Results for:
Species: Metschnikowia hawaiiensis

Methyl Benzoate

Mass-Spectra

Compound Details

Synonymous names
METHYL BENZOATE
93-58-3
Methylbenzoate
Benzoic acid, methyl ester
benzoic acid methyl ester
Clorius
Methyl benzenecarboxylate
Essence of niobe
Oxidate le
FEMA No. 2683
Methyl benzoate (natural)
Methylester kyseliny benzoove
NSC 9394
CCRIS 5851
HSDB 5283
EINECS 202-259-7
UNII-6618K1VJ9T
DTXSID5025572
CHEBI:72775
AI3-00525
CLORIUS-
6618K1VJ9T
NSC-9394
MFCD00008421
Methyl ester of benzoic acid
DTXCID405572
EC 202-259-7
CAS-93-58-3
UN2938
Methylester kyseliny benzoove [Czech]
Benzoato de metilo
methyloxycarbonylbenzene
benzoic acid methylester
Methyl benzoate, 99%
Methyl-benzenecarboxylate
Benzoic acid-methyl ester
WLN: 1OVR
SCHEMBL7200
METHYL BENZOATE [MI]
MLS001050185
CHEMBL16435
METHYL BENZOATE [FCC]
METHYL BENZOATE [FHFI]
METHYL BENZOATE [HSDB]
METHYL BENZOATE [INCI]
SCHEMBL4790973
SCHEMBL10330498
NSC9394
Methyl benzoate, >=99% (GC)
Methyl benzoate, analytical standard
Tox21_201832
Tox21_303198
BBL010502
STK021498
AKOS000120640
Methyl benzoate, >=98%, FCC, FG
AT34734
MCULE-3681534655
UN 2938
Methyl benzoate, for synthesis, 98.0%
NCGC00091665-01
NCGC00091665-02
NCGC00256939-01
NCGC00259381-01
BP-31073
SMR001216584
VS-02533
B0074
NS00012849
EN300-15500
Methyl benzoate, natural, >=98%, FCC, FG
C20645
A844641
Q417328
J-522592
Methyl benzoate [UN2938] [Keep away from food]
Z19825577
F0001-2239
InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H
Microorganism:

Yes

IUPAC namemethyl benzoate
SMILESCOC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
FormulaC8H8O2
PubChem ID7150
Molweight136.15
LogP2.1
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters
CHEBI-ID72775
Supernatural-IDSN0311624

mVOC Specific Details

Boiling Point
DegreeReference
199 °C peer reviewed
Volatilization
The Henry's Law constant for methyl benzoate is estimated as 3.24X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.38 mm Hg(1), and water solubility, 2.1X10+3 mg/L(2). This Henry's Law constant indicates that methyl benzoate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 22 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 14 days(SRC). Methyl benzoate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl benzoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.38 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds New York, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed. New York, NY: Wiley (1986) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The adsorption of methyl benzoate was determined by a modified version of the OECD guideline 106, a batch equilibrium method, in three soils with different characteristics: an acid forest soil (Podzol), an agricultural soil (Alfisol), and a sediment. The respective Freundlich constants, Kf (1/n), for the three soils were 8.64 (0.81), 1.29 (0.85), and 1.51 (0.84)(1). Koc values for the Podzol, Alfisol and sediment were 178, 103, and 95, respectively(1). Methyl benzoate also has a reported log Koc value of 2.10 (Koc = 126)(2). Using a structure estimation method based on molecular connectivity indices(3), the Koc of methyl benzoate can be estimated to be 70(SRC). According to a classification scheme(3), methyl benzoate is expected to have moderate to high mobility in soil.
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.38 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANANawrath et al. 2012
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
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
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 Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaSerendipita IndicaInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
EukaryotaSerendipita WilliamsiiInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Sp.n/aNASchulz and Dickschat 2007
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
EukaryotaCladosporium Sp.nanaNaznin et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H11GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptomyces Sp.ISP2 (International Streptomyces Project) mediaGS-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisLB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaSerendipita IndicaPD agarPTR-TOF-MSyes
EukaryotaSerendipita WilliamsiiPD agarPTR-TOF-MSyes
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Sp.n/an/ano
EukaryotaPhellinus Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
EukaryotaPhialophora FastigiataDG18GC/MSno
EukaryotaCladosporium Sp.naSPME-GC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Furan-2-carbohydrazide

