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Species: Lactobacillus paracasei CIRM849
Signature
Butanoic Acid
Mass-Spectra
Compound Details
Synonymous names
propanecarboxylate
Buttersaeure
Propanecarboxylic acid
butanate
butanoate
butyrate
FERIUCNNQQJTOY-UHFFFAOYSA-N
propylformic acid
1-propanecarboxylate
acide butanoique
acide butyrique
Ethyacetic Acid
ethylacetic acid
Kyselina maselna
butanoic acid
BUA
Butanic acid
butoic acid
butyric acid
BUTYRIC_ACID
Honey robber
NATURAL BUTYRIC ACID
1-propanecarboxylic acid
1ugp
3umq
AC1Q2UNL
ethyl acetic acid
Sodium n-butyrate
1-butanoate
1-butyrate
2-butanoate
Butyric acid, analytical standard
n-Butanoic acid
n-Butyric acid
Buttersaeure [German]
Butyrate, sodium salt
1-butanoic acid
AC1L18UM
1-Butyric acid
n-C3H7COOH
Nat. Butyric Acid
GTPL1059
Kyselina maselna [Czech]
ACMC-1C12J
Butyric acid (natural)
CHEMBL14227
NSC8415
TNFa + Sodium Butyrate
UN2820
40UIR9Q29H
B0754
BDBM26109
butanoic acid, 4
Butyric Acid (Normal)
C4:0
CTK0H6694
HMDB00039
HSDB 940
TNFa + NaBut
V2319
WLN: QV3
Butyric acid, >=99%
DB03568
LS-443
RL00334
bmse000402
C00246
CCRIS 6552
LTBB001653
UNII-40UIR9Q29H
ZINC895132
DTXSID8021515
FEMA Number 2221
LP066716
N-butyric acid, ethyl acetic acid
NSC 8415
NSC-8415
OR034221
OR199535
OR253313
STL169349
UN 2820
CHEBI:30772
DSSTox_CID_1515
PROPYL, 3-CARBOXY-
AN-42840
ANW-15867
BP-21420
CCG-35836
DSSTox_GSID_21515
KB-48536
NCIMech_000707
SC-11907
DSSTox_RID_76192
LMFA01010004
MFCD00002814
AI3-15306
RTR-001881
TR-001881
AKOS000118961
Butyric acid, >=99%, FG
W-108732
Bio1_000444
Bio1_000933
Bio1_001422
BRN 0906770
FEMA No. 2221
FT-0623295
FT-0686717
C4:0 (Lipid numbers)
CH3-[CH2]2-COOH
I14-10596
Z955123634
NCI60_001424
Tox21_202382
Tox21_300164
107-92-6
F2191-0094
1977-33-9
MCULE-4116382006
NCGC00247914-01
NCGC00247914-02
NCGC00253919-01
NCGC00259931-01
Butyric acid, 99% 100ml
CAS-107-92-6
EINECS 203-532-3
Butyric acid, SAJ special grade, >=99.5%
Butyric acid [UN2820] [Corrosive]
Butyric acid, natural, >=99%, FCC, FG
MolPort-001-769-669
24113-EP2272827A1
24113-EP2275401A1
24113-EP2281819A1
24113-EP2284146A2
24113-EP2284147A2
24113-EP2292611A1
24113-EP2292619A1
24113-EP2298763A1
24113-EP2298772A1
24113-EP2305633A1
24113-EP2305659A1
24113-EP2305808A1
24113-EP2308839A1
24113-EP2311810A1
24113-EP2311818A1
24113-EP2311825A1
24113-EP2311840A1
24113-EP2314590A1
24113-EP2380661A2
31560-EP2292597A1
31560-EP2295053A1
31560-EP2308858A1
31560-EP2311816A1
31560-EP2311817A1
81544-EP2275407A1
81544-EP2305687A1
81544-EP2305808A1
81544-EP2305825A1
Butyric acid [UN2820] [Corrosive]
butanoic acid, butanic acid, n-butyric acid, ethylacetic acid, propylformic acid, 1-propanecarboxylic acid
4-02-00-00779 (Beilstein Handbook Reference)
9B27B3D0-9643-40EC-9A5F-7CA1A6ED7F9F
InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6
IUPAC name
butanoic acid
SMILES
CCCC(=O)O
Inchi
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
Formula
CH
3
CH
2
CH
2
COOH
PubChem ID
264
Molweight
88.106
LogP
0.92
Atoms
14
Bonds
13
H-bond Acceptor
2
H-bond Donor
1
Chemical Classification
Acids
carboxylic acids
mVOC Specific Details
Volatilization
The Henry's Law constant for n-butanoic acid is measured as 5.35X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-butanoic acid 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 64 days(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 471 days(SRC). A pKa of 4.82(3) indicates n-butanoic 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(4). n-Butanoic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Butanoic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65 mm Hg(5).
