Results for:
chemical Classification: acids

2-methylhexanoic Acid

Mass-Spectra

Compound Details

Synonymous names
2-METHYLHEXANOIC ACID
4536-23-6
2-Methylcaproic acid
Hexanoic acid, 2-methyl-
2-Methylhexanoicacid
2-Hexanecarboxylic acid
Methylhexanoic acid
alpha-Methylcaproic acid
2-methyl-hexanoic acid
FEMA No. 3191
.alpha.-Methylcaproic acid
2-?Methylhexanoic acid
LUK37N0QM8
DTXSID9044241
2-methyl hexanoic acid
104490-70-2
Hexanoic acid, methyl-
EINECS 224-883-9
UNII-LUK37N0QM8
BRN 1721227
alpha-methylhexanoic acid
hexane-2-carboxylic acid
alpha -Methylcaproic acid
(-)-2-methylhexanoic acid
SCHEMBL22555
2-Methylhexanoic acid, 99%
CHEMBL1789229
DTXCID7024241
CVKMFSAVYPAZTQ-UHFFFAOYSA-
FEMA 3191
CHEBI:138489
Tox21_302640
LMFA01020080
MFCD00002674
s6079
2-METHYLHEXANOIC ACID [FHFI]
2-Methylhexanoic acid, >=99%, FG
AKOS009158603
EK-0701
MCULE-7933263354
SB74015
NCGC00256711-01
PD124072
CAS-4536-23-6
DB-070642
HY-128371
CS-0099247
M0947
D91409
EN300-196066
A826786
Q27283189
Z756390480
InChI=1/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
Microorganism:

Yes

IUPAC name2-methylhexanoic acid
SMILESCCCCC(C)C(=O)O
InchiInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
FormulaC7H14O2
PubChem ID20653
Molweight130.18
LogP2.3
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID138489
Supernatural-IDSN0056652

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


4-methylhexanoic Acid

Compound Details

Synonymous names
4-METHYLHEXANOIC ACID
1561-11-1
Hexanoic acid, 4-methyl-
4-METHYLHEXANOICACID
4-methyl-hexanoic acid
E1R4C4A1NO
NSC-249817
4-methylcaproic acid
4-ethylpentanoic acid
UNII-E1R4C4A1NO
EINECS 216-336-8
NSC 249817
4-methyl hexanoic acid
d-4-Methylhexanoic acid
SCHEMBL50857
4-Methylhexanoic acid, 97%
CHEMBL1789159
DTXSID70862692
CHEBI:180001
STR02741
LMFA01020082
NSC249817
AKOS010054807
CAPROIC ACID, .GAMMA.-METHYL-
4-METHYLHEXANOIC ACID, (+/-)-
Hexanoic acid, 4-methyl-, (.+/-.)-
DB-064119
CS-0199329
NS00048384
E84082
EN300-134849
J-009274
Q27276761
Z955111774
Microorganism:

Yes

IUPAC name4-methylhexanoic acid
SMILESCCC(C)CCC(=O)O
InchiInChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
FormulaC7H14O2
PubChem ID15271
Molweight130.18
LogP2
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID180001
Supernatural-IDSN0066895

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus Epidermidisclinical isolate,catheterLemfack et al. 2016
ProkaryotaStaphylococcus Aureusn/aNAPreti et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Epidermidisbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS no


4-hydroxybutanoic Acid

Compound Details

Synonymous names
4-Hydroxybutanoic acid
4-Hydroxybutyric acid
gamma-Hydroxybutyric acid
591-81-1
gamma-Hydroxybutyrate
Xyrem
4-hydroxy-butyric acid
Oxybate
Butanoic acid, 4-hydroxy-
Gamma Hydroxybutyric Acid
4-hydroxy-butanoic acid
GHB
oxy-n-butyric acid
Butyric acid, 4-hydroxy-
Oxybate sodium
3-carboxypropoxy acid
4-Hydroxyalkanoic acid
4-Hydroxycarboxylic acid
Somsanit
gamma Hydroxybutyrate
4-Hydroxybutyrate sodium
.gamma.-hydroxybutyrate
Gamma OH
Gam-OH
CHEMBL1342
CHEBI:30830
4-Hydroxybutyric acid monosodium salt
Sodium .gamma.-oxybutyrate
30IW36W5B2
4-OHB
Sodium .gamma.-hydroxybutyrate
4 HB
4-Hydroxybuttersaeure
EB 27
.gamma.-OH
WY 3478
WY-3478
gamma-Hydroxybutanoic acid
4-Hydroxyacid
.gamma.-Hydroxybutyrate sodium
.gamma.-Hydroxy sodium butyrate
Hydroxybutyric acid monosodium salt
NSC84223
gamma-hydroxy butyrate
HYDROXYBUTYRICACID
.gamma.-Hydroxybutyric acid, sodium salt
NCGC00247714-01
SHB
.gamma.-Hydroxybutyric acid monosodium salt
BRN 1720582
Alcover
UNII-30IW36W5B2
52352-27-9
HSDB 6927
Hydroxybutyric acid-
Sodium gamma-oxybutyrate
.Gamma.-Hydroxy butyrate
4-Hydroxybutanoic acid #
SCHEMBL10786
4-03-00-00774 (Beilstein Handbook Reference)
GTPL4711
DEA No. 2010
AA3E2AF0-AB7A-4A1E-A391-199C049D7162
DTXSID2074740
.GAMMA.-HYDROXYBUTYRIC ACID
BDBM50023575
LMFA01050006
PDSP1_000342
PDSP2_000340
.GAMMA.-HYDROXYBUTYRATE [MI]
GAMMA-HYDROXYBUTYRATE [WHO-DD]
DB01440
GAMMA-HYDROXYBUTYRIC ACID [HSDB]
35054-79-6
SBI-0206686.P002
NS00002886
C00989
C01991
4-Hydroxybutanoic acid (sold as SODIUM OXYBATE)
Q207920
Microorganism:

Yes

IUPAC name4-hydroxybutanoic acid
SMILESC(CC(=O)O)CO
InchiInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
FormulaC4H8O3
PubChem ID10413
Molweight104.1
LogP-0.6
Atoms7
Bonds3
H-bond Acceptor3
H-bond Donor2
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID30830
Supernatural-IDSN0347614

mVOC Specific Details

Boiling Point
DegreeReference
180 °C peer reviewed
Volatilization
A pKa of 4.72(1) indicates 4-hydroxybutanoic 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). 4-Hydroxybutanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.13 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-hydroxybutanoic acid can be estimated to be less than 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-hydroxybutanoic acid is expected to have very high mobility in soil. The pKa of 4-hydroxybutanoic acid is 4.72(3), indicating that this compound will primarily exist in the anion form in the environment, and anions generally adsorb less strongly to soils containing organic carbon and clay than their neutral counterparts(4).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaPhytophthora PlurivoraN/APhytophthora plurivoraLoulier et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaPhytophthora PlurivoraPotato Dextrose AgarSPME/GC-MS/MSno


2-ethylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names
2-ETHYLBUTYRIC ACID
2-Ethylbutanoic acid
88-09-5
Diethylacetic acid
Butanoic acid, 2-ethyl-
Acetic acid, diethyl-
3-Pentanecarboxylic acid
2-Ethyl butanoic acid
Butyric acid, 2-ethyl-
diethyl acetic acid
2-Ethyl-butyric acid
alpha-Ethylbutyric acid
alpha-Ethylbuytyric acid
Kyselina diethyloctova
2-ethyl-butanoic acid
FEMA No. 2429
ethylbutyric acid
.alpha.-Ethylbutyric acid
NSC 11765
2-Ethyl-n-butyric acid
(C2H5)2CHCOOH
IDY8B990KE
DTXSID2041418
NSC-11765
a-Ethylbutyric Acid
WLN: QVY2&2
3-Pentane-Carboxylic Acid
Kyselina diethyloctova [Czech]
EINECS 201-796-4
UNII-IDY8B990KE
BRN 1098634
AI3-04629
Diathylessigsaure
diethyl-acetic acid
2-Ethylbutanoicacid
pentane-3-carboxylic acid
2-Ethylbutyric acid, 8CI
SCHEMBL6114
2-Ethylbutyric acid, 99%
4-02-00-00950 (Beilstein Handbook Reference)
CHEMBL184290
DIETHYLACETIC ACID [MI]
DTXCID0021418
FEMA 2429
NSC8758
CHEBI:173424
2-ETHYLBUTYRIC ACID [FCC]
2-ETHYLBUTYRIC ACID [FHFI]
NSC-8758
NSC11765
STR03488
Tox21_301054
BBL018400
LMFA01020077
MFCD00002670
s6057
STL168031
AKOS000120398
CS-W004154
HY-W004154
MCULE-5236890306
CAS-88-09-5
NCGC00248269-01
NCGC00254956-01
2-Ethylbutyric acid, >=98%, FCC, FG
DB-057043
E0070
EN300-20446
E77046
Q-200275
Q10844268
F2191-0102
Z104478232
InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8
Microorganism:

Yes

IUPAC name2-ethylbutanoic acid
SMILESCCC(CC)C(=O)O
InchiInChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
FormulaC6H12O2
PubChem ID6915
Molweight116.16
LogP1.7
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID173424
Supernatural-IDSN0277935

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno


3-hydroxy-3-methylbutanoic Acid

Compound Details

Synonymous names
beta-Hydroxyisovaleric acid
625-08-1
3-Hydroxy-3-methylbutanoic acid
3-Hydroxyisovaleric acid
3-Hydroxy-3-methylbutyric acid
Butanoic acid, 3-hydroxy-3-methyl-
Hmb-d6
3-hydroxy-3-methyl-butanoic acid
3-OH-isovaleric acid
B-hydroxyisovaleric acid
beta-Hydroxy-beta-methylbutyrate
3-hydroxy-isovaleric acid
123743-99-7
beta-Hydroxyisovaleric Acid-d8
beta-Hydroxy-methylbutyrate
3-hydroxy-3-methyl butyric acid
3-hydroxy-3-methyl-Butyric acid
beta-hydroxy-beta-methylbutyric acid
Butyric acid, 3-hydroxy-3-methyl-
MFCD00059081
3-Hydroxyisovalerate
.beta.-Hydroxyisovaleric acid
3-Hydroxy-3-methylbutyrate
3F752311CD
Juven
UNII-3F752311CD
B-hydroxyisovalerate
Beta-Hydroxy beta-methylbutyric acid
JUVEN [VANDF]
B-hydroxy-b-methylbutyrate
beta -Hydroxyisovaleric acid
SCHEMBL95499
3-hydroxy-3-methyl-Butanoate
Beta-(Hydroxyisovaleric Acid)
B-hydroxy-b-methylbutyric acid
.beta.-Hydroxy-isovaleric acid
3-methyl-3-hydroxybutyric acid
CHEMBL4303793
CHEBI:37084
DTXSID20211535
3-Hydroxy-3-Methyl butanoic Acid
?BETA-HYDROXYISOVALERIC ACID
BBL100555
LMFA01050396
s6124
STL554349
AKOS005254540
DB15344
DS-9861
MCULE-3649642958
SY032937
HYDROXY-BETA-METHYLBUTYRATE [VANDF]
HY-113409
beta-Hydroxyisovaleric acid, >=95.0% (T)
CS-0059394
H0701
NS00014714
C20827
EN300-117931
A833816
BETA-HYDROXY-BETA-METHYLBUTYRATE [WHO-DD]
Q223081
Z982131798
Microorganism:

Yes

IUPAC name3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)O
InchiInChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
FormulaC5H10O3
PubChem ID69362
Molweight118.13
LogP-0.3
Atoms8
Bonds2
H-bond Acceptor3
H-bond Donor2
Chemical Classificationalcohols acids carboxylic acids organic acids
CHEBI-ID37084
Supernatural-IDSN0017809

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian alendronate supp.SPME/GC-MSno
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno


2-methylsulfanylacetic Acid

Compound Details

Synonymous names
(Methylthio)acetic acid
2444-37-3
2-(methylthio)acetic acid
2-methylsulfanylacetic acid
Acetic acid, (methylthio)-
2-Methylthioacetic acid
2-(methylsulfanyl)acetic acid
methylsulfenylacetic acid
methylmercaptoacetic acid
UMV7E1UCUX
(Methylmercapto)acetic acid
(Methylsulfanyl)acetic acid
MFCD00075444
NSC-263480
S-Methylthioglycolate
Methylsulfanylacetic acid; NSC 263480; S-Methylthioglycolic acid
UNII-UMV7E1UCUX
Acetic acid,2-(methylthio)-
MitomycinC
MTG
EINECS 219-483-6
NSC 263480
(methylthio) acetic acid
2-(methylthio)aceticacid
methylsulfanyl acetic acid
methylsulfanyl-acetic acid
S-methyl-thioglycolic acid
SCHEMBL44558
(Methylsulfanyl)acetic acid #
(Methylthio)acetic acid, 99%
LCZC1675
METHYLSULFANYLACETIC ACID
S-METHYLTHIOGLYCOLIC ACID
CHEBI:47870
METHYLSULFENYL)ACETIC ACID
DTXSID10179195
2-(METHYLTHIO)ETHANOIC ACID
STR05301
BBL104386
NSC263480
STL558658
AKOS000264309
ACETIC ACID, 2-(METHYLTHIO)-
MCULE-7003418159
.ALPHA.-(METHYLTHIO)ACETIC ACID
CS-0015159
NS00002815
EN300-07879
C03173
F15988
J-015532
Q27104596
Z56960331
F8881-5056
Microorganism:

No

IUPAC name2-methylsulfanylacetic acid
SMILESCSCC(=O)O
InchiInChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
FormulaC3H6O2S
PubChem ID75551
Molweight106.15
LogP0.5
Atoms6
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationacids thioethers carboxylic acids sulfur compounds organic acids sulfides
CHEBI-ID47870
Supernatural-IDSN0125149

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas (Umbria, Piedmont)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


2-(1H-imidazol-5-yl)-2-oxoacetic Acid

Compound Details

Synonymous names
295345-28-7
1H-imidazol-4-yl(oxo)acetic acid
2-(1H-imidazol-4-yl)-2-oxoacetic acid
2-(1H-imidazol-5-yl)-2-oxoacetic acid
SCHEMBL9016391
RPVXUSIQSQEAFM-UHFFFAOYSA-N
DTXSID301302266
(1H-Imidazol-4-yl)oxoacetic acid
STK249712
AKOS005219629
I+/--Oxo-1H-imidazole-5-acetic acid
MCULE-8916685899
EN300-1818180
Microorganism:

Yes

IUPAC name2-(1H-imidazol-5-yl)-2-oxoacetic acid
SMILESC1=C(NC=N1)C(=O)C(=O)O
InchiInChI=1S/C5H4N2O3/c8-4(5(9)10)3-1-6-2-7-3/h1-2H,(H,6,7)(H,9,10)
FormulaC5H4N2O3
PubChem ID1796254
Molweight140.1
LogP-0.2
Atoms10
Bonds2
H-bond Acceptor4
H-bond Donor2
Chemical Classificationacids imidazoles aromatic compounds organic acids heterocyclic compounds carboxylic acids ketones nitrogen compounds
Supernatural-IDSN0331993

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


4-phenylmethoxybenzoic Acid

Compound Details

Synonymous names
4-Benzyloxybenzoic acid
1486-51-7
4-(benzyloxy)benzoic acid
Benzoic acid, 4-(phenylmethoxy)-
4-phenylmethoxybenzoic acid
p-(Benzyloxy)benzoic acid
4-(phenylmethoxy)benzoic acid
MFCD00016527
4K45H4G7KP
CHEMBL3134411
NSC-16633
4-benzyloxy benzoic acid
4-(Benzyloxy)benzoicacid
4-Benzyloxy-benzoic acid
Brl 14280
4-benzyloxybenzoate
EINECS 216-066-0
NSC 16633
4benzyloxybenzoic acid
4-Benzyloxybenzoicacid
p-benzyloxybenzoic acid
p-(benzyloxy)benzoicacid
4-(benzyloxy)-benzoic acid
UNII-4K45H4G7KP
Oprea1_723890
SCHEMBL228477
4-Benzyloxybenzoic acid, 99%
4-Carboxyphenoxy phenyl methane
4-Carboxyphenoxy-phenyl methane
DTXSID00164030
CHEBI:194624
BCP24385
NSC16633
4 - Carboxyphenoxy - phenyl methane
BBL008036
BDBM50496605
BRL-14280
CCG-43304
CK2186
STK082711
AKOS000109246
CS-W005179
MCULE-8427715730
MS-1799
SY004155
DB-042948
B1665
NS00024869
EN300-17060
A808796
J-008502
SR-01000633233-1
BRD-K00030946-001-01-7
Q27449797
Z56869319
F3146-0159
InChI=1/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16
Microorganism:

Yes

IUPAC name4-phenylmethoxybenzoic acid
SMILESC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)O
InchiInChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
FormulaC14H12O3
PubChem ID73880
Molweight228.24
LogP3.3
Atoms17
Bonds4
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds acids benzenoids organic acids carboxylic acids ethers
CHEBI-ID194624

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-hydroxy-5-sulfobenzoic Acid

Compound Details

Synonymous names
2-Hydroxy-5-sulfobenzoic acid
5-Sulfosalicylic acid
SULFOSALICYLIC ACID
97-05-2
5-Sulphosalicylic acid
Salicylsulfonic acid
Benzoic acid, 2-hydroxy-5-sulfo-
Salicylic acid, sulfo-
2-Hydroxybenzoic-5-sulfonic acid
Benzoic acid, 2-hydroxysulfo-
Sulphosalicylic acid
Salicylic acid, 5-sulfo-
3-Carboxy-4-hydroxybenzenesulfonic acid
NSC 190565
5-Sulfosalicylate
5-sulfo-Salicylic acid
L8XED79U3U
CHEMBL229241
CHEBI:68555
NSC-190565
2-hydroxy-5-sulfo-benzoic acid
WLN: WSQR DQ CVQ
Kalcolor anodizing acid
Sulfosalicylic acid (VAN)
Salicylsulfonic acid (VAN)
Sulphosalicylic acid (VAN)
EINECS 202-555-6
UNII-L8XED79U3U
BRN 0650741
CP 18121
AI3-18246
AI3-32582
sulfo salicylic acid
SULFOSALICYLIC
5-sulfosalicyclic acid
2-hydroxysulfo-Benzoate
2-hydroxysulfo-Benzoic acid
SCHEMBL34766
2-Hydroxy-5-sulfobenzoicacid
4-11-00-00702 (Beilstein Handbook Reference)
DTXSID7059145
SULFOSALICYLIC ACID [MI]
NSC4741
HY-B1785
NSC-4741
BBL008587
BDBM50219498
NSC190565
STK301570
SULFOSALICYLIC ACID [WHO-DD]
AKOS000120294
MCULE-1452035534
AC-11271
CS-0013816
NS00014762
S0830
EN300-20563
G76479
A845677
Q238569
W-100120
Z104478882
InChI=1/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13
Microorganism:

No

IUPAC name2-hydroxy-5-sulfobenzoic acid
SMILESC1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O
InchiInChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
FormulaC7H6O6S
PubChem ID7322
Molweight218.19
LogP1.3
Atoms14
Bonds2
H-bond Acceptor6
H-bond Donor3
Chemical Classificationacids carboxylic acids benzenoids organic acids aromatic compounds phenols sulfur compounds
CHEBI-ID68555
Supernatural-IDSN0446705

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFlammulina VelutipesnaKoreaKim et al. 2008
EukaryotaSparassis CrispanaKoreaKim et al. 2008
EukaryotaGanoderma LucidumnaKoreaKim et al. 2008
EukaryotaPhellinus LinteusnaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFlammulina VelutipesnaHPLCyes
EukaryotaSparassis CrispanaHPLCyes
EukaryotaGanoderma LucidumnaHPLCyes
EukaryotaPhellinus LinteusnaHPLCyes


4-hydroxybenzenesulfonic Acid

Compound Details

Synonymous names
4-Hydroxybenzenesulfonic acid
98-67-9
p-Phenolsulfonic acid
phenolsulfonic acid
4-Phenolsulfonic acid
Sulfocarbolic acid
p-Sulfophenol
p-Hydroxybenzenesulfonic acid
Benzenesulfonic acid, 4-hydroxy-
4-HYDROXYPHENYLSULFONIC ACID
Phenol-4-sulfonic acid
Benzenesulfonic acid, p-hydroxy-
4-Sulfophenol
4-Hydroxybenzenesulphonic acid
Hydroxybenzene-4-sulfonic acid
p-Phenolsulfonate
NSC 227908
4-hydroxybenzene-1-sulfonic acid
para-phenolsulfonic acid
4-Hydroxybenzenesulfonic acid, 65% in Water
NSC-227908
L74LRO149A
DTXSID1046421
CHEBI:32354
Phenolsulfonic acid (JAN)
DTXCID9026421
PHENOLSULFONIC ACID [JAN]
CAS-98-67-9
HSDB 5319
NCGC00164534-01
NCGC00164534-02
EINECS 202-691-6
BRN 1869034
UNII-L74LRO149A
4-phenolsulfonic-acid
p-phenol sulfonic acid
4hydroxybenzenesulfonic acid
EC 202-691-6
p-Hydroxyphenylsulfonic acid
SCHEMBL18275
p-hydroxybenzenesulphonic acid
4-11-00-00582 (Beilstein Handbook Reference)
Phenol-4-sulfonic Acid Hydrate
CHEMBL1398657
P-PHENOLSULFONIC ACID [MI]
Tox21_112165
MFCD00007506
NSC227908
P-PHENOLSULFONIC ACID [HSDB]
STL280368
AKOS009159072
Tox21_112165_1
CS-W017509
DB14739
MCULE-9642506548
P-PHENOLSULFONIC ACID [WHO-DD]
PARA-PHENOLSULFONIC ACID [VANDF]
AM804627
AS-39421
BP-31158
4-Hydroxybenzenesulfonic Acid (85per cent)
NS00006802
P0104
EN300-36331
D01403
4-Hydroxybenzenesulfonic acid;p-Phenolsulfonic acid
Q1534677
W-100070
Microorganism:

No

IUPAC name4-hydroxybenzenesulfonic acid
SMILESC1=CC(=CC=C1O)S(=O)(=O)O
InchiInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
FormulaC6H6O4S
PubChem ID4765
Molweight174.18
LogP0.2
Atoms11
Bonds1
H-bond Acceptor4
H-bond Donor2
Chemical Classificationaromatic compounds acids phenols sulfonyls benzenoids sulfur compounds
CHEBI-ID32354
Supernatural-IDSN0083605

mVOC Specific Details

Volatilization
The Henry's Law constant for 4-hydroxyphenylsulfonic acid is estimated as 2.62X10-13 atm-cu/mole(1,SRC). This indicates that 4-hydroxyphenylsulfonic acid will essentially not volatilize from water surfaces(2).
Literature: (1) Meylan W, 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 p. 15-15 to 15-29 (1990)
Solubility
MISCIBLE WITH WATER, ALCOHOL
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1151
Soil Adsorption
Based on an estimated log Kow of -1.65(1), the Koc of 4-hydroxyphenylsulfonic acid is estimated as approximately 3.0 using a regression-derived equation(2,SRC). According to a suggested classification scheme, this estimated Koc value suggests that 4-hydroxyphenylsulfonic acid has very high mobility in soil(3).
Literature: (1) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (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)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Piedmont)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