Compound Details

Synonymous names
furan-2-carbohydrazide
3326-71-4
2-Furoic acid hydrazide
2-Furoic hydrazide
2-Furohydrazide
Furoylhydrazide
2-Furoylhydrazine
2-Furancarbohydrazide
2-Furoylhydrazide
2-Furancarboxylic acid, hydrazide
Furoic acid, hydrazide
2-Furylcarbonylhydrazide
2-furancarboxylic acid hydrazide
2-Furancarbohydrazonic acid
2-FUROIC ACID, HYDRAZIDE
Pyromucic acid hydrazide
2-Furancarbonyl hydrazide
2-Furylcarboxylic acid hydrazide
MFCD00003235
Furan-2-carboxylic acid hydrazide
NSC 11957
NSC 35574
WLN: T5OJ BVMZ
NSC11957
NSC35574
Furancarboxylic acid, hydrazide
2-Furoicacidhydrazide
EINECS 222-046-2
BRN 0114435
AI3-62534
2-furanhydrazide
2-Furoichydrazide
2-furanoic hydrazide
furan 2-carbohydrazide
2-Furoic hydrazide, 98%
5-18-06-00125 (Beilstein Handbook Reference)
SCHEMBL140989
CHEMBL340492
DTXSID10186900
HMS1775C18
CS-M1764
NSC-11957
NSC-35574
STK121925
AKOS000194881
AM10044
MCULE-6130017029
AS-57679
SY048471
DB-048376
DB-293084
F1015
NS00029450
2-Furoic hydrazide, purum, >=97.0% (NT)
EN300-17784
F10405
A821702
AN-068/40170015
J-019120
J-521392
Z57036326
F3145-4915
InChI=1/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8
Microorganism:

Yes

IUPAC namefuran-2-carbohydrazide
SMILESC1=COC(=C1)C(=O)NN
InchiInChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
FormulaC5H6N2O2
PubChem ID18731
Molweight126.11
LogP-0.5
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor2
Chemical Classificationhydrazines ethers furan derivatives heterocyclic compounds nitrogen compounds
Supernatural-IDSN0348234

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl Furan-2-carboxylate

Mass-Spectra

Compound Details

Synonymous names
Methyl 2-furoate
611-13-2
Methyl furan-2-carboxylate
Methyl pyromucate
Methyl 2-furancarboxylate
METHYL FUROATE
2-Furancarboxylic acid, methyl ester
METHYL-2-FUROATE
2-(Methoxycarbonyl)furan
2-FUROIC ACID, METHYL ESTER
Pyromucic acid methyl ester
Methyl 2-furylcarboxylate
2-Furancarboxylic Acid Methyl Ester
Furoic acid, methyl ester
FEMA No. 2703
Furancarboxylic acid, methyl ester
2-Furoic acid methyl ester
NSC 35551
MFCD00003236
O9A8D29YDE
furan-2-carboxylic acid methyl ester
NSC-35551
methyl2-furoate,
CCRIS 2158
EINECS 210-254-6
UNII-O9A8D29YDE
BRN 0111110
AI3-23585
2-methyl furate
Methyl alpha-furoate
Methyl 2-furoate ,
METHYL2-FUROATE
Methyl .alpha.-furoate
Furoic acid methyl ester
Methylfuran-2-carboxylate
methyl uran-2-carboxylate
Methyl 2-furoate, 98%
WLN: T5OJ BVO1
METHYL FUROATE [FCC]
5-18-06-00103 (Beilstein Handbook Reference)
METHYL FUROATE [FHFI]
SCHEMBL363937
METHYL 2-FUROATE [MI]
DTXSID7060598
FEMA 2703
CHEBI:167081
Methyl 2-furoate, >=98%, FG
HY-Y0949
NSC35551
2-furan carboxylic acid methyl ester
s5636
STK397389
AKOS000120062
CCG-266097
CS-W020101
MCULE-5445948487
Methyl 2-furoate, natural, 99%, FG
Furan-alpha-carboxylic acid methyl ester
AS-14803
Furan-.alpha.-carboxylic acid methyl ester
DB-003714
AM20100488
F0075
NS00012896
EN300-15493
D78223
Q-100703
Q22083556
Z19719727
F0001-1604
Microorganism:

Yes

IUPAC namemethyl furan-2-carboxylate
SMILESCOC(=O)C1=CC=CO1
InchiInChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
FormulaC6H6O3
PubChem ID11902
Molweight126.11
LogP1
Atoms9
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds esters ethers furan derivatives heterocyclic compounds
CHEBI-ID167081
Supernatural-IDSN0122567

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANANawrath et al. 2012
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H11GC-MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaNannocystis Exedensn/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
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Methyl 2-phenylacetate

Mass-Spectra

Compound Details

Synonymous names
METHYL PHENYLACETATE
101-41-7
Methyl 2-phenylacetate
Benzeneacetic acid, methyl ester
Methyl benzeneacetate
Methyl alpha-toluate
Methyl phenylethanoate
Methyl benzeneethanoate
Phenylacetic Acid Methyl Ester
Phenylacetic acid, methyl ester
Acetic acid, phenyl-, methyl ester
FEMA No. 2733
EINECS 202-940-9
UNII-D4PDC41X96
NSC 401667
D4PDC41X96
DTXSID1044352
AI3-01971
NSC-9405
NSC-401667
Phenyl-acetic acid methyl ester
DTXCID9024352
HSDB 8384
EC 202-940-9
Methyl .alpha.-toluate
WLN: 1OV1R
Methyl 2-phenyl acetate
Mephaneine
methyl a-toluate
methy phenylacetate
methyl benzylformate
Methyl-2-phenylacetate
SCHEMBL4675
CHEMBL3189123
2-Phenylacetic acid methyl ester
FEMA 2733
Methyl ester of Phenylacetic acid
NSC9405
CHEBI:167404
METHYL PHENYLACETATE [FCC]
METHYL PHENYLACETATE [FHFI]
alpha-phenylacetic acid methyl ester
Tox21_300792
BBL010506
MFCD00008453
NSC401667
STL146152
AKOS000119976
CS-W018528
MCULE-9593207528
Methyl phenylacetate, analytical standard
NCGC00248170-01
NCGC00254696-01
CAS-101-41-7
HY-76063
Methyl phenylacetate, >=98%, FCC, FG
PD157967
PHENYLACETIC ACID METHYL ESTER [MI]
NS00001353
P0125
D77850
Methyl phenylacetate, ReagentPlus(R), >=99%
Q390681
Methyl phenylacetate, Vetec(TM) reagent grade, 98%
Flavor and Extract Manufacturers' Association No. 2733
InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H
Microorganism:

Yes

IUPAC namemethyl 2-phenylacetate
SMILESCOC(=O)CC1=CC=CC=C1
InchiInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
FormulaC9H10O2
PubChem ID7559
Molweight150.17
LogP1.8
Atoms11
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids esters aromatic compounds
CHEBI-ID167404
Supernatural-IDSN0054025