Literature:
(1) Butler JAV, Ramchandani CN; The Solubility of Non-Electrolytes. Part 2. J Chem Soc pp. 1952-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2 pp. 1325 (1986) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (5) Lide DR, ed; CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press (1995)
Soil Adsorption
The Koc of n-butanoic acid is estimated as 64(SRC), using a log Kow of 0.79(1) and a regression-derived equation(2). Experimental Koc values for n-butanoic acid on a clastic mud (3.5% organic carbon), a lateritic muddy sand (1.3% organic carbon), and a fine carbonate sand (0.17% organic carbon) were 19.1, 27.6, and 14.7, respectively(3). According to a classification scheme(4), these estimated and experimental Koc values suggest that n-butanoic acid is expected to have very high to high mobility in soil. The percent of n-butanoic acid sorbed to a kalonite or montmorillonite clay at 22 deg C was 14.0% and 19.9% after 48 hours, respectively, which increased to 31.4% and 24.2%, respectively, after 144 hours(5). In a field study in which 100 ppm n-butanoic acid was injected underground, the retardation, relative to the linear ground-water velocity, was calculated to be 3%(6). N-butanoic acid is listed as a compound displaying an L-type adsorption isotherm, indicating that specific binding sites may be involved(7). Experimental studies in indicate that adsorption of n-butanoic acid to moist soil is dominated by attractive forces between the compound and soil and not by hydrophobic interactions(8). The pKa of n-butanoic acid is 4.82(9), indicating that this compound will primarily exist in the anion in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(10).
Literature:
(1) Sansone FJ et al; Geochim Cosmochim Acta 51: 1889-96 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Hemphill L et al; Proc 18th Indust Waste Conf 18: 204-17 (1964) (4) Sutton PA, Barker JF; Ground Water 23: 10-6 (1985) (5) Weber JB, Miller CT; Reactions and Movement of Organic Chemicals in Soils, SSSA Spec Publ No. 22: 305-33 (1989) (6) Ulrich H et al; Env Sci Tech 22: 37-41 (1988) (7) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2:pp. 1325 (1986) (8) 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
Pressure
Reference
1.65 mm Hg at 25 deg C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 6-85
MS-Links
MS-MS Spectrum 2630 - EI-B (HITACHI RMU-7M) Positive
MS-MS Spectrum 66 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 19870
MS-MS Spectrum 67 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 68 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 21419
MS-MS Spectrum 21421
MS-MS Spectrum 2632 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 21420
MS-MS Spectrum 2634 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 19869
MS-MS Spectrum 2631 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 19868
MS-MS Spectrum 2633 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
1D-NMR-Links
1D NMR Spectrum 5026
1D NMR Spectrum 5025
1D NMR Spectrum 1047 - Varian 500 MHz 1H NMR
1D NMR Spectrum 2112 - JEOL 90 MHz 1H NMR
1D NMR Spectrum 1124 - Bruker 400 MHz 13C NMR
1D NMR Spectrum 2805 - NEVA 15.09 MHz 13C NMR
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Escherichia Coli
n/a
Tait et al., 2014
Bacteria
Klebsiella Pneumoniae
n/a
Tait et al., 2014
Bacteria
Lactobacillus Casei NCIB 8010
n/a
Tracey and Britz, 1989
Bacteria
Lactobacillus Paracasei CIRM849
na
Majorero cheese
PogaÄić et al., 2016
Bacteria
Lactobacillus Plantarum NCIB 6376
n/a
Tracey and Britz, 1989
Bacteria
Lactococcus Lactis DSM 20202
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Cremoris DSM 20346
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Dextranicum DSM 20484
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Mesenteroides DSM 20343
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos B66
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 19
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 30
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 36
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 37D
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 7B
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20252
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20255
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20257
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos Lc5x
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Paramesenteroides DSM 20288
n/a
Tracey and Britz, 1989
Bacteria
Pediococcus Damnosus DSM 20331
n/a
Tracey and Britz, 1989
Bacteria
Staphylococcus Aureus
n/a
Tait et al., 2014
Bacteria
Staphylococcus Sciuri
induced E. balteatus oviposition
from the gut flora of pea aphid Acyrthosiphon pisum honeydew
Leroy et al., 2011
Bacteria
Staphylococcus Sp.
