Results for:
Species: Streptomycetes sp.

2-ethenyl-6-methoxyphenol

Compound Details

Synonymous names
2-ethenyl-6-methoxyphenol
Phenol, 2-ethenyl-6-methoxy-
120550-69-8
vinylguaiacol
Phenol, 2-ethenyl-6-methoxy- (9CI)
2-methoxy-6-vinyl-phenol
SCHEMBL60623
DTXSID70152904
ZMAYRLMREZOVLE-UHFFFAOYSA-N
DB-288448
EN300-1828066
Microorganism:

Yes

IUPAC name2-ethenyl-6-methoxyphenol
SMILESCOC1=CC=CC(=C1O)C=C
InchiInChI=1S/C9H10O2/c1-3-7-5-4-6-8(11-2)9(7)10/h3-6,10H,1H2,2H3
FormulaC9H10O2
PubChem ID183539
Molweight150.17
LogP2.3
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds phenols ethers
Supernatural-IDSN0474067

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


2-phenylpropan-2-ol

Mass-Spectra

Compound Details

Synonymous names
2-Phenyl-2-propanol
2-Phenylpropan-2-ol
617-94-7
Dimethylphenylcarbinol
1-Hydroxycumene
Dimethylphenylmethanol
2-PHENYLISOPROPANOL
alpha-Cumyl alcohol
alpha,alpha-Dimethylbenzyl alcohol
Phenyldimethylcarbinol
2-Propanol, 2-phenyl-
2-phenyl-propan-2-ol
Dimethyl phenyl carbinol
alpha,alpha-Dimethylbenzenemethanol
a,a-dimethylbenzyl alcohol
NSC 1261
Benzyl alcohol, alpha,alpha-dimethyl-
Benzenemethanol, alpha,alpha-dimethyl-
NSC 212537
.alpha.-Cumyl alcohol
Benzenemethanol, .alpha.,.alpha.-dimethyl-
MFCD00004456
.alpha.,.alpha.-Dimethylbenzyl alcohol
Benzyl alcohol, .alpha.,.alpha.-dimethyl-
JE030BGE05
DTXSID3027247
NSC-1261
NSC-212537
Benzyl alcohol,.alpha.-dimethyl-
Benzenemethanol,.alpha.-dimethyl-
2-phenylpropanol-2
HSDB 5718
EINECS 210-539-5
BRN 1905012
UNII-JE030BGE05
AI3-05532
dimethylphenyl carbinol
2-Phenylisopropyl alcohol
1-Methyl-1-phenylethanol
2-Hydroxy-2-phenylpropane
EC 210-539-5
4-06-00-03219 (Beilstein Handbook Reference)
SCHEMBL164244
2-Phenyl-2-propanol, 97%
DTXCID107247
CHEMBL3185495
alpha,alpha-dimethylbenzyl aldohol
NSC1261
(1-hydroxy-1-methylethyl)benzene
CHEBI:131607
2-PHENYLISOPROPANOL [HSDB]
AMY25731
STR08958
Tox21_200449
NSC212537
AKOS009158102
CS-W016526
HY-W015810
MCULE-1685813708
PB47644
PS-4036
.alpha.,.alpha.-Dimethylbenzenemethanol
NCGC00248623-01
NCGC00258003-01
CAS-617-94-7
SY021550
NS00010783
P0213
BENZENEMETHANOL, ALPHA, ALPHA, DIMETHYL
EN300-120905
P15346
A868634
W-105093
Q15726116
InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H
Microorganism:

Yes

IUPAC name2-phenylpropan-2-ol
SMILESCC(C)(C1=CC=CC=C1)O
InchiInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
FormulaC9H12O
PubChem ID12053
Molweight136.19
LogP1.8
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic alcohols alcohols aromatic compounds
CHEBI-ID131607
Supernatural-IDSN0022302

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-phenylisopropanol is estimated as 3.8X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-phenylisopropanol will be essentially nonvolatile from water surfaces(2,SRC). 2-Phenylisopropanol's vapor pressure, 0.047 mm Hg(3,SRC) indicates that volatilization from dry soil surfaces may occur. However, 2-phenylisopropanol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may not occur(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)
Solubility
INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-52
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 2-phenylisopropanol can be estimated to be about 36(SRC). The Koc of 2-phenylisopropanol can also be estimated to be approximately 274(SRC), using an estimated log Kow of 1.95(2,SRC) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these estimated Koc values suggest that 2-phenylisopropanol has very high to medium mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.52 mm Hg at 37.8 deg CYaws CL; Handbook of Vapor Pressure Vol 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co pg 127 (1994)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Aeruginosastimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaPseudomonas Sp.stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBacillus Sp.stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBrevibacillus Agristimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaAneurinibacillus Aneurinilyticusstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStreptomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
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
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB mediaSPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaSPME/GC-MSno
ProkaryotaBacillus Sp.LB mediaSPME/GC-MSno
ProkaryotaBrevibacillus AgriLB mediaSPME/GC-MSno
ProkaryotaAneurinibacillus AneurinilyticusLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus AureusLB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisLB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaStreptomyces Sp.n/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
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no


Methyl 4-hydroxybenzoate

Mass-Spectra

Compound Details

Synonymous names
Methyl 4-hydroxybenzoate
METHYLPARABEN
99-76-3
Methyl paraben
Methyl p-hydroxybenzoate
Nipagin
Methyl parahydroxybenzoate
Tegosept M
Moldex
Maseptol
Preserval M
Methaben
Metoxyde
Preserval
Metaben
Paridol
Septos
Solbrol
Methyl butex
p-Hydroxybenzoic acid methyl ester
p-Methoxycarbonylphenol
Benzoic acid, 4-hydroxy-, methyl ester
Methyl chemosept
p-Carbomethoxyphenol
4-Hydroxybenzoic acid methyl ester
Methyl parasept
Nipagin M
Aseptoform
Methylben
Abiol
Methyl-p-hydroxybenzoate
Methyl p-oxybenzoate
Solbrol M
4-(Methoxycarbonyl)phenol
4-Hydroxybenzoic acid, methyl ester
FEMA No. 2710
Killitol
p-Hydroxybenzoic methyl ester
FEMA Number 2710
Methyl ester of p-hydroxybenzoic acid
p-Oxybenzoesauremethylester
Methylparaben e218
NSC 3827
MFCD00002352
CCRIS 3946
Benzoic acid, p-hydroxy-, methyl ester
HSDB 1184
Methyl paraben (e218)
methyl 4- hydroxybenzoate
Methyl-d3Paraben
UNII-A2I8C7HI9T
NSC-3827
p-Hydroxybenzoic acid, methyl ester
EINECS 202-785-7
A2I8C7HI9T
EPA Pesticide Chemical Code 061201
NSC-406127
BRN 0509801
methyl hydroxybenzoate
DTXSID4022529
INS number 218
CHEBI:31835
Methylis hydroxybenzoas
AI3-01336
INS-218
4-HYDROXY-BENZOIC ACID METHYL ESTER
Methylester kyseliny p-hydroxybenzoove
E218
CHEMBL325372
DTXCID402529
INS NO.218
E-218
NSC3827
EC 202-785-7
4-Hydroxybenzoic acid-methyl ester
NCGC00159376-02
NCGC00159376-04
E 218
METHYLPARABEN (II)
METHYLPARABEN [II]
WLN: QR DVO1
METHYLPARABEN (USP-RS)
METHYLPARABEN [USP-RS]
Methylparaben [USAN]
Caswell No. 573PP
4-Hydroxybenzoic acid-methyl ester 1000 microg/mL in Acetonitrile
METHYL HYDROXYBENZOATE (MART.)
METHYL HYDROXYBENZOATE [MART.]
CAS-99-76-3
SMR000036660
METHYL PARAHYDROXYBENZOATE (EP MONOGRAPH)
METHYL PARAHYDROXYBENZOATE [EP MONOGRAPH]
METHYL SALICYLATE IMPURITY C (EP IMPURITY)
METHYL SALICYLATE IMPURITY C [EP IMPURITY]
p-Oxybenzoesauremethylester [German]
Methylparaben [USAN:NF]
PROPYL HYDROXYBENZOATE IMPURITY B (EP IMPURITY)
PROPYL HYDROXYBENZOATE IMPURITY B [EP IMPURITY]
Metagin
METHYL4-HYDROXYBENZOATE
Lexgard M
Paraben M
Methylester kyseliny p-hydroxybenzoove [Czech]
(Methyl Paraben)
Methylparaben, NF
Methylparaben, FCC
4-carbomethoxyphenol
Methylparaben (NF)
Methylparaben (TN)
Solparol (Salt/Mix)
methyl 4-hydoxybenzoate
methyl 4 hydroxybenzoate
methyl 4-hydroxylbenzoate
methyl 4-hydroxy-benzoate
methyl-4-hydroxy-benzoate
Methyl 4-?Hydroxybenzoate
METHYLPARABEN [MI]
Preserval MS (Salt/Mix)
bmse010009
methyl (4-hydroxy)benzoate
METHYLPARABEN [FCC]
cid_7456
SCHEMBL4440
isLeaf Tattoo Eyebrow Brown
METHYLPARABEN [HSDB]
METHYLPARABEN [INCI]
METHYLPARABEN [VANDF]
MLS001304047
MLS001304187
BIDD:ER0241
4-hydroxybenzoate methyl ester
Methyl 4-Hydroxybenzoate,(S)
INS No. 218
METHYL PARABEN [VANDF]
METHYLPARABEN [WHO-DD]
AMY901
GTPL6273
Methyl parahydroxybenzoate (TN)
4-Hydroxybenzoic acid methylester
methyl 4-hydroxybenzenecarboxylate
HMS2883I08
Methyl Paraben, analytical standard
Methyl parahydroxybenzoate (JP17)
4-hydroxy benzoic acid methyl ester
CS-D1181
HY-N0349
Tox21_111616
Tox21_202318
Tox21_300009
BBL005648
BDBM50209100
CK1194
NSC406127
s3985
STK802470
AKOS000119910
Tox21_111616_1
CCG-266228
DB14212
MCULE-5368262482
METHYL HYDROXYBENZOATE [WHO-IP]
METHYL P-HYDROXYBENZOATE [FHFI]
METHYL PARAHYDROXYBENZOATE [JAN]
USEPA/OPP Pesticide Code: 061201
Methyl 4-hydroxybenzoate, >=99%, FCC
NCGC00159376-03
NCGC00159376-05
NCGC00159376-06
NCGC00253939-01
NCGC00259867-01
SY006626
Methyl 4-?Hydroxybenzoate(Methyl Paraben)
BENZOIC ACID,4-HYDROXY,METHYL ESTER
DB-080628
H0216
M2206
Methyl 4-hydroxybenzoate, analytical standard
Methyl 4-hydroxybenzoate, p.a., 98-102%
NS00001849
EN300-15481
isLeaf Long Lasting Waterproof Eyeliner Black
isLeaf Long Lasting Waterproof Eyeliner Brown
METHYLIS HYDROXYBENZOAS [WHO-IP LATIN]
D01400
Methyl 4-hydroxybenzoate, USP, 98.0-102.0%
A846079
Q229987
Q-200479
Methyl 4-hydroxybenzoate, SAJ first grade, >=98.0%
Methyl 4-hydroxybenzoate, tested according to Ph.Eur.
Z19674820
F1908-0119
Methyl 4-hydroxybenzoate, BioXtra, >=99.0% (titration)
Methylparaben, certified reference material, TraceCERT(R)
Methyl 4-hydroxybenzoate, ReagentPlus(R), >=99.0%, crystalline
Methylparaben, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H
Methyl 4-hydroxybenzoate, BioReagent, suitable for insect cell culture
Methyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard
Methylparaben, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namemethyl 4-hydroxybenzoate
SMILESCOC(=O)C1=CC=C(C=C1)O
InchiInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
FormulaC8H8O3
PubChem ID7456
Molweight152.15
LogP2
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds phenols esters benzenoids
CHEBI-ID31835
Supernatural-IDSN0217790

mVOC Specific Details

Boiling Point
DegreeReference
270.5 deg C (decomposes)Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-376
Volatilization
The Henry's Law constant for methylparaben is estimated as 2.2X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methylparaben is expected to be essentially nonvolatile from water and moist soil surfaces(2). Methylparaben is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.4X10-4 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 2, 2016: http://www2.epa.gov/tsca-screening-tools
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methylparaben can be estimated to be 87(SRC). According to a classification scheme(2), this estimated Koc value suggests that methylparaben is expected to have high mobility in soil. The estimated pKa of methylparaben is 8.5(3), indicating that this compound will exist partially in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 2, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) ACE; ACE and JChem acidity and basicity calculator. ACE UKY-4.0. 2005-2015. Marvin JS. ChemAxon. Available from, as of Nov 2, 2016: https://epoch.uky.edu/ace/public/pKa.jsp (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
PressureReference
2.37X10-4 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 2, 2016: http://www2.epa.gov/tsca-screening-tools
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU237101
Massbank Spectrum MSBNK-Athens_Univ-AU237102
Massbank Spectrum MSBNK-Athens_Univ-AU237103
Massbank Spectrum MSBNK-Athens_Univ-AU237104
Massbank Spectrum MSBNK-Athens_Univ-AU237106
Massbank Spectrum MSBNK-Athens_Univ-AU237157
Massbank Spectrum MSBNK-Athens_Univ-AU237158
Massbank Spectrum MSBNK-Athens_Univ-AU237162
Massbank Spectrum MSBNK-Athens_Univ-AU505001
Massbank Spectrum MSBNK-Athens_Univ-AU505003
Massbank Spectrum MSBNK-Athens_Univ-AU505006
Massbank Spectrum MSBNK-Athens_Univ-AU505007
Massbank Spectrum MSBNK-Athens_Univ-AU505008
Massbank Spectrum MSBNK-Athens_Univ-AU505009
Massbank Spectrum MSBNK-Athens_Univ-AU505010
Massbank Spectrum MSBNK-BAFG-CSL23111012669
Massbank Spectrum MSBNK-BAFG-CSL23111012670
Massbank Spectrum MSBNK-BAFG-CSL23111012671
Massbank Spectrum MSBNK-BAFG-CSL23111012672
Massbank Spectrum MSBNK-BAFG-CSL23111012673
Massbank Spectrum MSBNK-BAFG-CSL23111012674
Massbank Spectrum MSBNK-BAFG-CSL23111012675
Massbank Spectrum MSBNK-BAFG-CSL23111012676
Massbank Spectrum MSBNK-BAFG-CSL23111012748
Massbank Spectrum MSBNK-BAFG-CSL23111012749
Massbank Spectrum MSBNK-BAFG-CSL23111012750
Massbank Spectrum MSBNK-BAFG-CSL23111012751
Massbank Spectrum MSBNK-BAFG-CSL23111012752
Massbank Spectrum MSBNK-BAFG-CSL23111012753
Massbank Spectrum MSBNK-BAFG-CSL23111012754
Massbank Spectrum MSBNK-BAFG-CSL23111012755
Massbank Spectrum MSBNK-BAFG-CSL23111012756
Massbank Spectrum MSBNK-BAFG-CSL23111012757
Massbank Spectrum MSBNK-BAFG-CSL23111012758
Massbank Spectrum MSBNK-BAFG-CSL23111012759
Massbank Spectrum MSBNK-BAFG-CSL23111012760
Massbank Spectrum MSBNK-BAFG-CSL23111012761
Massbank Spectrum MSBNK-BAFG-CSL23111012762
Massbank Spectrum MSBNK-BAFG-CSL23111012763
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000067
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002806
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004566

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


Phthalate

Compound Details

Synonymous names
phthalate
3198-29-6
benzene-1,2-dicarboxylate
phthalate(2-)
1,2-Benzenedicarboxylic acid, ion(2-)
z phthalate
3c2r
1,2-benzenedicarboxylate
1,2-Benzenecarboxylic acid
CHEBI:17563
DTXSID10185812
XNGIFLGASWRNHJ-UHFFFAOYSA-L
BBL002898
STK379528
AKOS005449627
A843025
Q27102460
Microorganism:

Yes

IUPAC namephthalate
SMILESC1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]
InchiInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
FormulaC8H4O4-2
PubChem ID181977
Molweight164.11
LogP2
Atoms12
Bonds0
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds esters benzenoids
CHEBI-ID17563

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


2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
2-PHENYLETHANOL
Phenethyl alcohol
Phenylethyl alcohol
60-12-8
Benzeneethanol
Phenylethanol
Benzyl carbinol
Phenethanol
2-Phenylethyl alcohol
2-PHENYL-ETHANOL
beta-Phenylethanol
2-Phenethyl alcohol
Benzylmethanol
2-Phenylethan-1-Ol
Benzylcarbinol
Methanol, benzyl-
2-Hydroxyethylbenzene
1-Phenyl-2-ethanol
Ethanol, 2-phenyl-
FEMA No. 2858
2-PEA
Benzenethanol
Phenethylalcohol
Phenyl ethyl alcohol
beta-PEA
beta-Phenylethyl alcohol
beta-Hydroxyethylbenzene
Caswell No. 655C
beta-Fenylethanol
FEMA Number 2858
1321-27-3
beta-Fenethylalkohol
Phenethyl alcohol (natural)
beta-Phenethyl alcohol
HSDB 5002
2-Phenethanol
.beta.-Hydroxyethylbenzene
.beta.-Phenylethyl alcohol
Hydroxyethylbenzene
EINECS 200-456-2
UNII-ML9LGA7468
MFCD00002886
PhenethylAlcohol-d5
EPA Pesticide Chemical Code 001503
NSC 406252
NSC-406252
BRN 1905732
.beta.-Phenylethanol
ML9LGA7468
.beta.-PEA
DTXSID9026342
CHEBI:49000
AI3-00744
(2-Hydroxyethyl)benzene
.beta.-Phenethyl alcohol
Phenylethyl alcohol [USP]
.beta.-(hydroxyethyl)benzene
DTXCID206342
EC 200-456-2
4-06-00-03067 (Beilstein Handbook Reference)
NSC406252
NCGC00166215-02
Phenylethyl alcohol (USP)
Ethanol, phenyl-
PHENYLETHYL ALCOHOL (II)
PHENYLETHYL ALCOHOL [II]
PHENETHYL ALCOHOL (MART.)
PHENETHYL ALCOHOL [MART.]
Phenyl Ethanol(Natural)
2 Phenylethanol
PHENYLETHYL ALCOHOL (USP-RS)
PHENYLETHYL ALCOHOL [USP-RS]
beta-Fenylethanol [Czech]
2-phenyl ethanol
Carbinol, Benzyl
beta Phenylethanol
CAS-60-12-8
Alcohol, Phenethyl
beta-Fenethylalkohol [Czech]
PEL
SMR000059156
PHENYLETHYL ALCOHOL (USP MONOGRAPH)
PHENYLETHYL ALCOHOL [USP MONOGRAPH]
Alcohol, Phenylethyl
benzene-ethanol
Mellol
phenyl-ethanol
Benzyl-Methanol
2-PhenyIethanol
phenylethyl-alcohol
.beta.-Phenethanol
HY1
.beta.-Fenylethanol
b-Hydroxyethylbenzene
Benzyl ethyl alcohol
2-phenyl-1-ethanol
Benzeneethanol, 9CI
2-phenylethane-1-ol
betaphenylethyl alcohol
.beta.-Fenethylalkohol
2-Phenylethanol, USP
METHANOL, BENZYL
A-PEA
beta -hydroxyethylbenzene
2-Phenylethanol, 99%
.beta.-P.E.A.
(BETA-PEA)
Phenylethyl alcohol, USAN
bmse000659
Phenylethyl, beta- alcohol
2-(2-Hydroxyethyl)benzene
SCHEMBL1838
WLN: Q2R
MLS001066349
MLS001336026
FEMA NUMBER 2858.
PHENETHYL ALCOHOL [MI]
Phenethyl alcohol, 8CI, BAN
CHEMBL448500
beta-(HYDROXYETHYL)BENZENE
PHENETHYL ALCOHOL [FCC]
PHENYLETHYL, B- ALCOHOL
PHENETHYL ALCOHOL [INCI]
BDBM85807
FEMA 2858
HMS2093H05
HMS2233H06
HMS3374P04
Pharmakon1600-01505398
PHENYLETHYL ALCOHOL [FHFI]
PHENYLETHYL ALCOHOL [HSDB]
PHENETHYL ALCOHOL [WHO-DD]
BCP32115
CS-B1821
HY-B1290
NSC_6054
Tox21_113544
Tox21_201322
Tox21_303383
BBL036905
NSC759116
s3703
STL281950
2-Phenylethanol, >=99.0% (GC)
AKOS000249688
Tox21_113544_1
CCG-213419
DB02192
MCULE-8439044075
NSC-759116
CAS_60-12-8
Phenethyl alcohol, >=99%, FCC, FG
NCGC00166215-01
NCGC00166215-03
NCGC00166215-05
NCGC00257347-01
NCGC00258874-01
AC-18484
SBI-0206858.P001
NS00004212
P0084
EN300-19347
C05853
D00192
D70868
Phenethyl alcohol, natural, >=99%, FCC, FG
AB00698274_05
A832606
Q209463
SR-01000763553
Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol
Q-200318
SR-01000763553-2
0DE4CADC-AB8A-4038-BD6F-EBD009885652
F0001-1575
Z104473586
2-phenylethanol;2-Phenylethyl alcohol;Benzeneethanol;Phenylethanol
InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H
Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard
Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
19601-20-8
Microorganism:

Yes

IUPAC name2-phenylethanol
SMILESC1=CC=C(C=C1)CCO
InchiInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FormulaC8H10O
PubChem ID6054
Molweight122.16
LogP1.4
Atoms9
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic alcohols alcohols aromatic compounds benzenoids
CHEBI-ID49000
Supernatural-IDSN0418058

mVOC Specific Details

Boiling Point
DegreeReference
218.2 °C peer reviewed
Volatilization
The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)
Soil Adsorption
Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/Daubert, 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
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
EukaryotaCandida DubliniensisNANAMartins et al. 2007
EukaryotaCandida AlbicansNANAMartins et al. 2007
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaEscherichia ColiNANADixon et al. 2022
EukaryotaCandida AlbicansNANAPerl et al. 2011
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaStreptococcus AgalactiaeNANAJünger et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaCorynebacterium Accolensclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Jeikeiumclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Minutissimumclinical isolate,trunk of adult femaleLemfack et al. 2016
ProkaryotaCorynebacterium Striatumclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus SciuriSouthernflying squirrel skinLemfack et al. 2016
ProkaryotaStaphylococcus Sciuriclinical isolateLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus FischeriNADickschat et al. 2018
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
EukaryotaAureobasidium PullulansNAContarino et al. 2019
EukaryotaMetschnikowia PulcherrimaNAContarino et al. 2019
EukaryotaSaccharomyces CerevisiaeNAContarino et al. 2019
EukaryotaWickerhamomyces AnomalusNAContarino et al. 2019
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
ProkaryotaBacillus SubtilisZhang et al. 2021
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
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaStaphylococcus Pasteuriantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)fruits of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaArthrobacter Ureafaciensantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaPantoea Vagansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaArthrobacter Phenanthrenivoransantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaRahnella Aquatilisantifungal activity on the mycelial growth of Colletotrichum gloeosporioidesisolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of ChinaKong et al. 2020
EukaryotaGrosmannia ClavigeraNorthern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, AlbertaWang et al. 2020
EukaryotaOphiostoma Ipsisolated from bark beetle galleries in lodgepole pineWang et al. 2020
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
EukaryotaMetschnikowia Reukaufiiinhibitory and promoting effects on the growth of different microorganismsisolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaDebaryomyces Hanseniiinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaMrakia Blollopisinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Capitatuminhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaGoffeauzyma Gilvescensinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaRhodotorula Mucilaginosainhibitory and promoting effects on the growth of different microorganismsisolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaSporidiobolus Salmonicolorinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystobasidium Laryngisinhibitory and promoting effects on the growth of different microorganismsisolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaStaphylococcus Aureusn/aNAPreti et al. 2009
EukaryotaHypoxylon AnthochroumNAUlloa-Benítez et al. 2016
EukaryotaFusarium Sp.NATakeuchi et al. 2012
EukaryotaAspergillus Sp.NASeifert and King 1982
EukaryotaPenicillium Sp.NABrock and Dickschat 2013
EukaryotaTrichoderma Sp.NAStoppacher et al. 2010
EukaryotaChaetomium GlobosumNAKikuchi et al. 1983
EukaryotaLasiodiplodia TheobromaeNAMatsumoto and Nago 1994
EukaryotaTuber Sp.NASplivallo et al. 2007
ProkaryotaMyxobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRoseobacter Claden/aNASchulz and Dickschat 2007
ProkaryotaStaphylococcus Xylosusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Sp.n/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaArctic Bacteriumn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
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
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Kururiensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Sordidicolan/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaTuber MelanosporumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaSaccharomyces Cerevisiaecontrol citrus black spot disease fermentation processesToffano et al. 2017
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
EukaryotaAureobasidium PullulansapplesDavis et al. 2012
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
EukaryotaPenicillium CorymbiferumNAPierce et al. 1991
EukaryotaScopulariopsis BrevicaulisNAPierce et al. 1991
EukaryotaFusarium Sp.NAPierce et al. 1991
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaAureobasidium Pullulansattracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al. 2012
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
ProkaryotaBurkholderia KururiensisRhizosphereBlom et al. 2011
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaBranhamella CatarrhalisclinicPreti et al. 2009
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
EukaryotaHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al. 2011
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaSerratia Plymuthican/aNAKai et al. 2007
ProkaryotaStaphylococcus Epidermidisn/aNAKai et al. 2007
ProkaryotaStenotrophomonas Rhizophilan/aNAKai et al. 2007
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
ProkaryotaPseudomonas Aeruginosan/aNAArnold and Senter 1998
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
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 Cerevisiaen/aNABruce et al. 2004
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
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
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaPhoma Sp.nanaNaznin et al. 2014
EukaryotaAmpelomyces Sp.nanaNaznin et al. 2014
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia AndauensisNANALjunggren et al. 2019
EukaryotaMetschnikowia SaccharicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones 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 KluyveriNANAMozūraitis 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
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora RamorumN/APhytophthora ramorumLoulier et al. 2020
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
EukaryotaCyberlindnera FabianiiMa et al. 2023
EukaryotaDebaryomyces HanseniiLi et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
ProkaryotaPediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaStaphylococcus AureusDMEMTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
EukaryotaCandida DubliniensisRPMISPME/GC-MSno
EukaryotaCandida AlbicansRPMISPME/GC-MSno
EukaryotaCandida ParapsilosisTSBSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida AlbicansTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
EukaryotaCandida AlbicansColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptococcus AgalactiaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
ProkaryotaCorynebacterium Accolensbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Jeikeiumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Minutissimumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Striatumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Sciuribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus Fischerimedium 129CLSA-GCMSyes
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
EukaryotaAureobasidium PullulansYPDA(HS)-SPME/GC-MSno
EukaryotaMetschnikowia PulcherrimaYPDA(HS)-SPME/GC-MSno
EukaryotaSaccharomyces CerevisiaeYPDA(HS)-SPME/GC-MSno
EukaryotaWickerhamomyces AnomalusYPDA(HS)-SPME/GC-MSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStenotrophomonas MaltophiliaTYB mediaGC-MSno
ProkaryotaStaphylococcus PasteuriTYB mediaGC-MSno
ProkaryotaArthrobacter UreafaciensTYB mediaGC-MSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaArthrobacter PhenanthrenivoransTYB mediaGC-MSno
ProkaryotaRahnella AquatilisLB mediaHS-SPME/GC-MSyes
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
EukaryotaOphiostoma IpsPDA mediaGC-MSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSno
EukaryotaMetschnikowia Reukaufiiartificial nectar mediaGC-MSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
EukaryotaRhodotorula Mucilaginosaartificial nectar mediaGC-MSno
EukaryotaSporidiobolus Salmonicolorartificial nectar mediaGC-MSno
EukaryotaCystobasidium Laryngisartificial nectar mediaGC-MSno
ProkaryotaStaphylococcus Aureusblood/choclate agarGC-Ms flame photometric detectorno
ProkaryotaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHypoxylon Anthochroumno
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
EukaryotaPenicillium Sp.no
EukaryotaTrichoderma Sp.no
EukaryotaChaetomium Globosumno
EukaryotaLasiodiplodia Theobromaeno
EukaryotaTuber Sp.no
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaRoseobacter Claden/an/ano
ProkaryotaStaphylococcus Xylosusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaCitrobacter Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaEscherichia Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaArctic Bacteriumn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Diastatochromogenesn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Olivaceusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStigmatella Aurantiacan/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
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/an/ano
ProkaryotaBacillus CereusLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhytofirmansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SordidicolaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaSaccharomyces CerevisiaeYEPDAGC/MSno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
EukaryotaAureobasidium PullulansSabouraud dextrose agarGC-MSyes
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
EukaryotaPenicillium CorymbiferumGC-FIDyes
EukaryotaScopulariopsis BrevicaulisGC-FIDyes
EukaryotaFusarium Sp.GC-FIDyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaAureobasidium PullulansSabouraud Dextrose AgarGC/FIDyes
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaBranhamella CatarrhalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHansenula HolstiiPYGGC-MSno
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
ProkaryotaStaphylococcus Sciuri877 liquid mediumSPME-GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaPhomopsis Sp.PDA mediumSPME-GC/MSyes
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaSerratia Plymuthican/an/ano
ProkaryotaStaphylococcus Epidermidisn/an/ano
ProkaryotaStenotrophomonas Rhizophilan/an/ano
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
ProkaryotaPseudomonas AeruginosaHS-SPME/GC-MS no
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
EukaryotaPhellinus Sp.n/an/ano
EukaryotaTuber Aestivumn/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaAmpelomyces Sp.naSPME-GC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
EukaryotaVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Andauensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Saccharicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaAchromobacter 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
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
ProkaryotaEnterobacter 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
ProkaryotaEscherichia ColiLB 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
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
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 KluyveriYPD-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 EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-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
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora RamorumPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
EukaryotaDebaryomyces Hanseniimeat with pork lardGC-MSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaPediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

Synonymous names
GEOSMIN
19700-21-1
(-)-geosmin
Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol
MYW912WXJ4
CHEBI:46702
trans-1,10-dimethyl-trans-decalol
(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol
(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
trans-1,10-Dimethyl-trans-9-decalol
(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-
(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-
(+/-)-Geosmin
1,10-Dimethyl-9-decalol
EINECS 243-239-8
UNII-MYW912WXJ4
rac Geosmin
4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #
4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol
GEOSMIN [MI]
4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL
39 - Geosmin and MIB
SCHEMBL50009
4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-
CHEMBL2374043
FEMA NO. 4682
(4S,4aS,8aR)-Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-
DTXSID801024112
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-
NCGC00165950-01
(+/-)-Geosmin 10 microg/mL in Methanol
(+/-)-Geosmin 100 microg/mL in Methanol
NS00122563
Q420233
Microorganism:

Yes

IUPAC name(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESCC1CCCC2(C1(CCCC2)O)C
InchiInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
FormulaC12H22O
PubChem ID29746
Molweight182.3
LogP3.3
Atoms13
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID46702
Supernatural-IDSN0168756-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaPenicillium DiscolorNASchnürer et al. 1999
EukaryotaPenicillium ExpansumNASchnürer et al. 1999
ProkaryotaStreptomyces Sp.antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean SeaGómez et al. 2021
ProkaryotaStreptomyces Salmoniscontrol of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, ThailanBoukaew et al. 2021
ProkaryotaMyxococcus Xanthusstrongly altered movement of Caenorhabditis elegansLeibniz Institute DSMZ-German Collection of Microorganisms and Cell CulturesZaroubi et al. 2022
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaStreptomyces GriseusNARiu et al. 2022
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2007
ProkaryotaActinomycetes Sp.n/aNADickschat et al. 2007
ProkaryotaCyanobacteria Sp.n/aNADickschat et al. 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStreptomyces Griseusn/aNANawrath et al. 2008
ProkaryotaMyxococcus Xanthusn/aNANawrath et al. 2008
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
EukaryotaPenicillium Expansumn/aNAMattheis and Roberts 1992
ProkaryotaActinobacteria Sp.n/aNAStahl and Parkin 1976
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp./Calothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaPhormidium Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaAnabaena Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCalothrix Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLyngbya Sp.n/aNASchulz and Dickschat 2007
ProkaryotaOscillatoria Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Citreusn/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaMyxococcus Xanthusn/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Antibioticusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sulphureusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Griseusn/aNADickschat et al. 2005
ProkaryotaStreptomyces Coelicolorn/aNADickschat et al. 2005
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2004
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
ProkaryotaStreptomyces GriseusNAGerber and Lechevalier 1965
EukaryotaAspergillus NigerNAPriegnitz et al. 2015
EukaryotaPenicillium Sp.NALarsen and Frisvad 1995
EukaryotaChaetomium GlobosumNAKikuchi et al. 1983
ProkaryotaStreptomyces GriseusnanaGerber and Lechevalier 1965
ProkaryotaStreptomyces AntibioticusnanaGerber and Lechevalier 1965
ProkaryotaStreptomyces FradiaenanaGerber and Lechevalier 1965
ProkaryotaStreptomyces OdorifernanaGerber and Lechevalier 1965
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaPenicillium Discolormalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPenicillium Expansummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaStreptomyces Sp.ISP2 (International Streptomyces Project) mediaGS-MSno
ProkaryotaStreptomyces SalmonisGYM agarSPME/GC-MSno
ProkaryotaMyxococcus Xanthus1 % CTT mediaGC-MSyes
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSyes
ProkaryotaStreptomyces GriseusTSA media, sterile soilSPME/GC-MSno
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AlbusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces OlivaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
EukaryotaPenicillium Expansumn/an/ano
ProkaryotaActinobacteria Sp.n/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaRivularia Sp.n/an/ano
ProkaryotaRivularia Sp./Calothrix Parietinan/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaAnabaena Sp.n/an/ano
ProkaryotaLyngbya Sp.n/an/ano
ProkaryotaOscillatoria Sp.n/an/ano
ProkaryotaStreptomyces Albusn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Citreusn/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Sulphureusn/an/ano
ProkaryotaStreptomyces Coelicolorn/an/ano
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
ProkaryotaStreptomyces Griseusno
EukaryotaAspergillus Nigerno
EukaryotaPenicillium Sp.no
EukaryotaChaetomium Globosumno
ProkaryotaStreptomyces GriseusYD + CaCO3/SBM/Pablum GCno
ProkaryotaStreptomyces AntibioticusSBM/Pablum GCno
ProkaryotaStreptomyces AntibioticusPablumGCno
ProkaryotaStreptomyces FradiaePablumGCno
ProkaryotaStreptomyces FradiaeSBM Pablum GCno
ProkaryotaStreptomyces OdoriferYD + CaCO3/SBM/Pablum GCno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
EukaryotaPenicillium CommuneDG18,MEAGC/MSno
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno


(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


12-methyltridecanoic Acid

Compound Details

Synonymous names
12-methyltridecanoic acid
2724-57-4
Aseanostatin P1
ISOMYRISTIC ACID
Tridecanoic acid, 12-methyl-
12-methyltridecylic acid
Tridecanoic acid,12-methyl-
12-methyl-tridecanoic acid
(+)-Isomyristic acid
Tridecanoic acid, 12-methyl
J1241I451J
iso-C14:0
Aseonostatin P1
UNII-J1241I451J
12-Methyltridecansaeure
C14:0 iso
iso-14:0
12-Methyltridecancarbonsaeure
SCHEMBL399776
CHEBI:43722
DTXSID30181694
i14:0
LMFA01020007
AKOS040735159
MCULE-7115259280
PD164116
HY-131420
CS-0134289
NS00028275
12-Methyltridecanoic acid, 98% (capillary GC)
A928070
J-016708
Q27104512
Microorganism:

Yes

IUPAC name12-methyltridecanoic acid
SMILESCC(C)CCCCCCCCCCC(=O)O
InchiInChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
FormulaC14H28O2
PubChem ID520298
Molweight228.37
LogP5
Atoms16
Bonds11
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID43722
Supernatural-IDSN0463962

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


15-methylhexadecanoic Acid

Compound Details

Synonymous names
15-Methylhexadecanoic acid
1603-03-8
15-Methylpalmitic acid
Isoheptadecanoic acid
15-methyl palmitic acid
isomargaric acid
15-Methyl hexadecanoic acid
Hexadecanoic acid, 15-methyl-
Subtiloheptadecanoic acid
methylpalmitic acid
15-methyl-hexadecanoic acid
Z8I04ZY2JB
iso-C17:0
UNII-Z8I04ZY2JB
iso-margaric acid
C17:0 (iso)
SCHEMBL346565
CHEBI:70850
DTXSID60166853
i-C17:0
HY-N7824
i17:0
LMFA01020012
MFCD00083427
AKOS040756161
i-17:0
PD078123
TS-08887
CS-0138196
E87692
15-Methylpalmitic acid, >=98% (capillary GC)
J-009708
Q27139144
Microorganism:

Yes

IUPAC name15-methylhexadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
FormulaC17H34O2
PubChem ID164860
Molweight270.5
LogP6.6
Atoms19
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID70850
Supernatural-IDSN0146791

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


13-methyltetradecanoic Acid

Compound Details

Synonymous names
13-Methyltetradecanoic acid
2485-71-4
13-methylmyristic acid
Isopentadecanoic acid
Isopentadecylic acid
Subtilopentadecanoic acid
13-Mtd
LeDSF3
13-METHYLTETRADECANOICACID
M09T9M1LTY
13-methyl-tetradecanoic acid
13-Methyl tetradecanoic acid
Tetradecanoic acid, 13-methyl-
CHEBI:39250
13-Methylmyristate
UNII-M09T9M1LTY
iso-pentadecanoic acid
iso-C15
13-Methyl-tetradecansaeure
iso-C15:0
15:0 iso
SCHEMBL366393
CHEMBL495851
DTXSID90179552
i-C15:0
LMFA01020009
MFCD00083431
AKOS040748729
i-15:0
MS-23435
PD078182
HY-131503
CS-0136053
NS00056584
G12313
13-Methylmyristic acid, >=98% (capillary GC)
A928069
J-015704
Q20179071
Microorganism:

Yes

IUPAC name13-methyltetradecanoic acid
SMILESCC(C)CCCCCCCCCCCC(=O)O
InchiInChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
FormulaC15H30O2
PubChem ID151014
Molweight242.4
LogP5.5
Atoms17
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID39250
Supernatural-IDSN0475712

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


14-methylpentadecanoic Acid

Compound Details

Synonymous names
14-Methylpentadecanoic acid
ISOPALMITIC ACID
Isohexadecanoic acid
4669-02-7
32844-67-0
Pentadecanoic acid, 14-methyl-
IHU3LRR6SX
14-methyl pentadecylic acid
14-methyl-pentadecanoic acid
EINECS 251-256-7
UNII-IHU3LRR6SX
14-Methylpentadecanoicacid
SCHEMBL398305
DTXSID9067726
CHEBI:84890
LMFA01020010
AKOS040734888
BS-1366
HY-W127484
MCULE-2401625440
PD164108
Isopalmitic acid, >=98% (capillary GC)
CS-0185712
NS00029361
W-110827
Q27158155
Microorganism:

Yes

IUPAC name14-methylpentadecanoic acid
SMILESCC(C)CCCCCCCCCCCCC(=O)O
InchiInChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
FormulaC16H32O2
PubChem ID36247
Molweight256.42
LogP6.1
Atoms18
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID84890
Supernatural-IDSN0476015

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


14-methylhexadecanoic Acid

Compound Details

Synonymous names
14-METHYLHEXADECANOIC ACID
5918-29-6
14-Methylpalmitic acid
Anteisoheptadecanoic acid
Anteisomargaric acid
(+)-14-methyl palmitic acid
14-methyl-hexadecanoic acid
Hexadecanoic acid, 14-methyl-
SCHEMBL347119
CHEBI:84874
DTXSID60974612
5746-59-8
LMFA01020011
MFCD00214328
[1,3,5]triazine-2,4,6-trithiol
PD078020
HY-121940
CS-0083720
Q27158141
Microorganism:

Yes

IUPAC name14-methylhexadecanoic acid
SMILESCCC(C)CCCCCCCCCCCCC(=O)O
InchiInChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
FormulaC17H34O2
PubChem ID22207
Molweight270.5
LogP6.6
Atoms19
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID84874
Supernatural-IDSN0098385

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


12-methyltetradecanoic Acid

Compound Details

Synonymous names
12-Methyltetradecanoic acid
5502-94-3
Sarcinic acid
Aseanostatin P5
ANTEISOPENTADECANOIC ACID
12-methyl myristic acid
12-methyl-tetradecanoic acid
methyl myristic acid
12-MTA
anteiso-C15:0
Tetradecanoic acid, 12-methyl-
(S)-Aseanostatin P5
TP0OL0Z8US
CHEBI:39251
anteiso-15:0
UNII-TP0OL0Z8US
12-Methyl tetradecanoic acid
anteiso-C15
15:0 anteiso
12-methylmyristic acid
12-Methyltetradecansaeure
12-Methyl-tetradecansaeure
Compound NP-024794
C15:0ai
AI-PENTADECANOIC ACID
15:0ai
MLS000517264
SCHEMBL397325
(+)-12-methyl myristic acid
CHEMBL495852
aC15:0
DTXSID10970381
XKLJLHAPJBUBNL-UHFFFAOYSA-N
HMS2267L13
METHYL MYRISTIC ACID [INCI]
a15:0
LMFA01020008
MFCD00083664
AKOS040736981
NCGC00247048-01
PD077349
SMR000127417
(+/-)-12-METHYLTETRADECANOIC ACID
HY-121943
CS-0083723
Q27119789
12-Methyltetradecanoic acid; Sarcinic acid; Aseanostatin P5
Microorganism:

Yes

IUPAC name12-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)
FormulaC15H30O2
PubChem ID21672
Molweight242.4
LogP5.5
Atoms17
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID39251
Supernatural-IDSN0432624

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano


Pentadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
PENTADECANOIC ACID
1002-84-2
Pentadecylic acid
n-Pentadecanoic acid
Pentadecyclic acid
n-Pentadecylic acid
NSC 28486
C15:0
MFCD00002745
Pentadecanoic acid, 99%
2,2-DIDEUTEROPENTADECANOIC ACID
CCW02D961F
CHEMBL460025
DTXSID2021652
CHEBI:42504
64118-45-2
NSC-28486
F15
EINECS 213-693-1
BRN 1773831
UNII-CCW02D961F
Pentadecyclate
n-Pentadecylate
AI3-36441
n-Pentadecanoate
pentadecanoic'acid
n-Pentadecanoicacid
pentadecansäure
tetradecylcarboxylic acid
tetradecyl carboxylic acid
bmse000558
SCHEMBL6311
Pentadecanoic acid, >=99%
4-02-00-01147 (Beilstein Handbook Reference)
WLN: QV14
DTXCID601652
FA 15:0a
FEMA NO. 4334
AMY5935
PENTADECANOIC ACID [FHFI]
NSC28486
Tox21_201197
BDBM50242348
LMFA01010015
s6234
STL453783
AKOS015903762
CS-W004283
FA 15:0
HY-W004283
MCULE-3630464562
Pentadecanoic acid, analytical standard
NCGC00248954-01
NCGC00258749-01
AS-57005
BP-27916
SY009985
CAS-1002-84-2
Pentadecanoic acid, ~99% (capillary GC)
DB-343938
NS00015703
P0035
EN300-176407
H10804
Pentadecanoic acid; n-Caprylic Acid Sodium Salt
9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C
A897509
Q418951
J-000083
Microorganism:

Yes

IUPAC namepentadecanoic acid
SMILESCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
FormulaC15H30O2
PubChem ID13849
Molweight242.4
LogP5.8
Atoms17
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID42504
Supernatural-IDSN0417048

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
EukaryotaPleurotus EryngiinanaUsami et al. 2014
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
ProkaryotaStreptomycetes Sp.n/an/ano
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


Tetradecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Tetradecanoic acid
MYRISTIC ACID
544-63-8
n-Tetradecanoic acid
Crodacid
n-Tetradecan-1-oic acid
n-Tetradecoic acid
1-Tridecanecarboxylic acid
Myristate
Hydrofol acid 1495
Myristinsaeure
Univol U 316S
Emery 655
tetradecoic acid
Hystrene 9014
Myristic acid, pure
FEMA No. 2764
Myristic acid (natural)
acide tetradecanoique
n-Myristic acid
NSC 5028
CCRIS 4724
HSDB 5686
Philacid 1400
C14:0
Prifac 2942
CH3-[CH2]12-COOH
CHEBI:28875
AI3-15381
NSC-5028
1-tetradecanecarboxylic acid
EINECS 208-875-2
PHILACID-1400
UNII-0I3V7S25AW
PRIFRAC-2942
BRN 0508624
0I3V7S25AW
DTXSID6021666
Edenor C 14
Acid, Myristic
MyristicAcid-13C14
CHEMBL111077
DTXCID501666
MYRISTIC-14-13C ACID
NSC5028
4-02-00-01126 (Beilstein Handbook Reference)
MFCD00002744
FA 14:0
n-tetradecan-1-oate
MYRISTIC ACID (II)
MYRISTIC ACID [II]
32112-52-0
MYRISTIC ACID (MART.)
MYRISTIC ACID [MART.]
MYRISTIC ACID (USP-RS)
MYRISTIC ACID [USP-RS]
CH3-(CH2)12-COOH
CAS-544-63-8
Acid, Tetradecanoic
Myristic acid [NF]
62217-70-3
myristoate
myristoic acid
n-Tetradecanoate
Tetradecanoicacid
3usx
Myristic acid pure
fatty acid 14:0
Hystrene 9514
TETRADECANSAEURE
1-Tridecanecarboxylate
ACIDO MYNISTICO
MAGNESIUMARSENATE
Myristic acid, 95%
Myristic acid, natural
tridecanecarboxylic acid
Myristic acid (8CI)
Myristic Acid, Reagent
3v2n
3w9k
Myristic acid, puriss.
Univol U 3165
Myristic acid, ?99%
Tetradecanoic acid (9CI)
bmse000737
Epitope ID:176772
MYRISTIC ACID [MI]
SCHEMBL6374
MYRISTIC ACID [FCC]
MYRISTIC ACID [FHFI]
MYRISTIC ACID [HSDB]
MYRISTIC ACID [INCI]
MLS002152942
WLN: QV13
Tetradecanoic (Myristic) acid
GTPL2806
NAA 104
NAA 142
IS_D27-TETRADECANOIC ACID
HMS3039E15
HMS3648O20
Myristic acid, analytical standard
HY-N2041
EINECS 250-924-5
Myristic acid, >=98.0% (GC)
Tox21_201852
Tox21_302781
BDBM50147581
LMFA01010014
s5617
STL185697
Myristic acid, >=95%, FCC, FG
Myristic acid, Sigma Grade, >=99%
AKOS009156714
CCG-266785
DB08231
DS-3833
MCULE-9671122893
NSC 122834
NCGC00091068-01
NCGC00091068-02
NCGC00091068-03
NCGC00256547-01
NCGC00259401-01
AC-34674
BP-27915
SMR001224536
CS-0018531
M0476
NS00010444
EN300-78099
C06424
G74510
Myristic acid, Vetec(TM) reagent grade, 98%
Q422658
SR-01000854525
MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO)
SR-01000854525-3
W-109088
F8889-5016
Z1954802504
EDAE4876-C383-4AD4-A419-10C0550931DB
MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Myristic acid, United States Pharmacopeia (USP) Reference Standard
Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid
Myristic acid, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nametetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
FormulaC14H28O2
PubChem ID11005
Molweight228.37
LogP5.3
Atoms16
Bonds12
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID28875
Supernatural-IDSN0360365

mVOC Specific Details

Boiling Point
DegreeReference
326.2 °C peer reviewed
Volatilization
A pKa of 4.90(1) indicates myristic 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). Myristic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.4X10-6 mm Hg(3).
Literature: (1) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (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 Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)
Soil Adsorption
The Koc of myristic acid is estimated as 50,000 fro the free acid(SRC), using a log Kow of 6.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated myristic acid is expected to be immobile in soil. The pKa of myristic acid is 4.90(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) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (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
1.40X10-6 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 22162
MS-MS Spectrum 201392
MS-MS Spectrum 22161
MS-MS Spectrum 4684 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 21182
MS-MS Spectrum 22735
MS-MS Spectrum 4683 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20611
MS-MS Spectrum 4682 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 201390
MS-MS Spectrum 22734
MS-MS Spectrum 1150 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22733
MS-MS Spectrum 201389
MS-MS Spectrum 20609
MS-MS Spectrum 21183
MS-MS Spectrum 4686 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 22160
MS-MS Spectrum 201388
MS-MS Spectrum 201391
MS-MS Spectrum 4685 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 21184
MS-MS Spectrum 201387
MS-MS Spectrum 1151 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20610
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
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
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/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
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaBurkholderia AndropogonisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


Heptadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
HEPTADECANOIC ACID
506-12-7
Margaric acid
n-Heptadecanoic acid
Margarinic acid
n-Heptadecylic acid
n-Heptadecoic acid
Heptadecylic acid
NSC 3743
C17:0
Normal-heptadecanoic acid
MFCD00002751
68424-37-3
V987Y9OZ8L
CHEBI:32365
margarinate
margaroate
NSC-3743
n-heptadecoate
n-heptadecylate
63399-94-0
EINECS 208-027-1
BRN 1781004
UNII-V987Y9OZ8L
Margarinsaeure
margaric'acid
margaroic acid
Daturinic acid
Daturic acid
heptadecoic acid
AI3-36481
Heptadecanoic acic
X90
EINECS 270-298-7
Normal-heptadecanoate
heptadecansäure
Lead(2+) heptadecanoate
Heptadecanoic acid, 98%
DSSTox_CID_1596
EC 270-298-7
MARGARIC ACID [MI]
SCHEMBL5941
DSSTox_RID_78651
DSSTox_GSID_28306
Heptadecanoic acid, >=98%
4-02-00-01193 (Beilstein Handbook Reference)
WLN: QV16
CH3-[CH2]15-COOH
CHEMBL1172910
DTXSID5021596
FA 17:0a
AMY5932
NSC3743
EINECS 264-123-3
EINECS 266-928-5
Tox21_202550
BBL013181
LMFA01010017
s3336
STL163960
AKOS005716689
CS-W004284
FA 17:0
HY-W004284
MCULE-9357391090
NSC 122836
NCGC00260099-01
AS-57021
BP-27918
BP-30092
SY010570
SDA 19-005-00
CAS-67701-03-5
H0019
NS00019727
EN300-19173
EC 266-928-5
H10748
A871505
Q902204
8EBAABCC-09B2-43FB-945D-A70E5905BFBE
Z104473032
Microorganism:

Yes

IUPAC nameheptadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
FormulaC17H34O2
PubChem ID10465
Molweight270.5
LogP6.9
Atoms19
Bonds15
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID32365
Supernatural-IDSN0183450

mVOC Specific Details

Boiling Point
DegreeReference
363 median
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomycetes Sp.n/an/ano
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno


Octadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
stearic acid
Octadecanoic acid
57-11-4
n-Octadecanoic acid
Stearophanic acid
Cetylacetic acid
1-Heptadecanecarboxylic acid
Pearl stearic
Stearex Beads
Octadecansaeure
Stearinsaeure
Vanicol
Hydrofol Acid 150
Century 1240
Glycon DP
Glycon TP
Industrene R
Stearate
Formula 300
Hydrofol 1895
Hystrene 7018
Hystrene 9718
Glycon S-80
Glycon S-90
octadecoic acid
Tegostearic 254
Tegostearic 255
Tegostearic 272
Hystrene 80
Humko Industrene R
Hydrofol acid 1655
Hydrofol acid 1855
Hystrene S-97
Hystrene T-70
Industrene 5016
Dar-chem 14
Emersol 120
Emersol 132
Hystrene 4516
Hystrene 5016
Groco 54
Groco 55
Groco 55L
Groco 58
Groco 59
Glycon S-70
Industrene 8718
Industrene 9018
Emersol 150
Kam 1000
Barolub FTA
FEMA No. 3035
Acidum stearinicul
C18:0
Caswell No. 801D
Oktadekansaeure
HY-Phi 1199
HY-Phi 1205
HY-Phi 1303
HY-Phi 1401
acide stearique
Kam 2000
Kam 3000
Steric acid
Century 1210
acide octadecanoique
Stearic acid, pure
PD 185
NAA 173
CCRIS 2305
Stearic acid 50
HSDB 2000
Emersol 153NF
Dervacid 3155
Purified stearic acid
Adeka sa 300
Century 1220
Century 1230
Emersol 6349
Hydrofol Acid 150 (VAN)
NSC 25956
Lunac S 40
Hydrofol Acid 1895
Prifac 2918
Promulsin
EPA Pesticide Chemical Code 079082
Vis-Plus
AI3-00909
UNII-4ELV7Z65AP
EINECS 200-313-4
n-Octadecylic acid
4ELV7Z65AP
NSC-25956
Pristerene 4900
Hystrene S 97
Hystrene T 70
Stearic Acid Cherry
Edenor C18
Edenor ST 1
Sunfat 18S
BRN 0608585
Emersol 153
Selosol 920
Stearic acid (TN)
Hystrene 9718NF
Kortacid 1895
Lunac 30
CH3-[CH2]16-COOH
DTXSID8021642
Loxiol G 20
CHEBI:28842
Lunac S 20
Lunac S 30
Lunac S 90
Lunac S 90KC
Hystrene 9718NFFG
MFCD00002752
NSC-261168
CHEMBL46403
17FA
DTXCID301642
EC 200-313-4
4-02-00-01206 (Beilstein Handbook Reference)
NSC25956
FA 18:0
NCGC00091596-02
STEARIC ACID (II)
STEARIC ACID [II]
400JB9103-88
A 1760
68937-76-8
STEARIC ACID (MART.)
STEARIC ACID [MART.]
STEARIC ACID (USP-RS)
STEARIC ACID [USP-RS]
CH3-(CH2)16-COOH
Oktadekansaure
Stearicacid
Lunac
STEARIC ACID (EP MONOGRAPH)
STEARIC ACID [EP MONOGRAPH]
CAS-57-11-4
Isostearic acid EX
Haimaric MKH(R)
Prisorine 3501
Prisorine 3502
Prisorine 3508
Emersol 871
Emersol 875
Emery 875D
Emery 871
Unimac 5680
C-Lube 10
Stearic acid [JAN:NF]
octadecansaure
Stearinsaure
Stearophanate
Stearex
Tsubaki
n-Octadecanoate
Bassinic acid
Lactaric acid
Talgic acid
Doctor Plus
Edenor htict-n
1hmr
1hmt
4fnn
Kiri stearic acid
Obeo Baby Bubble
Jinhwagwangsu Hair
Lunac YA
Palmitostearic acid
Stearic acid 70
Stearic acid, CP
Sterene 60b
Sterene 60r
EINECS 250-178-0
F 3 (lubricant)
Industrene 4518
Jinhwagwangsu Bubble
Nonsoul SK 1
Pristerene 4904
Pristerene 4910
Pristerene 4916
Pristerene 4963
Pristerene 4981
Pristerene 9429
Pristerene 9559
Pristerine 4989
CELOZOLE
fatty acid 18:0
Sterene 460
Industrene 5016K
Radiacid 0427
Edenor ST 20
Serfax MT 90
Stearic acid_ravikumar
Unister NAA 180
Century 1224
NORSOREX AP
Edenor HT-JG 60
Stearic acid (8CI)
Stearic acid, puriss.
Hyfac 410
Hyfac 420
Hyfac 421
Hyfac 422
Hystrene 7018 FG
Lunac S 50
Lunac S 98
Prifac 5905
3v2p
875D
1-Heptadecanecarboxylate
Industrene 7018 FG
AFCO-Chem B 65
Heptadecanecarboxylic acid
Edenor C 18/98
Octadecanoic acid (9CI)
Stearic acid, >=98%
SCHEMBL659
Hystrene 9718 NF FG
bmse000485
STEARIC ACID [MI]
Emery 400 (Salt/Mix)
NEO-FAT 18S
STEARIC ACID [DSC]
STEARIC ACID [JAN]
Stearic acid (JP15/NF)
Stearic acid (JP17/NF)
Emersol 110 (Salt/Mix)
STEARIC ACID [FHFI]
STEARIC ACID [HSDB]
STEARIC ACID [INCI]
NOPCOCERA LU 6418
Stearic acid (reagent grade)
STEARIC ACID [VANDF]
WLN: QV17
STEARIC ACID [WHO-DD]
GTPL3377
WO 2
UNII-X33R8U0062
CELLBN FIRST CARE CLEANSER
NAA 180
Nonsoul SN 1 (*Sodium salt*)
SNA-2000 (*Sodium salt*)
Stearic acid, analytical standard
VLZ 200
S 30C
PURIFIED STEARIC ACID [NF]
Stearic acid, reagent grade, 95%
HY-B2219
ZENOL POWERFULX RECOVERYCREAM
Tox21_111154
Tox21_201887
Tox21_300562
BBL012224
BDBM50240485
LMFA01010018
s5733
SA 200
Stearic acid, >=95%, FCC, FG
STL163565
AKOS005716958
Tox21_111154_1
CCG-267314
DB03193
FA 1655
MCULE-5127577640
NSC 261168
X33R8U0062
NCGC00091596-01
NCGC00091596-03
NCGC00091596-04
NCGC00091596-05
NCGC00254456-01
NCGC00259436-01
E570
VS-03242
Stearic acid, puriss., >=98.5% (GC)
Stearic acid, SAJ first grade, >=90.0%
CS-0021598
G 270
NS00010335
S 300
S0163
EN300-19730
Stearic acid, SAJ special grade, >=95.0%
Stearic acid, Vetec(TM) reagent grade, 94%
C01530
D00119
EC 250-178-0
F70008
Stearic acid 50, tested according to Ph.Eur.
Q209685
SR-01000944717
STEARIC ACID (CONSTITUENT OF SAW PALMETTO)
Melting Point Standard 69-71C, analytical standard
SR-01000944717-1
Stearic acid, Grade I, >=98.5% (capillary GC)
Stearic acid, SAJ first grade, >=90.0%, powder
F0001-1489
STEARIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Stearic acid, certified reference material, TraceCERT(R)
Z104474964
CD7993EA-AD14-452A-A907-33376CC98790
Stearic acid, European Pharmacopoeia (EP) Reference Standard
Stearic acid, United States Pharmacopeia (USP) Reference Standard
Stearic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
18639-67-3
InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20
Microorganism:

Yes

IUPAC nameoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
FormulaC18H36O2
PubChem ID5281
Molweight284.5
LogP7.4
Atoms20
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID28842
Supernatural-IDSN0306475

mVOC Specific Details

Boiling Point
DegreeReference
371 °C peer reviewed
Volatilization
An estimated pKa of 4.7(1) indicates stearic 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). Stearic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-8 mm Hg at 25 deg C(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (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 Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)
Soil Adsorption
The Koc of undissociated stearic acid is estimated as 710,000(SRC), using a log Kow of 8.23(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated stearic acid is expected to be immobile in soil. The estimated pKa of stearic acid is 4.75(4), indicating that this compound will exist almost entirely in the 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). However, the adsorption of stearate, the anion of stearic acid, was determined using relatively nonpolar marine sediment sand surfaces: anoxic clastic mud from Cape Lookout Bight, NC (3.5 g/g organic carbon, clay), fine carbonate beach sand from Kahana Stream, Oahu, HI (1.3 g/g organic carbon, fine sand and silty clay), and a fine carbonate sand from Waimanalo Beach, Oahu, HI (0.17 g/g organic carbon, fine-very fein sand)(6) Stearate exhibited Kds of 210, 140 and 36, respectively; overall averaging 99% adsorption(6).
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) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (6) Sansone FJ et al; Geochimica et Cosmochimica Acta 51: 1889-96 (1987)
Vapor Pressure
PressureReference
4.28X10-8 mm Hg 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
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAlpha ProteobacteriaStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.NAPonnusamy et al. 2008
ProkaryotaGamma ProteobacteriaStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.NAPonnusamy et al. 2008
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
EukaryotaPleurotus OstreatusnanaÇağlarırmak et al. 2007
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
EukaryotaPleurotus OstreatusnaGC/MSno
EukaryotaPleurotus Sajor-cajunaGC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
ProkaryotaBacillus Acidiproducensbacteriological 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


(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one

Compound Details

Synonymous names
(6R,10S)-10-methyl-6-dodecanolide
(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one
CHEMBL478807
CHEBI:212830
Microorganism:

Yes

IUPAC name(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one
SMILESCCC(C)CCCC1CCCCC(=O)O1
InchiInChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
FormulaC13H24O2
PubChem ID10375901
Molweight212.33
LogP4.1
Atoms15
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters heterocyclic compounds lactones
CHEBI-ID212830
Supernatural-IDSN0097102-01

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