Acetic Acid

Mass-Spectra

Compound Details

Synonymous names
acetic acid
ethanoic acid
64-19-7
Acetic acid glacial
Ethylic acid
Vinegar acid
Glacial acetic acid
Acetic acid, glacial
Methanecarboxylic acid
Acetasol
Essigsaeure
Acide acetique
Pyroligneous acid
Vinegar
Azijnzuur
Aceticum acidum
Acido acetico
Octowy kwas
Aci-jel
HOAc
ethoic acid
Kyselina octova
Orthoacetic acid
AcOH
Azijnzuur [Dutch]
Ethanoic acid monomer
Acetic
Essigsaeure [German]
Caswell No. 003
Otic Tridesilon
Octowy kwas [Polish]
Acetic acid (natural)
Acide acetique [French]
Acido acetico [Italian]
FEMA No. 2006
Kyselina octova [Czech]
MeCOOH
Acetic acid-17O2
Otic Domeboro
Acidum aceticum glaciale
Acidum aceticum
CH3-COOH
acetic acid-
CH3CO2H
UN2789
UN2790
EPA Pesticide Chemical Code 044001
NSC 132953
NSC-132953
NSC-406306
BRN 0506007
Acetic acid, diluted
INS NO.260
Acetic acid [JAN]
DTXSID5024394
MeCO2H
CHEBI:15366
AI3-02394
CH3COOH
INS-260
Q40Q9N063P
E-260
10.Methanecarboxylic acid
CHEMBL539
NSC-111201
NSC-112209
NSC-115870
NSC-127175
Acetic acid-2-13C,d4
INS No. 260
DTXCID304394
E 260
Acetic-13C2 acid (8CI,9CI)
Ethanoat
Shotgun
MFCD00036152
Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid
285977-76-6
68475-71-8
C2:0
acetyl alcohol
Orlex
Vosol
ACETIC-1-13C-2-D3 ACID-1 H (D)
WLN: QV1
ACETIC ACID (MART.)
ACETIC ACID [MART.]
Acetic acid, >=99.7%
57745-60-5
63459-47-2
FEMA Number 2006
ACETIC-13C2-2-D3 ACID, 97 ATOM % 13C, 97 ATOM % D
Acetic acid, ACS reagent, >=99.7%
ACY
HSDB 40
CCRIS 5952
79562-15-5
methane carboxylic acid
EINECS 200-580-7
Acetic acid 0.25% in plastic container
Essigsaure
Ethylate
acetic aicd
acetic-acid
Glacial acetate
acetic cid
actic acid
UNII-Q40Q9N063P
acetic -acid
Distilled vinegar
Methanecarboxylate
Acetic acid, glacial [USP:JAN]
Acetasol (TN)
Acetic acid,glacial
Carboxymethyl radical
for LC-MS
Vinegar (Salt/Mix)
HOOCCH3
546-67-8
Acetic acid LC/MS Grade
ACETIC ACID [II]
ACETIC ACID [MI]
Acetic acid, ACS reagent
bmse000191
bmse000817
bmse000857
Otic Domeboro (Salt/Mix)
EC 200-580-7
Acetic acid (JP17/NF)
ACETIC ACID [FHFI]
ACETIC ACID [INCI]
Acetic Acid [for LC-MS]
ACETIC ACID [VANDF]
NCIOpen2_000659
NCIOpen2_000682
Acetic acid, glacial (USP)
4-02-00-00094 (Beilstein Handbook Reference)
77671-22-8
Glacial acetic acid (JP17)
UN 2790 (Salt/Mix)
ACETIC ACID [WHO-DD]
ACETIC ACID [WHO-IP]
ACETICUM ACIDUM [HPUS]
GTPL1058
Acetic Acid Glacial HPLC Grade
Acetic acid, analytical standard
Acetic acid, Glacial USP grade
Acetic acid, puriss., >=80%
Acetic acid, 99.8%, anhydrous
Acetic acid, AR, >=99.8%
Acetic acid, LR, >=99.5%
DTXSID001043500
Acetic acid, extra pure, 99.8%
Acetic acid, 99.5-100.0%
Acetic acid, Glacial, ACS Reagent
STR00276
Acetic acid, puriss., 99-100%
Tox21_301453
Acetic acid, glacial, >=99.85%
BDBM50074329
FA 2:0
LMFA01010002
NSC132953
NSC406306
STL264240
Acetic acid, for HPLC, >=99.8%
AKOS000268789
ACIDUM ACETICUM [WHO-IP LATIN]
DB03166
MCULE-8295936189
UN 2789
Acetic acid, >=99.5%, FCC, FG
Acetic acid, natural, >=99.5%, FG
Acetic acid, ReagentPlus(R), >=99%
CAS-64-19-7
USEPA/OPP Pesticide Code: 044001
Acetic acid, USP, 99.5-100.5%
NCGC00255303-01
Acetic acid 1000 microg/mL in Methanol
Acetic acid, SAJ first grade, >=99.0%
DB-085748
Acetic acid 1000 microg/mL in Acetonitrile
Acetic acid, >=99.99% trace metals basis
Acetic acid, JIS special grade, >=99.7%
Acetic acid, purified by double-distillation
NS00002089
Acetic acid, UV HPLC spectroscopic, 99.9%
EN300-18074
Acetic acid, Vetec(TM) reagent grade, >=99%
Bifido Selective Supplement B, for microbiology
C00033
D00010
ORLEX HC COMPONENT ACETIC ACID, GLACIAL
Q47512
VOSOL HC COMPONENT ACETIC ACID, GLACIAL
Acetic acid, glacial, electronic grade, 99.7%
TRIDESILON COMPONENT ACETIC ACID, GLACIAL
A834671
ACETASOL HC COMPONENT ACETIC ACID, GLACIAL
Acetic acid, >=99.7%, SAJ super special grade
ACETIC ACID, GLACIAL COMPONENT OF BOROFAIR
ACETIC ACID, GLACIAL COMPONENT OF ORLEX HC
ACETIC ACID, GLACIAL COMPONENT OF VOSOL HC
SR-01000944354
ACETIC ACID, GLACIAL COMPONENT OF TRIDESILON
SR-01000944354-1
ACETIC ACID, GLACIAL COMPONENT OF ACETASOL HC
Glacial acetic acid, meets USP testing specifications
InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4
Acetic acid, >=99.7%, suitable for amino acid analysis
Acetic acid, >=99.7%, for titration in non-aqueous medium
Acetic acid, for luminescence, BioUltra, >=99.5% (GC)
Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%
Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)
Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard
Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
Glacial Acetic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
158461-04-2
2887-46-9
Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%
Microorganism:

Yes

IUPAC nameacetic acid
SMILESCC(=O)O
InchiInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FormulaC2H4O2
PubChem ID176
Molweight60.05
LogP-0.2
Atoms4
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids
CHEBI-ID15366
Supernatural-IDSN0314461

mVOC Specific Details

Boiling Point
DegreeReference
117.9 °C peer reviewed
Volatilization
The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (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. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially 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(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)
Vapor Pressure
PressureReference
15.7 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 2640 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 2637 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 2638 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 179743
MS-MS Spectrum 182077
MS-MS Spectrum 182078
MS-MS Spectrum 71 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179744
MS-MS Spectrum 70 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 2636 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 179742
MS-MS Spectrum 69 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 182076
MS-MS Spectrum 2635 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 2639 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
EukaryotaAspergillus FumigatusNANABazemore et al. 2012
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaTrichoderma Virens0NALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
EukaryotaTrichoderma VirensNALi et al. 2018
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaArthrobacter Nicotinovoransstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaErwinia Persicinaavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
EukaryotaMortierella Alpina/globalpinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Angustaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Bainieriisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Exiguaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Gamsiiisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Gemmiferaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Horticolaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Humilis/verticilataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Hyalinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaEntomortierella Parvisporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Pseudozygosporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Solitariaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Zonataisolate from different types of soil in AustriaTelagathoti et al. 2021
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaBacillus VelezensisNARiu et al. 2022
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaBacillus Sp.Highly attractive to Mexican fruit flies.NASchulz and Dickschat 2007
ProkaryotaStaphylococcus Sp.Highly attractive to Mexican fruit flies.NASchulz and Dickschat 2007
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaVeillonella Sp.Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.NAHinton and Hume 1995
ProkaryotaBacteroides FragilisReduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.NAHinton and Hume 1995
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
ProkaryotaBacteroides Biviusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Distasonisn/aNAWiggins et al. 1985
ProkaryotaBacteroides Ovatusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Thetaiotaomicronn/aNAWiggins et al. 1985
ProkaryotaBacteroides Vulgatusn/aNAWiggins et al. 1985
ProkaryotaClostridium Cadaverumn/aNAWiggins et al. 1985
ProkaryotaClostridium Histolyticumn/aNAWiggins et al. 1985
ProkaryotaClostridium Tertiumn/aNAWiggins et al. 1985
ProkaryotaClostridium Bifermentansn/aNAWiggins et al. 1985
ProkaryotaClostridium Fallaxn/aNAWiggins et al. 1985
ProkaryotaClostridium Butyricumn/aNAWiggins et al. 1985
ProkaryotaClostridium Sporogenesn/aNAWiggins et al. 1985
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaPorphyromonas Gingivalisn/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Loescheiin/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Intermedian/aNAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium Nucleatumn/aNAKurita-Ochiai et al. 1995
ProkaryotaActinobacillus Actinomycetemcomitansn/aNAKurita-Ochiai et al. 1995
ProkaryotaCapnocytophaga Ochracean/aNAKurita-Ochiai et al. 1995
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
ProkaryotaKlebsiella Pneumoniaen/aNAJulak et al. 2003
ProkaryotaStaphylococcus Aureusn/aNAJulak et al. 2003
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaAcinetobacter Baumanniiclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Europaeusclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Capillosusclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaClostridium Difficileclinical exudatesJulak et al. 2003
ProkaryotaClostridium Perfringensclinical exudatesJulak et al. 2003
ProkaryotaClostridium Ramosumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Septicumclinical exudatesJulak et al. 2003
ProkaryotaEnterococcus Faecalisclinical exudatesJulak et al. 2003
ProkaryotaEubacterium Lentumclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Simiaeclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
ProkaryotaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
ProkaryotaNocardia Sp.clinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Anaerobiusclinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Acnesclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
ProkaryotaProteus Mirabilisclinical exudatesJulak et al. 2003
ProkaryotaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Agalactiaeclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Viridansclinical exudatesJulak et al. 2003
EukaryotaCandida Albicansclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaHaemophilus InfluenzaeclinicPreti et al. 2009
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaPseudomonas Brassicacearumreduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaLactobacillus RhamnosusnaDomiati cheesePogačić et al. 2016
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaAcetobacter IndonesiensisNANATran et al. 2022
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaLactobacillus PlantarumZhang et al. 2023
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus ToyonensisKoilybayeva et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus CereusKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
EukaryotaAspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
EukaryotaAspergillus FumigatusSDA + ElastinTD/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaTrichoderma VirensPDA plateSPME-GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Virenspotato dextrose agarSPME, GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaArthrobacter NicotinovoransLB mediaSPME/GC-MSno
ProkaryotaErwinia PersicinaLB mediaSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
EukaryotaMortierella Alpina/globalpinaPD agarPTR-ToF-MSno
EukaryotaMortierella AngustaPD agarPTR-ToF-MSno
EukaryotaMortierella BainieriPD agarPTR-ToF-MSno
EukaryotaLinnemannia ExiguaPD agarPTR-ToF-MSno
EukaryotaLinnemannia GamsiiPD agarPTR-ToF-MSno
EukaryotaMortierella GemmiferaPD agarPTR-ToF-MSno
EukaryotaPodila HorticolaPD agarPTR-ToF-MSno
EukaryotaPodila Humilis/verticilataPD agarPTR-ToF-MSno
EukaryotaLinnemannia HyalinaPD agarPTR-ToF-MSno
EukaryotaEntomortierella ParvisporaPD agarPTR-ToF-MSno
EukaryotaMortierella PseudozygosporaPD agarPTR-ToF-MSno
EukaryotaMortierella SolitariaPD agarPTR-ToF-MSno
EukaryotaMortierella ZonataPD agarPTR-ToF-MSno
ProkaryotaStaphylococcus AureusBHI media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaBacillus VelezensisTSA mediaSPME/GC-MSno
ProkaryotaEscherichia Colirocket lysateHS-SPME/GC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaVeillonella Sp.n/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
EukaryotaPenicillium Aurantiogriseumn/an/ano
ProkaryotaBacteroides Biviusn/an/ano
ProkaryotaBacteroides Distasonisn/an/ano
ProkaryotaBacteroides Ovatusn/an/ano
ProkaryotaBacteroides Thetaiotaomicronn/an/ano
ProkaryotaBacteroides Vulgatusn/an/ano
ProkaryotaClostridium Cadaverumn/an/ano
ProkaryotaClostridium Histolyticumn/an/ano
ProkaryotaClostridium Tertiumn/an/ano
ProkaryotaClostridium Bifermentansn/an/ano
ProkaryotaClostridium Fallaxn/an/ano
ProkaryotaClostridium Butyricumn/an/ano
ProkaryotaClostridium Sporogenesn/an/ano
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaPrevotella Loescheiin/an/ano
ProkaryotaPrevotella Intermedian/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaActinobacillus Actinomycetemcomitansn/an/ano
ProkaryotaCapnocytophaga Ochracean/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
ProkaryotaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaAcinetobacter Baumanniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEnterococcus Faecalispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Anaerobiuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaProteus Mirabilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Agalactiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Viridanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
EukaryotaCandida Albicanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
ProkaryotaArthrobacter AgilisLB medium/NA mediumSPME-GC/MSno
ProkaryotaPseudomonas BrassicacearumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaStaphylococcus EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
ProkaryotaAcetobacter Indonesiensissugared green and black teaHS-SPME-GC/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
EukaryotaAspergillus Flavusinoculated potato samplesGC-MSno


Heptanoic Acid

Mass-Spectra

Compound Details

Synonymous names
HEPTANOIC ACID
111-14-8
Enanthic acid
n-Heptanoic acid
Oenanthic acid
Enanthylic acid
Heptoic acid
n-Heptylic acid
n-Heptoic acid
Heptylic acid
Oenanthylic acid
1-Hexanecarboxylic acid
Hexacid C-7
FEMA No. 3348
Heptanoic acid (natural)
NSC 2192
CCRIS 6042
enanthoic acid
Hepthlic acid
HSDB 5546
UNII-THE3YNP39D
THE3YNP39D
EINECS 203-838-7
MFCD00004426
Technetium Medronate
BRN 1744723
DTXSID2021600
CHEBI:45571
AI3-02073
Artec ultra conditioning teat dip
HEPTANOIC AICD-
NSC-2192
DTXCID301600
NSC2192
EC 203-838-7
4-02-00-00958 (Beilstein Handbook Reference)
C7:0
sec-Heptanoic acid
101488-09-9
ENANTHIC ACID (USP-RS)
ENANTHIC ACID [USP-RS]
HEPTANOIC-2,2-D2 ACID
CAS-111-14-8
SHV
TESTOSTERONE ENANTATE IMPURITY A (EP IMPURITY)
TESTOSTERONE ENANTATE IMPURITY A [EP IMPURITY]
Heptansaeure
Oenanthsaeure
Cynergy
Hexacid
heptanoic-acid
Artec
WinterCare
Cynergy Barrier
Winter Dip
1-heptanoic acid
Chem-Star Recover
Acid C7 heptanoic
DKL
Heptanoic Acid Anion
Heptanoic--d7 Acid
hexane carboxylic acid
Chem-Star Code Green
Heptanoic acid, 96%
hexane-1-carboxylic acid
Chem-Star Barrier 710
Heptanoic acid, >=97%
SCHEMBL3564
WLN: QV6
5-HEXACID C-7
HEPTANOIC ACID [MI]
NCIOpen2_005395
Heptanoic acid, 97%, FG
Heptanoic acid, natural, FG
MLS002415755
CH3-(CH2)5-COOH
HEPTANOIC ACID [FHFI]
HEPTANOIC ACID [HSDB]
CHEMBL320358
HMS2267D15
Heptanoic acid, analytical standard
AMY41347
Tox21_201830
Tox21_300342
FA 7:0
Heptanoic acid, >=98.0% (GC)
Heptanoic acid, >=99.0% (GC)
LMFA01010007
STL481898
AKOS000119950
DB02938
HEPTANOIC ACID (ENANTIC ACID)
MCULE-1489137568
NCGC00091189-01
NCGC00091189-02
NCGC00091189-03
NCGC00254267-01
NCGC00259379-01
SMR001261667
H0030
NS00010236
EN300-19601
C17714
Q297592
Q-201191
E3F2CC4A-F2B5-4353-8922-355FA750FEAC
F0001-0233
Z104474412
Enanthic Acid, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9
Microorganism:

Yes

IUPAC nameheptanoic acid
SMILESCCCCCCC(=O)O
InchiInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
FormulaC7H14O2
PubChem ID8094
Molweight130.18
LogP2.5
Atoms9
Bonds5
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic compounds organic acids
CHEBI-ID45571
Supernatural-IDSN0230635

mVOC Specific Details

Boiling Point
DegreeReference
222.2 °C peer reviewed
Volatilization
A pKa of 4.8(1) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution IUPAC Chemical Data Series No.23 NY, NY: Pergamon Press. p. 287 (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; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of undissociated heptanoic acid is estimated as 490(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated heptanoic acid is expected to have moderate mobility in soil. The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely 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) Sangster J; LOGKOW Databank, Sangster Res Lab, Montreal Quebec, Canada (1994) (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; Ionisation Constants of Organic Acids in Aqueous Solution IUPAC Chemical Data Series No.23 NY, NY: Pergamon Press. p. 287 (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
1.07X10-2 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaBacteroides Fragilisclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaClostridium Bifermentansclinical exudatesJulak et al. 2003
ProkaryotaClostridium Difficileclinical exudatesJulak et al. 2003
ProkaryotaClostridium Perfringensclinical exudatesJulak et al. 2003
ProkaryotaClostridium Ramosumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Septicumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Sporogenesclinical exudatesJulak et al. 2003
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
ProkaryotaLactobacillus PlantarumZhang et al. 2023
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Bifermentanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Sporogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Hexanoic Acid

Compound Details

Synonymous names
SCHEMBL4619316
Microorganism:

Yes

IUPAC namehexanoic acid
SMILESCCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O
InchiInChI=1S/3C6H12O2/c3*1-2-3-4-5-6(7)8/h3*2-5H2,1H3,(H,7,8)
FormulaC18H36O6
PubChem ID87701314
Molweight348.5
LogP0
Atoms24
Bonds12
H-bond Acceptor6
H-bond Donor3
Chemical Classificationacids carboxylic acids organic acids

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno


Hexanoic Acid

Compound Details

Synonymous names
hexanoic acid (caproic acid)
SCHEMBL160301
Microorganism:

Yes

IUPAC namehexanoic acid
SMILESCCCCCC(=O)O.CCCCCC(=O)O
InchiInChI=1S/2C6H12O2/c2*1-2-3-4-5-6(7)8/h2*2-5H2,1H3,(H,7,8)
FormulaC12H24O4
PubChem ID23616664
Molweight232.32
LogP0
Atoms16
Bonds8
H-bond Acceptor4
H-bond Donor2
Chemical Classificationacids carboxylic acids organic acids

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


(12S)-12-methyltetradecanoic Acid

Compound Details

Synonymous names
(12S)-12-Methyltetradecanoic acid
5746-58-7
(S)-12-Methyltetradecanoic acid
SCHEMBL22612557
DTXSID70581533
BNV
Microorganism:

Yes

IUPAC name(12S)-12-methyltetradecanoic acid
SMILESCCC(C)CCCCCCCCCCC(=O)O
InchiInChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
FormulaC15H30O2
PubChem ID16048574
Molweight242.4
LogP5.5
Atoms17
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
Supernatural-IDSN0432624-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


(Z)-11-methyldodec-2-enoic Acid

Compound Details

Synonymous names
cis-11-Methyl-2-dodecenoic acid
677354-23-3
(Z)-11-methyldodec-2-enoic Acid
cis-Delta2-11-methyl-Dodecenoic Acid
cis-.DELTA.2-11-methyl-Dodecenoic Acid
(2Z)-11-METHYLDODEC-2-ENOIC ACID
SCHEMBL1470934
CHEBI:81585
(Z)-11-methyldodec-2-enoicAcid
11-Methyl-2(Z)-Dodecenoic acid
HMS3650M21
MFCD09263531
AKOS025119220
cis- delta 2-11-methyl-Dodecenoic Acid
WS-01879
DB-326107
HY-134215
CS-0139741
C18206
D86952
SR-01000946813
SR-01000946813-1
cis-11-Methyl-2-dodecenoic acid, >=90.0% (HPLC)
Q27155475
(Z)-11-methyldodec-2-enoic acid CAS 677354-23-3
Microorganism:

Yes

IUPAC name(Z)-11-methyldodec-2-enoic acid
SMILESCC(C)CCCCCCCC=CC(=O)O
InchiInChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
FormulaC13H24O2
PubChem ID11469920
Molweight212.33
LogP5.1
Atoms15
Bonds9
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID81585

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaXanthomonas CampestrisDiffusible signal factor (DSF)NARyan and Dow 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaXanthomonas Campestrisn/an/ano


(E)-heptadec-9-enoic Acid

Compound Details

Synonymous names
9E-heptadecenoic acid
(E)-Heptadec-9-enoic acid
9-Heptadecenoic acid
76261-97-7
C17:1n-8
FA 17:1
(E)-9-Heptadecenoic acid
SCHEMBL419075
CHEBI:80550
DTXSID401020794
LMFA01030289
10136-52-4
FA(17:1(9E))
Q27149593
Microorganism:

Yes

IUPAC name(E)-heptadec-9-enoic acid
SMILESCCCCCCCC=CCCCCCCCC(=O)O
InchiInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+
FormulaC17H32O2
PubChem ID5312440
Molweight268.4
LogP6.9
Atoms19
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID80550
Supernatural-IDSN0313681-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomycetes Sp.n/an/ano


(E)-hexadec-9-enoic Acid

Compound Details

Synonymous names
PALMITELAIDIC ACID
10030-73-6
9-Hexadecenoic acid, (9E)-
9-HEXADECENOIC ACID
(E)-hexadec-9-enoic acid
trans-9-hexadecenoic acid
trans-palmitoleic acid
2091-29-4
9-trans-hexadecenoic acid
hexadec-9-enoic acid
(9E)-Hexadec-9-enoic acid
9E-hexadecenoic acid
t-9-hexadecenoic acid
trans-9-palmitoleic acid
(9E)-9-Hexadecenoic acid
DTXSID7021603
CHEBI:59265
65DJ825A3Z
Palmitolinoleic acid
9-Hexadecenoic acid, (9Z)-
trans-9-Hexadecenoate
(9E)-hexadecenoic acid
DTXCID501603
C16:1n-7
9-Hexadecenoic acid, (E)-
CAS-10030-73-6
(E)-9-Hexadecenoic acid
cis-.delta.9-Hexadecenoic acid
UNII-65DJ825A3Z
AI3-36444
NSC277452
t-9-Hexadecenoate
9-trans-Hexadecenoate
(E)-Palmitoleic acid
(E)-9-Hexadecenoate
9-trans-Hexadecenoic acid;trans-Palmitoleic acid
(9E)-9-Hexadecenoate
(E)-9-hexadecenoicacid
16:1 omega-7
SCHEMBL33311
C16:1 (trans-9) acid
SCHEMBL154754
(9E)-9-Hexadecenoic acid #
CHEMBL3182018
PALMITOLEIC ACID, (E)-
CHEBI:72004
trans-Delta(9)-hexadecenoic acid
HY-N2341
Tox21_202178
Tox21_302976
LMFA01030057
t-16:1D9
AKOS015893003
CS-6346
NCGC00249181-01
NCGC00256330-01
NCGC00259727-01
AS-76823
NS00077091
J-000092
Q27139858
Q27888066
Microorganism:

Yes

IUPAC name(E)-hexadec-9-enoic acid
SMILESCCCCCCC=CCCCCCCCC(=O)O
InchiInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
FormulaC16H30O2
PubChem ID5282745
Molweight254.41
LogP6.4
Atoms18
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID72004
Supernatural-IDSN0342988-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomycetes Sp.n/an/ano


(E)-pentadec-2-enoic Acid

Compound Details

Synonymous names
2-pentadecenoic acid
Pentadecenoic acid
(E)-pentadec-2-enoic acid
C15:1n-13
trans-2-pentadecenoic acid
(2E)-pentadec-2-enoic acid
SCHEMBL258380
CHEBI:78992
LMFA01030052
Microorganism:

Yes

IUPAC name(E)-pentadec-2-enoic acid
SMILESCCCCCCCCCCCCC=CC(=O)O
InchiInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)/b14-13+
FormulaC15H28O2
PubChem ID5282742
Molweight240.38
LogP6.5
Atoms17
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID78992
Supernatural-IDSN0131030-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomycetes Sp.n/an/ano


(E)-tetradec-2-enoic Acid

Compound Details

Synonymous names
2-Tetradecenoic acid
Tetradec-2-enoic acid
Tetradecenoic acid
(E)-tetradec-2-enoic acid
26444-03-1
39525-69-4
trans-2-tetradecenoic acid
trans-Tetra-dec-2-enoic acid
C14:1n-12
acido 2-tetradecanoico
(E)-2-tetradecenoic acid
2-Tetradecensaeure
EINECS 254-492-9
Tetradec-2-ensaeure
Tetradec-2-enoicacid
acide 2-tetradecenoique
trans-2-Tetradecensaeure
omega12-myristoleic acid
1-tridecenylcarboxylic acid
trans-tetradec-2-enoic acid
acido trans-2-tetradecenoico
14:1, n-12 trans
acide trans-2-tetradecenoique
C14:1, n-12 trans
(2E)-tetradec-2-enoic acid
SCHEMBL1359533
CHEMBL4277587
CHEBI:37271
CHEBI:61366
AMY37908
LMFA01030047
AKOS003238540
C14:1, n-12
14:1, n-12
Q27117091
Q27131059
Microorganism:

Yes

IUPAC name(E)-tetradec-2-enoic acid
SMILESCCCCCCCCCCCC=CC(=O)O
InchiInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+
FormulaC14H26O2
PubChem ID5282738
Molweight226.35
LogP5.9
Atoms16
Bonds11
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID37271
Supernatural-IDSN0141501-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCarnobacterium Divergensn/an/ano