n/a
Schulz and Dickschat, 2007
Fungi
Polysporus Sulfureus
Holighaus et al. 2015
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Actinomyces Naeslundii
clinical exudates
Julak et al. 2003
Bacteria
Clostridium Bifermentans
clinical exudates
Julak et al. 2003
Bacteria
Clostridium Butyricum
n/a
Wiggins et al., 1985
Bacteria
Clostridium Cadaverum
n/a
Wiggins et al., 1985
Bacteria
Clostridium Fallax
n/a
Wiggins et al., 1985
Bacteria
Clostridium Perfringens
clinical exudates
Julak et al. 2003
Bacteria
Clostridium Septicum
clinical exudates
Julak et al. 2003
Bacteria
Clostridium Sp.
n/a
Stotzky and Schenk, 1976
Bacteria
Clostridium Sporogenes
n/a
Wiggins et al., 1985
Bacteria
Clostridium Tertium
n/a
Wiggins et al., 1985
Bacteria
Coagulase Negative Staphylococci
milk of cows
Hettinga et al 2010
Bacteria
Enterobacter Cloacae
clinical exudates
Julak et al. 2003
Bacteria
Escherichia Coli
milk of cows
Hettinga et al 2010
Bacteria
Eubacterium Lentum
clinical exudates
Julak et al. 2003
Bacteria
Fusobacterium Necrophorum
clinical exudates
Julak et al. 2003
Bacteria
Fusobacterium Nucleatum
Inhibition of proliferation and cytokine production in Lymphocyte cells.
Kurita-Ochiai et al., 1995
Bacteria
Fusobacterium Nucleatum ATCC 23726
n/a
Kurita-Ochiai et al., 1995
Bacteria
Fusobacterium Nucleatum ATCC 33568
n/a
Kurita-Ochiai et al., 1995
Bacteria
Fusobacterium Simiae
clinical exudates
Julak et al. 2003
Bacteria
Lactobacillus Acidophilus
clinical exudates
Julak et al. 2003
Bacteria
Peptococcus Niger
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Anaerobicus
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Asaccharolyticus
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Prevotii
clinical exudates
Julak et al. 2003
Bacteria
Porphyromonas Gingivalis
Inhibition of proliferation and cytokine production in Lymphocyte cells.
Kurita-Ochiai et al., 1995
Bacteria
Porphyromonas Gingivalis FDC381
n/a
Kurita-Ochiai et al., 1995
Bacteria
Porphyromonas Gingivalis W83
n/a
Kurita-Ochiai et al., 1995
Bacteria
Prevotella Intermedia ATCC 25261
n/a
Kurita-Ochiai et al., 1995
Bacteria
Prevotella Loescheii
Inhibition of proliferation and cytokine production in Lymphocyte cells.
Kurita-Ochiai et al., 1995
Bacteria
Prevotella Loescheii ATCC 15930
n/a
Kurita-Ochiai et al., 1995
Bacteria
Streptococcus Dysgalactiae
milk of cows
Hettinga et al 2010
Fungi
Candida Albicans
clinical exudates
Julak et al. 2003
Fungi
Tuber Aestivum
n/a
T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region
Cullere et al., 2010
Fungi
Tuber Melanosporum
n/a
T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region
Cullere et al., 2010
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Escherichia Coli
BHI Broth/ TS Broth/Glucose EF base broth
GC-MS /Polar GC Column
Bacteria
Klebsiella Pneumoniae
BHI Broth/ TS Broth/Glucose EF base broth
GC-MS /Polar GC Column
Bacteria
Lactobacillus Casei NCIB 8010
n/a
n/a
Bacteria
Lactobacillus Paracasei CIRM849
curd-based broth medium
GC/MS
Yes
Bacteria
Lactobacillus Plantarum NCIB 6376
n/a
n/a
Bacteria
Lactococcus Lactis DSM 20202
n/a
n/a
Bacteria
Leuconostoc Cremoris DSM 20346
n/a
n/a
Bacteria
Leuconostoc Dextranicum DSM 20484
n/a
n/a
Bacteria
Leuconostoc Mesenteroides DSM 20343
n/a
n/a
Bacteria
Leuconostoc Oenos B66
n/a
n/a
Bacteria
Leuconostoc Oenos 19
n/a
n/a
Bacteria
Leuconostoc Oenos 30
n/a
n/a
Bacteria
Leuconostoc Oenos 36
n/a
n/a
Bacteria
Leuconostoc Oenos 37D
n/a
n/a
Bacteria
Leuconostoc Oenos 7B
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20252
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20255
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20257
n/a
n/a
Bacteria
Leuconostoc Oenos Lc5x
n/a
n/a
Bacteria
Leuconostoc Paramesenteroides DSM 20288
n/a
n/a
Bacteria
Pediococcus Damnosus DSM 20331
n/a
n/a
Bacteria
Staphylococcus Aureus
BHI Broth/ TS Broth/Glucose EF base broth
GC-MS /Polar GC Column
Bacteria
Staphylococcus Sciuri
872 liquid medium
SPME-GC/MS
Bacteria
Staphylococcus Sp.
n/a
n/a
Fungi
Polysporus Sulfureus
no
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Actinomyces Naeslundii
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Clostridium Bifermentans
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Clostridium Butyricum
n/a
n/a
Bacteria
Clostridium Cadaverum
n/a
n/a
Bacteria
Clostridium Fallax
n/a
n/a
Bacteria
Clostridium Perfringens
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Clostridium Septicum
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Clostridium Sp.
n/a
n/a
Bacteria
Clostridium Sporogenes
n/a
n/a
Bacteria
Clostridium Tertium
n/a
n/a
Bacteria
Coagulase Negative Staphylococci
GCMS DSQ
no
Bacteria
Enterobacter Cloacae
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Escherichia Coli
GCMS DSQ
no
Bacteria
Eubacterium Lentum
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Fusobacterium Necrophorum
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Fusobacterium Nucleatum
n/a
n/a
Bacteria
Fusobacterium Nucleatum ATCC 23726
n/a
n/a
Bacteria
Fusobacterium Nucleatum ATCC 33568
n/a
n/a
Bacteria
Fusobacterium Simiae
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Lactobacillus Acidophilus
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptococcus Niger
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Anaerobicus
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Asaccharolyticus
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Prevotii
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Porphyromonas Gingivalis
n/a
n/a
Bacteria
Porphyromonas Gingivalis FDC381
n/a
n/a
Bacteria
Porphyromonas Gingivalis W83
n/a
n/a
Bacteria
Prevotella Intermedia ATCC 25261
n/a
n/a
Bacteria
Prevotella Loescheii
n/a
n/a
Bacteria
Prevotella Loescheii ATCC 15930
n/a
n/a
Bacteria
Streptococcus Dysgalactiae
GCMS DSQ
no
Fungi
Candida Albicans
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Fungi
Tuber Aestivum
n/a
Gas chromatography-olfactometry (GC-O)
Fungi
Tuber Melanosporum
n/a
Gas chromatography-olfactometry (GC-O)
Hexanoic Acid
Mass-Spectra
Compound Details
Synonymous names
Pentanecarboxylic acid
pentylformate
capronate
FUZZWVXGSFPDMH-UHFFFAOYSA-N
hexylate
Kyselina kapronova
Pentylformic acid
1-pentanecarboxylate
Butylacetic acid
Pentiformic acid
Capronic acid
HEXANOIC ACID
Caproic acid
Hexoic acid
Hexylic acid
1-Pentanecarboxylic acid
5-carboxypentyl
hexansäure
n-caproate
n-hexoate
n-hexylate
AC1Q2VOK
Hexanoic acid Caproic acid
Hexanoic acid, analytical standard
Nat.Hexanoic Acid
1-hexanoate
ACMC-1BTHO
n-Caproic acid
n-Hexanoic acid
n-Hexylic acid
n-Hexoic acid
1-Hexanoic acid
AC1L1RW7
Acid C6
Pentane-1-carboxylic acid
Kyselina kapronova [Czech]
methyl 5-pentanoic acid
SCHEMBL3867
ethyl 4-butanoic acid
KSC177A6N
M557
CHEMBL14184
Hexacid 698
Hexanoic acid (natural)
NSC8266
UN2829
1F8SN134MX
BDBM16433
C6:0
CTK0H7066
HMDB00535
WLN: QV5
hexanoic acid (caproic acid)
Hexanoic acid, >=99%
RP19238
5-Carboxypentyl-Sepharose® 4B N-succinimidyl ester
bmse000351
C01585
CCRIS 1347
CH3(CH2)4COOH
Hexanoic acid, 99%
HSDB 6813
UNII-1F8SN134MX
AN-1410
DTXSID7021607
LP071647
LP097943
LS-2796
NSC 8266
NSC-8266
SBB053586
(C6-C12)Alkylcarboxylic acid
CHEBI:30776
DSSTox_CID_1607
Fatty Acid 1210
ZINC1529230
ANW-20709
DSSTox_GSID_21607
HEXANOIC ACID (CAPROIC ACID)
TRA0069554
DSSTox_RID_76233
LMFA01010006
MFCD00004421
AI3-07701
NCIOpen2_005355
RTR-035704
ST51046281
TR-035704
(C5-C9) Monobasic acids
(C6-C12) Alkylcarboxylic acid
AKOS000119844
I04-1053
J-007673
BRN 0773837
FEMA No. 2559
FT-0659402
C6:0 (Lipid numbers)
CH3-[CH2]4-COOH
Z955123566
Tox21_201517
Tox21_300406
142-62-1
Hexanoic acid, natural, >=98%, FCC
8040-17-3
Hexanoic acid, >=98%, FCC, FG
MCULE-1671810139
NCGC00248020-01
NCGC00248020-02
NCGC00254504-01
NCGC00259067-01
CAS-142-62-1
EINECS 205-550-7
EINECS 267-013-3
EINECS 271-676-4
EINECS 274-509-3
51109-46-7
53896-26-7
68603-84-9
70248-25-8
Caproic acid [UN2829] [Corrosive]
Hexanoic acid, natural, >=98%, FCC, FG
MolPort-001-769-761
11034-EP2269610A2
11034-EP2270002A1
11034-EP2277848A1
11034-EP2284146A2
11034-EP2284147A2
11034-EP2289510A1
11034-EP2298313A1
11034-EP2316457A1
11034-EP2316458A1
11034-EP2316825A1
11034-EP2316826A1
11034-EP2316827A1
11034-EP2316828A1
16407-EP2275401A1
16407-EP2281563A1
16407-EP2284160A1
16407-EP2289890A1
16407-EP2305646A1
16407-EP2305687A1
16407-EP2311824A1
16407-EP2311842A2
16407-EP2316459A1
16407-EP2374787A1
16420-EP2275401A1
16420-EP2281563A1
16420-EP2289890A1
16420-EP2305646A1
16420-EP2311842A2
16420-EP2316459A1
Caproic acid [UN2829] [Corrosive]
Hexanoic acid, purum, >=98.0% (GC)
19455-00-6 (potassium salt)
10051-44-2 (sodium salt)
38708-95-1 (calcium salt)
4-02-00-00917 (Beilstein Handbook Reference)
25401AB4-1ECB-481F-AC91-EAAFC9329BDD
16571-42-9 (manganese(2+) salt)
13476-79-4 (copper(2+) salt)
Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-
InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8
IUPAC name
hexanoic acid
SMILES
CCCCCC(=O)O
Inchi
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
Formula
C
6
H
1
2
O
2
PubChem ID
8892
Molweight
116.16
LogP
1.81
Atoms
20
Bonds
19
H-bond Acceptor
2
H-bond Donor
1
Chemical Classification
Acids
carboxylic acids
mVOC Specific Details
Volatilization
The pKa of hexanoic acid is 4.88(1), indicating that this compound will exist predominantly as an anion under environmental conditions. Volatilization will not occur from water and moist soils since anions do not volatilize(SRC). Hexanoic acid is not expected to volatilize from dry soil surfaces(SRC), based upon an extrapolated vapor pressure of 0.0435 mm Hg at 25 deg C(2).
Literature:
(1) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985)(2) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Koc values of 26, 24 and 37 have been experimentally measured, for an acidic forest soil (pH 2.8, 4.85% organic carbon), agricultural soil (pH 6.7, 1.25% organic carbon), and a lake sediment (pH 7.1, 1.58% organic carbon), respectively(1). According to a classification scheme(2), these measured Koc values suggest that hexanoic acid is very highly mobile in soil(SRC). In addition, the pKa of hexanoic acid is 4.88(3), indicating that this compound will primarily exist as an anion in the environment, and anions generally possess high mobility in soil(4).
Literature:
(1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985) (4) 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
Pressure
Reference
0.0435 mm at 25 deg C (est)
Daubert, 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 181910
MS-MS Spectrum 755 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 756 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179577
MS-MS Spectrum 4183 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 757 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4184 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 181908
MS-MS Spectrum 4182 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 179578
MS-MS Spectrum 4186 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 179579
MS-MS Spectrum 4185 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 181909
MS-MS Spectrum 201354
1D-NMR-Links
1D NMR Spectrum 5038
1D NMR Spectrum 2940 - Varian 25.16 MHz 13C NMR
1D NMR Spectrum 5037
1D NMR Spectrum 1409 - Varian 500 MHz 1H NMR
1D NMR Spectrum 2245 - JEOL 400 MHz 1H NMR
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Azospirillum Brasilense Cd
promotion of performance of Chlorella sorokiniana Shih
culture collection DSMZ 1843
Amavizca et al. 2017
Bacteria
Bacillus Pumilus ES4
promotion of performance of Chlorella sorokiniana Shih
Amavizca et al. 2017
Bacteria
Clostridium Sp.
n/a
Stotzky and Schenk, 1976
Bacteria
Escherichia Coli DH5a
promotion of performance of Chlorella sorokiniana Shih
Amavizca et al. 2017
Bacteria
Peptococcus Niger
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Anaerobicus
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Asaccharolyticus
clinical exudates
Julak et al. 2003
Bacteria
Peptostreptococcus Prevotii
clinical exudates
Julak et al. 2003
Fungi
Candida Albicans
clinical exudates
Julak et al. 2003
Bacteria
Lactobacillus Casei NCIB 8010
n/a
Tracey and Britz, 1989
Bacteria
Lactobacillus Paracasei CIRM849
na
Majorero cheese
PogaÄić et al., 2016
Bacteria
Lactobacillus Plantarum NCIB 6376
n/a
Tracey and Britz, 1989
Bacteria
Lactococcus Lactis DSM 20202
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Cremoris DSM 20346
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Dextranicum DSM 20484
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Mesenteroides DSM 20343
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos B66
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 19
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 30
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 36
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 37D
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos 7B
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20252
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20255
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos DSM 20257
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Oenos Lc5x
n/a
Tracey and Britz, 1989
Bacteria
Leuconostoc Paramesenteroides DSM 20288
n/a
Tracey and Britz, 1989
Bacteria
Pediococcus Damnosus DSM 20331
n/a
Tracey and Britz, 1989
Bacteria
Streptomyces Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Paenibacillus Sp. P4
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Pedobacter Sp. V48
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Fungi
Ganoderma Lucidum
na
saprophytic on deciduous trees
Ziegenbein et al., 2006
Fungi
Spongiporus Leucomallellus
na
saprophytic mostly on wet, old pines
Ziegenbein et al., 2006
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Azospirillum Brasilense Cd
TSA
SPME-GC
no
Bacteria
Bacillus Pumilus ES4
TSA
SPME-GC
no
Bacteria
Clostridium Sp.
n/a
n/a
Bacteria
Escherichia Coli DH5a
TSA
SPME-GC
no
Bacteria
Peptococcus Niger
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Anaerobicus
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Asaccharolyticus
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Peptostreptococcus Prevotii
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Fungi
Candida Albicans
peptone/casein hydrolysate, yeast extract, beef extract, glucose
GC-FID FSOT NUKOL
yes
Bacteria
Lactobacillus Casei NCIB 8010
n/a
n/a
Bacteria
Lactobacillus Paracasei CIRM849
curd-based broth medium
GC/MS
Yes
Bacteria
Lactobacillus Plantarum NCIB 6376
n/a
n/a
Bacteria
Lactococcus Lactis DSM 20202
n/a
n/a
Bacteria
Leuconostoc Cremoris DSM 20346
n/a
n/a
Bacteria
Leuconostoc Dextranicum DSM 20484
n/a
n/a
Bacteria
Leuconostoc Mesenteroides DSM 20343
n/a
n/a
Bacteria
Leuconostoc Oenos B66
n/a
n/a
Bacteria
Leuconostoc Oenos 19
n/a
n/a
Bacteria
Leuconostoc Oenos 30
n/a
n/a
Bacteria
Leuconostoc Oenos 36
n/a
n/a
Bacteria
Leuconostoc Oenos 37D
n/a
n/a
Bacteria
Leuconostoc Oenos 7B
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20252
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20255
n/a
n/a
Bacteria
Leuconostoc Oenos DSM 20257
n/a
n/a
Bacteria
Leuconostoc Oenos Lc5x
n/a
n/a
Bacteria
Leuconostoc Paramesenteroides DSM 20288
n/a
n/a
Bacteria
Pediococcus Damnosus DSM 20331
n/a
n/a
Bacteria
Streptomyces Spp.
n/a
n/a
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Paenibacillus Sp. P4
sand containing artificial root exudates
GC/MS
No
Bacteria
Pedobacter Sp. V48
sand containing artificial root exudates
GC/MS
No
Fungi
Ganoderma Lucidum
na
GC/MS
No
Fungi
Spongiporus Leucomallellus
na
GC/MS
No
Nonanal
Mass-Spectra
Compound Details
Synonymous names
Pelargonaldehyde
Nonylaldehyde
Nonanaldehyde
Nonaldehyde
Pelargonic aldehyde
GYHFUZHODSMOHU-UHFFFAOYSA-N
Nonanoic aldehyde
n-Nonylaldehyde
Nonylic aldehyde
Nonoic aldehyde
NONANAL
n-Nonaldehyde
Nonyl aldehyde
n-Nonanal
Nonanal, analytical standard
AC1Q2VXK
1-Nonaldehyde
n-NONYL ALDEHYDE
Aldehyde C9
1-Nonanal
1-Nonyl aldehyde
AC1L1LC8
2L2WBY9K6T
NONYL ALDEHYDE,N-
ACMC-1BPU8
C-9 aldehyde
Aldehyde C-9
2984AD
NSC5518
UNII-2L2WBY9K6T
SCHEMBL22860
WLN: VH8
Nonanal, 95%
QSPL 015
CTK0H8261
CCRIS 664
N0296
C9-11-Aldehydes
Nonyl aldehyde, n-
LS-694
C9-11 Aldehydes
n-Nonan-1-al
HSDB 7229
NSC 5518
NSC-5518
SBB059872
SCHEMBL8876408
LP109307
CHEMBL2228376
DTXSID9021639
ZINC1686990
NCI-C61018
C-4492
CHEBI:84268
DSSTox_CID_1639
TRA0004138
KB-58723
AN-43522
ANW-18196
DSSTox_GSID_21639
MFCD00007030
DSSTox_RID_76253
Nonanal, >=95%, FCC
LMFA06000040
ST51046137
TR-003756
DB-041769
AI3-04859
RTR-003756
J-005053
AKOS009158987
FEMA No. 2782
FT-0631724
BRN 1236701
I14-13650
Tox21_303603
Nonanal, natural, 97%, FG
124-19-6
NCGC00257442-01
EINECS 278-296-8
CAS-124-19-6
EINECS 204-688-5
918959-88-3
MolPort-001-783-881
4-01-00-03352 (Beilstein Handbook Reference)
IUPAC name
nonanal
SMILES
CCCCCCCCC=O
Inchi
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
Formula
C
9
H
1
8
O
PubChem ID
31289
Molweight
142.242
LogP
2.99
Atoms
28
Bonds
27
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Aldehydes
mVOC Specific Details
Volatilization
The Henry's Law constant for nonanal is 7.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that nonanal 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 2 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). Nonanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Nonanal is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.37 mm Hg(3) and the detectable odor.
Literature:
(1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of nonanal can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that nonanal is expected to have very high mobility in soil.
Literature:
(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
Pressure
Reference
3.7X10-1 mm Hg at 25 deg C /Extrapolated/
Daubert, 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 107884
MS-MS Spectrum 174974
MS-MS Spectrum 107885
MS-MS Spectrum 174972
MS-MS Spectrum 107883
MS-MS Spectrum 174973
1D-NMR-Links
1D NMR Spectrum 3497 - JEOL 400 MHz 1H NMR
1D NMR Spectrum 3639 - Varian 25.16 MHz 13C NMR
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Ganoderma Lucidum
na
saprophytic on deciduous trees
Ziegenbein et al., 2006
Fungi
Puccinia Graminis Var. Tritici
Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.
Stotzky and Schenk, 1976
Fungi
Spongiporus Leucomallellus
na
saprophytic mostly on wet, old pines
Ziegenbein et al., 2006
Bacteria
Bacillus Pumilus ES4
promotion of performance of Chlorella sorokiniana Shih
Amavizca et al. 2017
Bacteria
Biofilms A (Rivularia Sp./Calothrix Parietina Community)
n/a
Hoeckelmann et al., 2004
Bacteria
Calothrix Parietina PCC 6303
n/a
Hoeckelmann et al., 2004
Bacteria
Calothrix Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Carnobacterium Divergens 9P
n/a
Ercolini et al., 2009
Bacteria
Chondromyces Crocatus
Active against the phytopathogenic fungus Sclerotinia sclerotiorum
Schulz and Dickschat, 2007
Bacteria
Chondromyces Crocatus Cm C2
n/a
Schulz et al., 2004
Bacteria
Chondromyces Crocatus Cm C5
n/a
Schulz et al., 2004
Bacteria
Collimonas Pratensis TER91
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Lactobacillus Paracasei CIRM849
na
Majorero cheese
PogaÄić et al., 2016
Bacteria
Paenibacillus Sp. P4
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Pedobacter Sp. V48
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Phormidium Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Plectonema Notatum
n/a
Hoeckelmann et al., 2004
Bacteria
Plectonema Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Pseudomonas Aurantiaca
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Chlororaphis
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Corrugate
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Fluorescens
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Fragi 25P
n/a
Ercolini et al., 2009
Bacteria
Rivularia Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Serratia Plymuthica PRI-2C
na
maize rhizosphere, Netherlands
Garbeva et al., 2014
Bacteria
Tolypothrix Distorta
n/a
Hoeckelmann et al., 2004
Fungi
Ascocoryne Sarcoides NRRL 50072
n/a
Mallette et al. 2012
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Fungi
Penicillium Paneum (Conidia)
n/a
Chitarra et al., 2004
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
na
Usami et al., 2014
Fungi
Trichodema Viride
n/a
Wheatley et al., 1997
Fungi
Trichoderma Viride
Hung et al., 2013
Fungi
Tuber Aestivum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Fungi
Tuber Melanosporum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Ganoderma Lucidum
na
GC/MS
No
Fungi
Puccinia Graminis Var. Tritici
n/a
n/a
Fungi
Spongiporus Leucomallellus
na
GC/MS
No
Bacteria
Bacillus Pumilus ES4
TSA
SPME-GC
no
Bacteria
Biofilms A (Rivularia Sp./Calothrix Parietina Community)
n/a
n/a
Bacteria
Calothrix Parietina PCC 6303
n/a
n/a
Bacteria
Calothrix Sp.
n/a
n/a
Bacteria
Carnobacterium Divergens 9P
n/a
n/a
Bacteria
Chondromyces Crocatus
n/a
n/a
Bacteria
Chondromyces Crocatus Cm C2
n/a
n/a
Bacteria
Chondromyces Crocatus Cm C5
n/a
n/a
Bacteria
Collimonas Pratensis TER91
sand containing artificial root exudates
GC/MS
No
Bacteria
Lactobacillus Paracasei CIRM849
curd-based broth medium
GC/MS
Yes
Bacteria
Paenibacillus Sp. P4
sand containing artificial root exudates
GC/MS
No
Bacteria
Pedobacter Sp. V48
sand containing artificial root exudates
GC/MS
No
Bacteria
Phormidium Sp.
n/a
n/a
Bacteria
Plectonema Notatum
n/a
n/a
Bacteria
Plectonema Sp.
n/a
n/a
Bacteria
Pseudomonas Aurantiaca
n/a
n/a
Bacteria
Pseudomonas Chlororaphis
n/a
n/a
Bacteria
Pseudomonas Corrugate
n/a
n/a
Bacteria
Pseudomonas Fluorescens
n/a
n/a
Bacteria
Pseudomonas Fragi 25P
n/a
n/a
Bacteria
Rivularia Sp.
n/a
n/a
Bacteria
Serratia Plymuthica PRI-2C
sand containing artificial root exudates
GC/MS
No
Bacteria
Tolypothrix Distorta
n/a
n/a
Fungi
Ascocoryne Sarcoides NRRL 50072
Minimal medium
PTR-MS and SPME GC-MS
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Penicillium Paneum (Conidia)
Malt extract medium
Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
GC/MS, GC-O, AEDA
No
Fungi
Trichodema Viride
Low medium
GC/MS
Fungi
Trichoderma Viride
Malt extract agar
Headspace volatiles collected with colomn/TD-GC-MS
Yes
Fungi
Tuber Aestivum
n/a
Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi
Tuber Melanosporum
n/a
Headspace solid-phase microextraction (HS-SPME) combined with GC-MS