEscherichia Coli ATCC 25922TS brothGC-MS SPMEyes
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaEscherichia Coli O157:H7Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaEscherichia Coli OP50MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Rhamnosus LSL 212curd-based broth mediumGC/MSYes
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaPandoraea Norimbergensis LMG 18379LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2101King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2102King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Chlororaphis LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaPseudomonas Fluorescens ATCC 13525TS brothGC-MS SPMEyes
BacteriaPseudomonas Fluorescens WCS 417r LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Putida ISOf LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaSchewanella Putrefaciens ATCC 8071TS brothGC-MS SPMEyes
BacteriaSerratia Entomophilia A1MO2LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaSerratia Marcescensn/an/a
BacteriaSerratia Marcescens MG1LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaShigella Flexneri CGCMCC 1.1868Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaShigella Sonnei ATCCV 25931TS brothGC-MS SPMEyes
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStenotrophomonas Rhizophilla Ep10-p69LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomyces Lateritiusn/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiTuber IndicumYes
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaSerratia Sp.n/an/a
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiPenicillium SpinulosumGC-MSno
FungiTrichoderma Aureoviride IMI 91968low nutrient media (containing phenylalanin)T. aureoviride was cultured on low nutrient media (LNM) containing phenylalanine. LNM had a carbon:nitrogen ratio similar to that typically found in wood. The cultures were covered and incubated for 7 days at 25°C.


Compound Details

Synonymous names
Isolongipholene
Isolongifolene
trans-Isolongifolene
CQUAYTJDLQBXCQ-UHFFFAOYSA-N
AC1L2T2C
(-)-Isolongifoline
PL001072
AN-48692
AKOS015901700
FT-0694511
I14-14688
2,3A-ethanoindan, 3a,4,5,6-tetrahydro-1,1,4,4-tetramethyl-
2,2,7,7-TETRAMETHYLTRICYCLO[6.2.1.0(1),?]UNDEC-5-ENE
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S-cis)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
IUPAC name
SMILESCC1(CCC=C2C13CCC(C3)C2(C)C)C
InchiInChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3
FormulaC15H24
PubChem ID102562
Molweight204.357
LogP4.11
Atoms39
Bonds41
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiCU Fusarium Oxysporum Oxysporum MSA 35the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsMinerdi et al., 2009
FungiFusarium Oxysporum MSA 35long-distance antagonistic actionMinerdi et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiCU Fusarium Oxysporum Oxysporum MSA 35complete medium (CM)SPME/GC-MS
FungiFusarium Oxysporum MSA 35PDA/CMCAR/PDMS GCMSno