mVOC Specific Details

Boiling Point
DegreeReference
215 °C peer reviewed
Volatilization
The Henry's Law constant for methyl phenylacetate is estimated as 1.4X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl phenylacetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 28 days(SRC). Methyl phenylacetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl phenylacetate has a vapor pressure of 0.13 mm Hg(4) and exists as a liquid at environmental standard temperature and pressure; therefore, methyl phenylacetate may volatilize from dry soil(SRC).
Soil Adsorption
The Koc of methyl phenylacetate is estimated as 74(SRC), using a log Kow of 1.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl phenylacetate is expected to have high mobility in soil.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANASyhre and Chambers 2008
ProkaryotaMycobacterium BovisNANASyhre and Chambers 2008
ProkaryotaMycobacterium AviumNANASyhre and Chambers 2008
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al. 2008
EukaryotaAntrodia CamphorataNAChiang et al. 2013
EukaryotaAntrodia CinnamomeaNAChen et al. 2007
EukaryotaGloeophyllum OdoratumNAKahlos et al. 1994
EukaryotaGloeophyllum OdoratumnaSachsenwald near HamburgRösecke et al. 2000
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium TuberculosisBacT/Alert® MPSPME/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolSPME/GC-MSno
ProkaryotaMycobacterium AviumBacT/Alert® MPSPME/GC-MSno
ProkaryotaMycobacterium TuberculosisLG + glycerolSPME/GC-MSno
ProkaryotaMycobacterium Bovissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium AviumLG + glycerolSPME/GC-MSno
ProkaryotaMycobacterium BovisBacT/Alert® MPSPME/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MSno
EukaryotaAntrodia Camphoratano
EukaryotaAntrodia Cinnamomeano
EukaryotaGloeophyllum Odoratumno
EukaryotaGloeophyllum OdoratumnaGC/MSno
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno


(3R)-3,7-dimethyloct-6-en-1-ol

Compound Details

Synonymous names
D-Citronellol
1117-61-9
(R)-Citronellol
(R)-(+)-beta-Citronellol
(3R)-3,7-dimethyloct-6-en-1-ol
(R)-(+)-Citronellol
6-Octen-1-ol, 3,7-dimethyl-, (3R)-
(R)-3,7-Dimethyloct-6-en-1-ol
(R)-beta-Citronellol
beta-Citronellol, (R)-
6-Octen-1-ol, 3,7-dimethyl-, (R)-
(R)-3,7-Dimethyl-6-octen-1-ol
UNII-P01OUT964K
P01OUT964K
(+)-beta-Citronellol
CITRONELLOL, D-
EINECS 214-250-5
AI3-00204
CHEBI:10360
DTXSID00880647
6-Octen-1-ol, 3,7-dimethyl-, (theta)-
FEMA No. 2309
(+)-citronellol
(R)-(+)-.beta.-Citronellol
b-citronellol
MFCD00063215
(+)-A-Citronellol
(+)-R-Citronellol
Hydrating Treatment Toner
CITRONELLOL [FCC]
CITRONELLOL [FHFI]
CITRONELLOL [INCI]
(R)-(+)-b-Citronellol
(R)-(+)-ss-Citronellol
SCHEMBL21321
(R)-(+)-beta -Citronellol
(R)-3,7-dimethyl-6-octenol
(R)-(+)- beta -Citronellol
CHEMBL1907993
Hydrating extra concentrate serum
3,7-Dimethyl-6-octen-1-ol #
DTXCID601022015
.BETA.-CITRONELLOL, (R)-
R-(+)-.BETA.-CITRONELLOL
(R)-(+)-beta-Citronellol, 98%
3,7-Dimethyl-(R)-6-Octen-1-ol
Purifying relief soothing gel essence
3,7-Dimethyl-(3R)-6-Octen-1-ol
AKOS028108897
D-Citronellol;(R)-(+)--Citronellol
.BETA.-CITRONELLOL, R-(+)-
LMPR0102010008
MCULE-3946157075
6-Octen-1-ol,3,7-dimethyl-,(3R)-
NCGC00249168-01
(R)-(+)-3,7-dimethyl-oct-6-en-1-ol
HY-124257
CS-0086047
NS00003343
C09849
F82355
A901635
Q418813
J-511419
Microorganism:

Yes

IUPAC name(3R)-3,7-dimethyloct-6-en-1-ol
SMILESCC(CCC=C(C)C)CCO
InchiInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
FormulaC10H20O
PubChem ID101977
Molweight156.26
LogP3.2
Atoms11
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationterpenes alcohols
CHEBI-ID10360
Supernatural-IDSN0309689-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl 2-hydroxy-3-methylbutanoate

Compound Details

Synonymous names
Methyl 2-hydroxy-3-methylbutanoate
17417-00-4
2-hydroxy-3-methylbutyric acid methyl ester
21632-23-5
Butyric acid, 2-hydroxy-3-methyl-, methyl ester
Butanoic acid, 2-hydroxy-3-methyl-, methyl ester
Methyl2-hydroxy-3-methylbutanoate
SCHEMBL122885
DTXSID10339010
methyl 2-hydroxy-3-methylbutyrate
Methyl 3-methyl 2-hydroxybutanoate
AMY31877
AKOS011496122
SB47932
BS-52612
DA-09281
CS-0254529
2-hydroxy-3-methyl-butyric acid methyl ester
EN300-81565
E82571
Microorganism:

Yes

IUPAC namemethyl 2-hydroxy-3-methylbutanoate
SMILESCC(C)C(C(=O)OC)O
InchiInChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3
FormulaC6H12O3
PubChem ID552631
Molweight132.16
LogP0.8
Atoms9
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationesters alcohols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl 2-hydroxy-3-methylpentanoate

Compound Details

Synonymous names
Methyl 2-hydroxy-3-methylpentanoate
41654-19-7
Pentanoic acid, 2-hydroxy-3-methyl-, methyl ester
SCHEMBL9458330
DTXSID30334542
OQXGUAUSWWFHOM-UHFFFAOYSA-N
Methyl2-hydroxy-3-methylpentanoate
MFCD30093565
AKOS011496123
Methyl 2-hydroxy-3-methylpentanoate #
SY325201
CS-0235967
2-Hydroxy-3-methyl-pentanoic acid methyl ester
E82553
EN300-1659580
Microorganism:

Yes

IUPAC namemethyl 2-hydroxy-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)O
InchiInChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
FormulaC7H14O3
PubChem ID521064
Molweight146.18
LogP1.2
Atoms10
Bonds4
H-bond Acceptor3
H-bond Donor1
Chemical Classificationesters alcohols
Supernatural-IDSN0272875

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl 3-hydroxybutanoate

Compound Details

Synonymous names
Methyl 3-hydroxybutyrate
Methyl 3-hydroxybutanoate
1487-49-6
Butanoic acid, 3-hydroxy-, methyl ester
BUTYRIC ACID, 3-HYDROXY-, METHYL ESTER
Methyl .beta.-hydroxybutyrate
methyl (RS)-3-hydroxybutyrate
S36O46U3EA
(+/-)-Methyl 3-hydroxybutanoate
MFCD00129999
WE(1:0/4:0(3OH))
Methyl-3-hydroxybutyrate
EINECS 216-068-1
UNII-S36O46U3EA
(S)-Methyl3-Hydroxybutanoate
(R)-3-hydroxybutyric acid methyl ester
(S)-3-hydroxybutyric acid methyl ester
Methyl3-hydroxybutanoate
formyl 3-hydroxy-butanoate
Methyl 3-hydroxy-butanoate
SCHEMBL53570
CH3CH(OH)CH2C(O)OCH3
LDLDJEAVRNAEBW-UHFFFAOYSA-
AMY3321
DTXSID70862677
CHEBI:173462
3-hydroxybutyric acid methyl ester
Methyl 3-hydroxybutyrate, >=95%
BCP12973
3-Hydroxybutanoic acid, Methyl ester
LMFA07010513
AKOS009156905
SB44701
.beta.-Hydroxybutyric acid, methyl ester
AS-19993
SY018984
SY018985
SY316314
DS-002517
A7792
CS-0161084
Methyl 3-hydroxybutyrate, >=95.0% (GC)
NS00045478
EN300-95930
FEMA NO. 4450, (+/-)-
SR-01000945004
SR-01000945004-1
Q27288521
(R)-methyl 3-hydroxybutanoate,methyl R-3-hydroxybutanoate
2,4,6-Trianilino(p-carbo-2-ethylhexyloxy)-1,3,5-triazine
InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
Microorganism:

Yes

IUPAC namemethyl 3-hydroxybutanoate
SMILESCC(CC(=O)OC)O
InchiInChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
FormulaC5H10O3
PubChem ID15146
Molweight118.13
LogP-0.2
Atoms8
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationesters alcohols
CHEBI-ID173462
Supernatural-IDSN0202495

mVOC Specific Details

Boiling Point
DegreeReference
158 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


6-methylhept-5-en-2-ol

Mass-Spectra

Compound Details

Synonymous names
6-METHYL-5-HEPTEN-2-OL
6-Methylhept-5-en-2-ol
1569-60-4
Sulcatol
5-Hepten-2-ol, 6-methyl-
2-Methyl-2-hepten-6-ol
(+/-)-6-Methyl-5-Hepten-2-ol
4630-06-2
(R)-Sulcatol
6-Hydroxy-2-methyl-2-heptene
NSC 66273
6-methyl-hept-5-en-2-ol
DTXSID8051754
NSC-66273
33321H09GI
dl-6-Methyl-5-hepten-2-ol
(+/-)-SULCATOL
MFCD00004561
Heptenol,methyl-
UNII-33321H09GI
coriander heptenol
EINECS 216-377-1
AI3-25074
SCHEMBL195482
DTXCID7030309
FEMA NO. 4884
CHEBI:15833
6-Methyl-5-hepten-2-ol, 99%
NSC66273
Tox21_303934
LMFA05000566
Sulcatol (6-Methylhept-5-en-2-ol)
AKOS008996527
SB45311
SB45412
(.+/-.)-6-Methyl-5-hepten-2-ol
NCGC00357173-01
AS-58307
6-Methyl-5-hepten-2-ol, >=99%, FG
CAS-1569-60-4
DB-064153
CS-0132739
CS-0356782
NS00012901
C07288
E81628
EN300-1259133
J-009359
Q27098251
Microorganism:

Yes

IUPAC name6-methylhept-5-en-2-ol
SMILESCC(CCC=C(C)C)O
InchiInChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
FormulaC8H16O
PubChem ID20745
Molweight128.21
LogP2.3
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID15833
Supernatural-IDSN0265306

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaPlectonema Sp.n/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-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
EukaryotaPhytophthora CinnamomiV8 juice agarSPME/GC-MS/MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Methyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names
METHYL ISOBUTYRATE
547-63-7
Methyl 2-methylpropanoate
Propanoic acid, 2-methyl-, methyl ester
Methyl 2-methylpropionate
Methyl isobutanoate
Isobutyric acid, methyl ester
106989-11-1
FEMA No. 2694
ISOBUTYRIC ACID METHYL ESTER
26161-42-2
Methylester kyseliny isomaselne
NSC 126780
2-methylpropanoic acid methyl ester
EM286QL922
NSC-126780
methylisobutyrate
Methyl isobutyrate (natural)
MFCD00166383
EINECS 208-929-5
Methylester kyseliny isomaselne [Czech]
BRN 1740720
UNII-EM286QL922
MFCD00008914
Methyl methylpropanoate
methyl 2-methylproponate
Methyl isobutyrate, 99%
Isobutyric acid-methyl ester
SCHEMBL66536
(CH3)2CHC(O)OCH3
Methyl isobutyrate, 99%, FG
WLN: 1Y1&VO1
METHYL ISOBUTYRATE [MI]
DTXSID5060275
METHYL ISOBUTYRATE [FCC]
CHEBI:73689
FEMA 2694
METHYL ISOBUTYRATE [FHFI]
Methyl isobutyrate, natural, 98%
BBA16142
CS-D1465
MFCD00131929
NSC126780
2-Methyl-propanoic acid, methyl ester
AKOS005259719
AT32202
MCULE-8740211817
BP-30192
BS-22318
I0106
M0088
NS00004519
NS00021206
EN300-49191
A830359
Q146123
J-522610
Q27143856
InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H
Microorganism:

Yes

IUPAC namemethyl 2-methylpropanoate
SMILESCC(C)C(=O)OC
InchiInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
FormulaC5H10O2
PubChem ID11039
Molweight102.13
LogP1.2
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID73689
Supernatural-IDSN0025536

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaActinomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDyella Sp.nanaTyc et al. 2015
EukaryotaMuscodor Crispansn/aNAMitchell et al. 2010
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
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 HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Olivaceusn/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaDyella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSno
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl 2-methylbutyrate
868-57-5
METHYL 2-METHYLBUTANOATE
Butanoic acid, 2-methyl-, methyl ester
METHYL2-METHYLBUTYRATE
Methyl DL-2-Methylbutyrate
Methyl (S)-2-Methylbutanoate
Butyric acid, 2-methyl-, methyl ester
2-Methylbutyric acid methyl ester
FEMA No. 2719
Methyl anteisovalerate
dl-2-Methylbutyric acid methyl ester
Methyl .alpha.-methylbutyrate
Methyl .alpha.-methylbutanoate
OLG4D4939V
DTXSID1052587
CHEBI:88538
(+/-)-Methyl 2-methylbutanoate
2-Methylbutyric acid-methyl ester
DL-2-MethylbutyricAcidMethyl-d3Ester
Butyric acid, .alpha.-methyl-, methyl ester
methyl 2-methyl butyrate
1082582-07-7
53955-81-0
Methyl alpha-methylbutyrate
Methyl alpha-methylbutanoate
UNII-OLG4D4939V
Methyl 2-methylbutyrate (natural)
2-methylbutanoic acid methyl ester
EINECS 212-778-0
AI3-34461
SCHEMBL108113
Methyl 2-methylbutyrate, 99%
(+/-)-Methyl a-methylbutyrate
CHEMBL2287316
DTXCID2031160
FEMA 2719
a-Methylbutyric acid methyl ester
Methyl (+/-)-2-methylbutanoate
2-Methylbutyric acid, methyl ester
2-methyl-butanoic acid methyl ester
2-Methylbutanoic acid, methyl ester
Tox21_303742
LMFA07010934
MFCD00009335
AKOS009117977
alpha-methyl-butyric acid methyl ester
METHYL 2-METHYLBUTYRATE [FCC]
FS-3839
METHYL 2-METHYLBUTYRATE [FHFI]
Methyl ester of 2-methyl-butanoic acid
METHYL DL-.ALPHA.-METHYLBUTYRATE
NCGC00357048-01
CAS-868-57-5
DB-056956
CS-0132254
M0758
Methyl 2-methylbutyrate, >=98%, FCC, FG
Methyl 2-methylbutyrate, analytical standard
NS00012916
(+/-)-METHYL .ALPHA.-METHYLBUTYRATE
.ALPHA.-METHYLBUTYRIC ACID METHYL ESTER
E75864
EN300-254095
Butanoic acid, 2-methyl-, methyl ester, ( )-
Butanoic acid, 2-methyl-, methyl ester, (plusmn)-
Butanoic acid, 2-methyl-, methyl ester, (.+/-.)-
Methyl 2-methylbutyrate, natural, >=98%, FCC, FG
Q24734848
Microorganism:

Yes

IUPAC namemethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC
InchiInChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12O2
PubChem ID13357
Molweight116.16
LogP1.5
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID88538
Supernatural-IDSN0261979

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaLysobacter Capsiciantifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minorNAVlassi et al. 2020
EukaryotaTuber AestivumBurgundy regionMolinier et al. 2015
EukaryotaEmericella Nidulansn/aNAFischer et al. 1999
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
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 Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
ProkaryotaStreptomyces Platensisn/aS. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa).Wan et al. 2008
ProkaryotaActinomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisnarhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaLysobacter CapsiciNA-mediaGC-MSno
EukaryotaTuber AestivumHS-SPME/GC-MS yes
EukaryotaEmericella Nidulansyeast extract sucrose agarn/ano
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
ProkaryotaStreptomyces Albusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Aureofaciensn/an/ano
ProkaryotaStreptomyces Coelicolorn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaStreptomyces Platensisautoclaved wheat seedsHeadspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.no
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand containing artificial root exudatesGC/MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Methyl 2-methylpentanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl 2-methylpentanoate
2177-77-7
Methyl 2-methylvalerate
2-Methylpentanoic acid methyl ester
Valeric acid, 2-methyl-, methyl ester
Pentanoic acid, 2-methyl-, methyl ester
FEMA No. 3707
2-Methylvaleric acid, methyl ester
25KKE63345
2-Methylvaleric acid methyl ester
methyl 2-methyl valerate
Methyl 2-methylpentanoate #
SCHEMBL184608
methylpentanoic acid methyl ester
UNII-25KKE63345
FEMA 3707
DTXSID90862856
CHEBI:179995
?METHYL 2-METHYLPENTANOATE
Methyl (+/-)-2-methylpentanoate
EINECS 218-543-9
Methyl 2-methylpentanoate, >=98%
LMFA07010942
MFCD00036653
AKOS009157922
METHYL 2-METHYLPENTANOATE [FHFI]
(+/-)-METHYL 2-METHYLPENTANOATE
AS-77423
AI3-28502
DB-045694
CS-0449632
METHYL 2-METHYLPENTANOATE, (+/-)-
NS00049964
D92993
.ALPHA.-METHYLPENTANOIC ACID METHYL ESTER
Q27253977
Microorganism:

Yes

IUPAC namemethyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OC
InchiInChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
FormulaC7H14O2
PubChem ID519890
Molweight130.18
LogP2.1
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID179995
Supernatural-IDSN0480055

mVOC Specific Details

Boiling Point
DegreeReference
45 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Ciscaucasicuspotentially involved in antifungal activityNACordovez et al. 2015
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces CiscaucasicusGA-mediumSPME/GC-MS no
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


Methyl 3-methylpentanoate

Compound Details

Synonymous names
Methyl 3-methylpentanoate
2177-78-8
Methyl 3-methylvalerate
METHYL3-METHYLPENTANOATE
Valeric acid, 3-methyl-, methyl ester
Pentanoic acid, 3-methyl-, methyl ester
Pentanoic acid,3-methyl-,methyl ester
methyl-3-methyl pentanoate
Methyl .beta.-methylvalerate
SCHEMBL5711131
DTXSID70334182
3-Methylvaleric acid, methyl ester
Methyl 3-methylvalerate, >=97.0%
DB-066628
J-014282
2,2-[1,4-PHENYLENEBIS(METHYLENE)]BIS-1H-BENZOIMIDAZOLE
Microorganism:

Yes

IUPAC namemethyl 3-methylpentanoate
SMILESCCC(C)CC(=O)OC
InchiInChI=1S/C7H14O2/c1-4-6(2)5-7(8)9-3/h6H,4-5H2,1-3H3
FormulaC7H14O2
PubChem ID519891
Molweight130.18
LogP2.4
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
Supernatural-IDSN0085504

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Ciscaucasicuspotentially involved in antifungal activityNACordovez et al. 2015
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces CiscaucasicusGA-mediumSPME/GC-MS no
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno