Results for:
Species: Metschnikowia saccharicola

Signature

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 name

2-phenylethanol

SMILES

C1=CC=C(C=C1)CCO

Inchi

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Formula

C₈H₁₀O

PubChem ID

6054

Molweight

122.16

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic alcohols alcohols aromatic compounds benzenoids

CHEBI-ID

49000

Supernatural-ID

SN0418058

mVOC Specific Details

Boiling Point

Degree	Reference
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

Pressure	Reference
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

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000994

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001564

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006570

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Eukaryota	Candida Dubliniensis	NA	NA	Martins et al. 2007
Eukaryota	Candida Albicans	NA	NA	Martins et al. 2007
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Eukaryota	Candida Albicans	NA	NA	Perl et al. 2011
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Streptococcus Agalactiae	NA	NA	Jünger et al. 2012
Prokaryota	Mycobacterium Bovis	NA	NA	McNerney et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Eukaryota	Pythium Oligandrum	N/A	Pythium 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
Prokaryota	Corynebacterium Accolens		clinical isolate	Lemfack et al. 2016
Prokaryota	Corynebacterium Jeikeium		clinical isolate	Lemfack et al. 2016
Prokaryota	Corynebacterium Minutissimum		clinical isolate,trunk of adult female	Lemfack et al. 2016
Prokaryota	Corynebacterium Striatum		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Schleiferi		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Sciuri		Southernflying squirrel skin	Lemfack et al. 2016
Prokaryota	Staphylococcus Sciuri		clinical isolate	Lemfack et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Eukaryota	Saccharomyces Cerevisiae		NA	Caballero Ortiz et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Vibrio Parahaemolyticus		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Eukaryota	Aureobasidium Pullulans		NA	Contarino et al. 2019
Eukaryota	Metschnikowia Pulcherrima		NA	Contarino et al. 2019
Eukaryota	Saccharomyces Cerevisiae		NA	Contarino et al. 2019
Eukaryota	Wickerhamomyces Anomalus		NA	Contarino et al. 2019
Eukaryota	Candida Sake		King George Island, South Shetland Islands, Antarctica	Arrarte et al. 2017
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Prokaryota	Proteus Vulgaris		rhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)	Yu et al. 2013
Prokaryota	Bacillus Subtilis			Zhang et al. 2021
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal 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
Prokaryota	Staphylococcus Pasteuri	antifungal 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
Prokaryota	Arthrobacter Ureafaciens	antifungal 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 spot	López et al. 2021
Prokaryota	Pantoea Vagans	antifungal 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 spot	López et al. 2021
Prokaryota	Arthrobacter Phenanthrenivorans	antifungal 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 spot	López et al. 2021
Prokaryota	Rahnella Aquatilis	antifungal activity on the mycelial growth of Colletotrichum gloeosporioides	isolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of China	Kong et al. 2020
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Restricta		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Sympodialis		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Eukaryota	Metschnikowia Reukaufii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Sp.	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Rhodotorula Mucilaginosa	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Sporidiobolus Salmonicolor	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystobasidium Laryngis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Prokaryota	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Preti et al. 2009
Eukaryota	Hypoxylon Anthochroum		NA	Ulloa-Benítez et al. 2016
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Aspergillus Sp.		NA	Seifert and King 1982
Eukaryota	Penicillium Sp.		NA	Brock and Dickschat 2013
Eukaryota	Trichoderma Sp.		NA	Stoppacher et al. 2010
Eukaryota	Chaetomium Globosum		NA	Kikuchi et al. 1983
Eukaryota	Lasiodiplodia Theobromae		NA	Matsumoto and Nago 1994
Eukaryota	Tuber Sp.		NA	Splivallo et al. 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Roseobacter Clade	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Staphylococcus Xylosus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Escherichia Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Arctic Bacterium	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomycetes Sp.	n/a	NA	Stritzke et al. 2004
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Cepacia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Eukaryota	Tuber Melanosporum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Tuber Indicum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Saccharomyces Cerevisiae	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Aureobasidium Pullulans		apples	Davis et al. 2012
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Enterobacter Agglomerans		NA	Robacker and Lauzon 2002
Eukaryota	Penicillium Corymbiferum		NA	Pierce et al. 1991
Eukaryota	Scopulariopsis Brevicaulis		NA	Pierce et al. 1991
Eukaryota	Fusarium Sp.		NA	Pierce et al. 1991
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Eukaryota	Aureobasidium Pullulans	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al. 2012
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis		Rhizosphere	Blom et al. 2011
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Prokaryota	Stenotrophomonas Maltophilia		clinic	Preti et al. 2009
Eukaryota	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Eukaryota	Phoma Sp.	n/a	NA	Strobel et al. 2011
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Eukaryota	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al. 2011
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Serratia Plymuthica	n/a	NA	Kai et al. 2007
Prokaryota	Staphylococcus Epidermidis	n/a	NA	Kai et al. 2007
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Kai et al. 2007
Prokaryota	Enterobacter Cloacae	n/a	NA	Arnold and Senter 1998
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Arnold and Senter 1998
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Eukaryota	Phellinus Sp.	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Eukaryota	Trichoderma Virens		NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride		NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei		NA	Crutcher et al. 2013
Eukaryota	Phoma Sp.	na	na	Naznin et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ge et al. 2021
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Achromobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Almeida et al. 2022
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saccharomyces Eubayanus	NA	NA	Urbina et al. 2020
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2020
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024
	Cyberlindnera Fabianii			Ma et al. 2023
	Debaryomyces Hansenii			Li et al. 2023
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	DMEM	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Eukaryota	Candida Dubliniensis	RPMI	SPME/GC-MS	no
Eukaryota	Candida Albicans	RPMI	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Eukaryota	Candida Albicans	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Streptococcus Agalactiae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Mycobacterium Bovis	LG + glycerol	TD/GC-MS and SIFT-MS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Prokaryota	Corynebacterium Accolens	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Jeikeium	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Minutissimum	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Striatum	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Schleiferi	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Sciuri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Eukaryota	Saccharomyces Cerevisiae	medium malt extract agar ± Sucrose	HS-SPME, GC-MS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Vibrio Parahaemolyticus	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	yes
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Candida Sake	Yeast Nitrogen base with 1% pectin	SPME / GCMS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Proteus Vulgaris	LB agar	SPME, GC-MS	no
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Staphylococcus Pasteuri	TYB media	GC-MS	no
Prokaryota	Arthrobacter Ureafaciens	TYB media	GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Arthrobacter Phenanthrenivorans	TYB media	GC-MS	no
Prokaryota	Rahnella Aquatilis	LB media	HS-SPME/GC-MS	yes
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Restricta	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Sympodialis	modified Dixon agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	yes
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	no
Eukaryota	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Sp.	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Eukaryota	Rhodotorula Mucilaginosa	artificial nectar media	GC-MS	no
Eukaryota	Sporidiobolus Salmonicolor	artificial nectar media	GC-MS	no
Eukaryota	Cystobasidium Laryngis	artificial nectar media	GC-MS	no
Prokaryota	Staphylococcus Aureus	blood/choclate agar	GC-Ms flame photometric detector	no
Prokaryota	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Hypoxylon Anthochroum			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Aspergillus Sp.			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Chaetomium Globosum			no
Eukaryota	Lasiodiplodia Theobromae			no
Eukaryota	Tuber Sp.			no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Roseobacter Clade	n/a	n/a	no
Prokaryota	Staphylococcus Xylosus	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Citrobacter Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Escherichia Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Arctic Bacterium	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Antibioticus	n/a	n/a	no
Prokaryota	Streptomyces Diastatochromogenes	n/a	n/a	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Streptomyces Hirsutus	n/a	n/a	no
Prokaryota	Streptomyces Hygroscopicus	n/a	n/a	no
Prokaryota	Streptomyces Murinus	n/a	n/a	no
Prokaryota	Streptomyces Olivaceus	n/a	n/a	no
Prokaryota	Streptomyces Thermoviolaceus	n/a	n/a	no
Prokaryota	Streptomycetes Sp.	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Prokaryota	Bacillus Cereus	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	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
Prokaryota	Serratia Proteamaculans	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Cepacia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Kururiensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sordidicola	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	YEPDA	GC/MS	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Eukaryota	Aureobasidium Pullulans	Sabouraud dextrose agar	GC-MS	yes
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Eukaryota	Penicillium Corymbiferum		GC-FID	yes
Eukaryota	Scopulariopsis Brevicaulis		GC-FID	yes
Eukaryota	Fusarium Sp.		GC-FID	yes
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Eukaryota	Aureobasidium Pullulans	Sabouraud Dextrose Agar	GC/FID	yes
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Prokaryota	Burkholderia Cepacia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Burkholderia Kururiensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Hansenula Holstii	PYG	GC-MS	no
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	no
Prokaryota	Staphylococcus Sciuri	877 liquid medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Eukaryota	Phomopsis Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Serratia Plymuthica	n/a	n/a	no
Prokaryota	Staphylococcus Epidermidis	n/a	n/a	no
Prokaryota	Stenotrophomonas Rhizophila	n/a	n/a	no
Prokaryota	Enterobacter Cloacae		HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa		HS-SPME/GC-MS	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Eukaryota	Phellinus Sp.	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Phoma Sp.	na	SPME-GC/MS	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	yes
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	grape juice	LC-15C HPLC	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Achromobacter 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
Prokaryota	Serratia 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
Prokaryota	Enterobacter 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
Prokaryota	Escherichia Coli	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
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS-SPME-GC-MS	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS‐GC‐FID	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Hanseniaspora Valbyensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Debaryomyces Hansenii	meat with pork lard	GC-MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

Compound Details

Synonymous names

(2Z,6E)-Farnesal

(Z,E)-Farnesal

cis,trans-Farnesal

2-cis-6-trans-Farnesal

Farnesal, (2Z,6E)-

4380-32-9

2E,6Z-farnesal

UNII-W294Y02P00

FEMA No. 4019, (2Z,6E)-

2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-

W294Y02P00

2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2Z,6E)-

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

3,7,11-trimethyldodeca-2Z,6E,10-trienal

cis-farnesal

Z,E-Farnesal

cis, trans-Farnesal

(2-cis,6-trans)-farnesal

SCHEMBL1301128

CHEBI:35968

LMPR0103010007

(2Z,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal

Q27116654

Microorganism:

Yes

IUPAC name

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

SMILES

CC(=CCCC(=CCCC(=CC=O)C)C)C

Inchi

InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-

Formula

C₁₅H₂₄O

PubChem ID

5365890

Molweight

220.35

LogP

4.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes terpenes

CHEBI-ID

35968

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

Compound Details

Synonymous names

Farnesal

19317-11-4

502-67-0

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

(2E,6E)-Farnesal

E,E-Farnesal

trans-farnesal

trans,trans-Farnesal

2-trans,6-trans-Farnesal

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienal

trans,trans-2,6-Farnesal

2,6,10-Dodecatrienal, 3,7,11-trimethyl-

3,7,11-trimethyl-2,6,10-dodecatrienal

Farnesal, (2E,6E)-

(2-trans,6-trans)-farnesal

(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal

2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-

(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal

3,7,11-trimethyldodeca-2,6,10-trienal

CHEBI:15894

G4E58106EW

2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2E,6E)-

(e,e)-farnesal

UNII-G4E58106EW

UNII-R265G157TQ

farnesal, pract.

EINECS 242-957-9

3,7,11-Trimethyl-dodeca-2,6,10-trienal

FARNESOL_met006

AI3-32959

2-trans-6-trans-farnesal

CHEMBL3120646

CHEBI:24012

DTXSID60880981

R265G157TQ

AMY13370

MFCD00038089

AKOS024263035

Farnesal (Mixture of Isomers pound(c)

LMPR0103010012

FEMA NO. 4019, (2E,6E)-

C03461

Farnesal (Mixture of Isomers, Technical Grade)

J-012508

(2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienal

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienaldehyde

Q27098285

(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-al

(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal #

Microorganism:

Yes

IUPAC name

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

SMILES

CC(=CCCC(=CCCC(=CC=O)C)C)C

Inchi

InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+

Formula

C₁₅H₂₄O

PubChem ID

5280598

Molweight

220.35

LogP

4.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes terpenes

CHEBI-ID

24012

Supernatural-ID

SN0450718-03

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptococcus Pneumoniae	NA	NA	Kaeslin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptococcus Pneumoniae	BHI	SESI-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

2-methylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isobutanol

2-Methyl-1-propanol

ISOBUTYL ALCOHOL

2-Methylpropan-1-ol

78-83-1

1-Propanol, 2-methyl-

1-Hydroxymethylpropane

Isopropylcarbinol

Iso-butyl alcohol

2-Methylpropyl alcohol

i-Butyl alcohol

Isobutylalkohol

2-Methylpropanol

Alcool isobutylique

2-Methyl propanol

Fermentation butyl alcohol

i-Butanol

RCRA waste number U140

2-Methylpropanol-1

FEMA No. 2179

Isopropyl carbitol

NSC 5708

Methyl-2 propanol-1

iso-C4H9OH

MFCD00004740

2-methyl-1-propanyl alcohol

56F9Z98TEM

DTXSID0021759

CHEBI:46645

2-Methyl-d3-propyl--d4 Alcohol

NSC-5708

68989-27-5

Isobutylalkohol [Czech]

iso-butanol

FEMA Number 2179

Isobutyl alcohol (natural)

Isopropyl carbinol

Alcool isobutylique [French]

HSDB 49

CCRIS 2300

EINECS 201-148-0

UN1212

RCRA waste no. U140

BRN 1730878

isobutylalcohol

UNII-56F9Z98TEM

iso butanol

Butanol-iso

AI3-01777

2-methylpropanoI

iBuOH

2-methyl-propanol

iso-BuOH

i-BuOH

2-methyl-l-propanol

2-methyl-n-propanol

Isobutanol ACS grade

Propanol, 2-methyl-

2-methyl-propan-1-ol

Isobutanol, HPLC Grade

EC 201-148-0

Isobutanol, Isobutyl alcohol

4-01-00-01588 (Beilstein Handbook Reference)

BIDD:ER0628

Isobutanol or isobutyl alcohol

ISOBUTYL ALCOHOL [II]

ISOBUTYL ALCOHOL [MI]

2-Methyl-1-propanol, 99%

ISOBUTYL ALCOHOL [FCC]

CHEMBL269630

DTXCID601759

ISOBUTYL ALCOHOL [FHFI]

ISOBUTYL ALCOHOL [HSDB]

WLN: Q1Y1&1

ISOBUTYL ALCOHOL [MART.]

NSC5708

2-Methyl-1-propanol, 99.5%

2-Methyl-1-propanol, AR, 99%

Isobutanol, Spectrophotometric Grade

Tox21_201214

ISOBUTYL ALCOHOL (ISOBUTANOL)

LMFA05000100

STL185664

2-methyl-1-propanol(isobutyl alcohol)

2-Methyl-1-propanol, LR, >=99%

AKOS000118740

Isobutyl alcohol, >=99%, FCC, FG

MCULE-6294327194

UN 1212

2-METHYL-1-PROPANOL [USP-RS]

CAS-78-83-1

NCGC00091851-01

NCGC00091851-02

NCGC00258766-01

2-Methyl-1-propanol, analytical standard

2-Methyl-1-propanol, anhydrous, 99.5%

2-?Methyl-?1-?propanol(Isobutyl Alcohol)

2-Methyl-1-propanol, for HPLC, 99.5%

Isobutyl alcohol, ACS reagent, >=99.0%

I0094

NS00008599

EN300-19336

Isobutyl alcohol 5000 microg/mL in Methanol

2-Methyl-1-propanol 10 microg/mL in Methanol

Isobutyl alcohol, natural, >=99%, FCC, FG

2-Methyl-1-propanol, ACS reagent, >=99.0%

Q151797

2-Methyl-1-propanol, p.a., ACS reagent, 99.0%

2-Methyl-1-propanol, SAJ first grade, >=99.0%

J-509912

2-Methyl-1-propanol, JIS special grade, >=99.0%

F0001-2058

InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H

2-Methyl-1-propanol, ACS spectrophotometric grade, >=99.0%

2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)

2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard

2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)

5OZ

Microorganism:

Yes

IUPAC name

2-methylpropan-1-ol

SMILES

CC(C)CO

Inchi

InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Formula

C₄H₁₀O

PubChem ID

6560

Molweight

74.12

LogP

0.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

46645

Supernatural-ID

SN0482691

mVOC Specific Details

Boiling Point

Degree	Reference
108 °C peer reviewed

Volatilization

The Henry's Law constant for isobutyl alcohol is 9.78X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 27 days(SRC). Isobutyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 10.4 mm Hg at 25 deg C(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl alcohol can be estimated to be 2.9(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl alcohol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 10, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
10.4 mm Hg at 25 deg C	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

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000273

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001278

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007110

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stenotrophomonas Rhizophila	NA	NA	Shestivska et al. 2015
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Shestivska et al. 2015
Prokaryota	Mycobacterium Bovis	NA	NA	Küntzel et al. 2018
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Eukaryota	Candida Tropicalis	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Albicans	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Glabrata	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Krusei	NA	NA	Hertel et al. 2016a
Prokaryota	Klebsiella Pneumoniae	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Mycobacterium Bovis	NA	NA	McNerney et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Stenotrophomonas Rhizophila		Lobaria pulmonaria lichen thalli, Austria	Cernava et al. 2015
Eukaryota	Alternaria Alternata		NA	Weikl et al. 2016
Eukaryota	Fusarium Oxysporum		NA	Weikl et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Eukaryota	Saccharomyces Cerevisiae		NA	Caballero Ortiz et al. 2018
Eukaryota	Fusarium Oxysporum		onion	Wang et al. 2018
Eukaryota	Fusarium Proliferatum		onion	Wang et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Geotrichum Candidum		NA	Schnürer et al. 1999
Eukaryota	Penicillium Roqueforti		NA	Schnürer et al. 1999
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Bacillus Licheniformis		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Prokaryota	Streptococcus Pyogenes		National Collection of Type Cultures	Slade et al. 2022
Prokaryota	Staphylococcus Aureus		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead Hospital	Slade et al. 2022
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Restricta		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Sympodialis		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Metschnikowia Reukaufii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Sp.	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Muscodor Crispans		Wild pineapple plant, Ananas ananassoides	Mitchell et al. 2010
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Eukaryota	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
Eukaryota	Phoma Sp.	n/a	NA	Strobel et al. 2011
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al. 2011
Eukaryota	Penicillium Glabrum		compost	Fischer et al. 1999
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Borchii	n/a	Prof. MattiaProf. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Thermoactinomyces Vulgaris	na	soil	Wilkins 1996
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Xylaria Sp.	phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicum	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Eukaryota	Phoma Sp.	na	na	Naznin et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
Eukaryota	Aspergillus Fumigatus		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Penicillium Cyclopium		compost	Fischer et al. 1999
Eukaryota	Penicillium Crustosum		compost	Fischer et al. 1999
Prokaryota	Leuconostoc Lactis	na	cow cheese	Pogačić et al. 2016
Eukaryota	Tuber Melanosporum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Saccharomyces Cerevisiae	Inhibited growth and sporulation of Aspergillus niger.	NA	Stotzky and Schenck 1976
Eukaryota	Boletus Variegatus	Inhibited growth and sporulation of Aspergillus niger.	NA	Stotzky and Schenck 1976
Eukaryota	Fomes Sp.	Inhibited growth and sporulation of Aspergillus niger.	NA	Stotzky and Schenck 1976
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Chalaropsis Thielavioides		NA	Collins 1960
Eukaryota	Trichoderma Viride	n/a	NA	Hung et al. 2013
Eukaryota	Tuber Mesentericum	None	None	March et al. 2006
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Saccharomyces Cerevisiae			Qin et al. 2024
	Lentinula Edodes			Geng et al. 2024
	Fusarium Graminearum			Ballot et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Mycobacterium Bovis	HEYM	NTD/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Eukaryota	Candida Tropicalis	SDA	TD/GC-MS	no
Eukaryota	Candida Albicans	SDA	TD/GC-MS	no
Eukaryota	Candida Glabrata	SDA	TD/GC-MS	no
Eukaryota	Candida Krusei	SDA	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Mycobacterium Bovis	LG + glycerol	TD/GC-MS and SIFT-MS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Stenotrophomonas Rhizophila	R2A	GC/MS SPME	no
Eukaryota	Alternaria Alternata	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Eukaryota	Fusarium Oxysporum	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	medium malt extract agar ± Sucrose	HS-SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Proliferatum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Geotrichum Candidum	malt extract agar with 0.5-1.0% acetic acid,Aspergillus flavus and parasiticus agar (AFPA),dichloran rose bengal yeast extract sucrose agar (DRYES)	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Roqueforti	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	yes
Prokaryota	Paenibacillus Polymyxa	NA media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Licheniformis	nutrient agar	HS-SPME/GC-MS	no
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Prokaryota	Streptococcus Pyogenes	TS agar/blood agar	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TS agar/blood agar	HS-SPME/GC-MS	no
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Restricta	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Sympodialis	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Sp.	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Eukaryota	Muscodor Crispans	potato dextrose agar	SPME-GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Phomopsis Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Streptomyces Albidoflavus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Rishiriensis	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Antibioticus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Coelicolor	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hirsutus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Trichoderma Viride	Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Thermoactinomyces Vulgaris	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	DG18	GC/MS	no
Eukaryota	Paecilomyces Variotii	DG18,MEA	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Eukaryota	Phoma Sp.	na	SPME-GC/MS	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Eukaryota	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Cyclopium	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Leuconostoc Lactis	curd-based broth medium	GC/MS	yes
Eukaryota	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Boletus Variegatus	n/a	n/a	no
Eukaryota	Fomes Sp.	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Chalaropsis Thielavioides			no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	no
Eukaryota	Tuber Mesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar1	Tenax TA / TDGC-MS	yes
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no

2-methylbut-2-en-1-ol

Compound Details

Synonymous names

4675-87-0

2-methylbut-2-en-1-ol

2-Buten-1-ol, 2-methyl-

2-Methyl-2-butenol

DTXSID2063553

NS00082636

Microorganism:

Yes

IUPAC name

2-methylbut-2-en-1-ol

SMILES

CC=C(C)CO

Inchi

InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3

Formula

C₅H₁₀O

PubChem ID

20799

Molweight

86.13

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

Supernatural-ID

SN0243163

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

Ethyl (2E,4Z)-deca-2,4-dienoate

Compound Details

Synonymous names

3025-30-7

ethyl (2E,4Z)-deca-2,4-dienoate

Ethyl 2-trans-4-cis-decadienoate

Ethyl (2E,4Z)-decadienoate

2,4-Decadienoic acid, ethyl ester, (2E,4Z)-

Ethyl trans-2,cis-4-decadienoate

Ethyl (2E,4Z)-2,4-decadienoate

Ethyl (E,Z)-2,4-decadienoate

Pear ester

ethyl decadienoate

(2E,4Z)-Ethyl deca-2,4-dienoate

Ethyl 2Z,4E-decadienoic acid

FEMA No. 3148

Ethyl-2-trans-4-cis-decadienoate

Ethyl(E,Z)-decadienoate

ethyl 2E,4Z-decadienoate

79P6KS9Y5Z

CHEBI:4896

DTXSID0041357

WE(2:0/10:2(2E,4Z))

Ethyl 2,4-decadienoate, (2E,4Z)-

Ethyl 2,4-decadienoate

ethyl-2e,4z-decadienoate

Ethyl-deca-(2E,4Z)-dienoate

Ethyl 2,4 (E,Z)-decadienoate

UNII-79P6KS9Y5Z

E,Z-Ethyl 2,4-decadienoate

Ethyl (2E,4E)-2,4-decadienoate

Ethyl (E)-2,(Z)-4-decadienoate

Ethyl 2,4-decadienoate, (E,Z)-

EINECS 221-178-8

BRN 1724176

Ethyl (E,Z)-decadienoate

Ethly 2E,4Z-Decadienoate

4-02-00-01731 (Beilstein Handbook Reference)

SCHEMBL258128

CHEMBL2229606

DTXCID8021357

FEMA 3148

ETHYL DECADIENOATE [INCI]

Ethyl 2-trans-4-cis-decandienoate

ethyl-2,4- trans, cisdecadienoate

(2E,4Z)-ethyl 2,4-decadienoate

(2E,4Z)-Ethyldeca-2,4-dienoate

Tox21_300673

LMFA07010480

MFCD00082225

AKOS027320442

Ethyl Ester(e,z)-2,4-decadienoic Acid

NCGC00248136-01

NCGC00254581-01

AS-65787

CAS-3025-30-7

Ethyl 2-trans-4-cis-decadienoate, >=80%

Ethyl ester(2E,4Z)-2,4-Decadienoic acid

CS-0362811

NS00012389

trans,cis-deca-2,4-dienoic acid ethyl ester

(2E,4Z)-2,4-Decadienoic acid, ethyl ester

(2E,4Z)-deca-2,4-dienoic acid ethyl ester

C08486

ETHYL TRANS-2,CIS-4-DECADIENOATE [FHFI]

A856047

ETHYL (2E,4Z)-DECA-2,4-DIENOATE [MI]

J-017842

Q5404449

Ethyl 2-trans-4-cis-decadienoate, analytical standard

Ethyl 2-trans-4-cis-decadienoate, natural, >=95%, FG

Ethyl 2-trans-4-cis-decadienoate, >=95%, stabilized, FG

Ethyl 2-trans-4-cis-decadienoate, technical, >=97.0% (sum of isomers, GC)

Microorganism:

Yes

IUPAC name

ethyl (2E,4Z)-deca-2,4-dienoate

SMILES

CCCCCC=CC=CC(=O)OCC

Inchi

InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+

Formula

C₁₂H₂₀O₂

PubChem ID

5281162

Molweight

196.29

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters

CHEBI-ID

4896

Supernatural-ID

SN0271472-02

mVOC Specific Details

Boiling Point

Degree	Reference
70 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

Heptan-4-one

Mass-Spectra

Compound Details

Synonymous names

4-Heptanone

Heptan-4-one

123-19-3

Dipropyl ketone

Butyrone

Propyl ketone

Di-n-propyl ketone

4-Oxoheptane

FEMA No. 2546

NSC 8692

9BN582JQ61

NSC-8692

4-Heptanone (natural)

EINECS 204-608-9

UN2710

BRN 1699049

dipropylketon

dipropylketone

UNII-9BN582JQ61

AI3-15181

HSDB 7908

heptane-4-one

?4-Heptanone

MFCD00009403

4-Heptanone, 98%

4-HEPTANONE [FHFI]

SCHEMBL25174

DIPROPYL KETONE [MI]

4-01-00-03323 (Beilstein Handbook Reference)

(n-C3H7)2CO

SCHEMBL8508397

SCHEMBL9188666

WLN: 3V3

4-Heptanone, >=97%, FG

DTXSID6047650

4-Heptanone, analytical standard

CHEBI:89484

AMY3807

NSC8692

BBL009715

LMFA12000118

STL141080

AKOS000118993

MCULE-1621649928

UN 2710

BP-12815

VS-02154

H0039

NS00012348

EN300-19142

Dipropyl ketone [UN2710] [Flammable liquid]

A805025

J-004897

J-515446

Q1287920

InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H

Microorganism:

Yes

IUPAC name

heptan-4-one

SMILES

CCCC(=O)CCC

Inchi

InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

Formula

C₇H₁₄O

PubChem ID

31246

Molweight

114.19

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

89484

Supernatural-ID

SN0121626

mVOC Specific Details

Boiling Point

Degree	Reference
144 °C peer reviewed

Volatilization

The Henry's Law constant for dipropyl ketone is estimated as 2.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 5.2 mm Hg at 20 deg C(1), and water solubility, 3.19X10+3 mg/L(2). This Henry's Law constant indicates that dipropyl ketone 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 3.7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.4 days(SRC). Dipropyl ketone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dipropyl ketone from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Lewis RJ Sr; Hawley's Condensed Chemical Dictionary 15th ed., New York, NY: John Wiley & Sons, Inc., p. 468 (2007) (2) Yalkowsky SH, He Y; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p.425 (2003) (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 Koc of dipropyl ketone is estimated as 178(SRC), using a log Kow of 2.04(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dipropyl ketone is expected to have moderate mobility in soil.
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-1100 (1994) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2010. Available from, as of Feb 15, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
5.2 mm Hg at 20 deg C	Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 468

MS-Links

MS-MS Spectrum 2406 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6040 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 2407 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6041 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2408 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000269

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006454

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Bazemore et al. 2012
Prokaryota	Haemophilus Influenzae	NA	NA	Filipiak et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Paenibacillus Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	SDA + Elastin	TD/GC-MS	no
Prokaryota	Haemophilus Influenzae	Tryptic soya supp. factors X&V	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	yes
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Paenibacillus Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

Nonan-4-one

Mass-Spectra

Compound Details

Synonymous names

4-Nonanone

4485-09-0

Nonan-4-one

Amyl Propyl Ketone

Propyl amyl ketone

Pentyl Propyl Ketone

n-Pentyl n-propyl ketone

EINECS 224-770-4

SCHEMBL129432

DTXSID5063493

CHEBI:179604

LMFA12000148

MFCD00027286

AKOS009157392

DB-051253

CS-0362557

N0427

NS00022200

D91706

A902353

Q31838919

InChI=1/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H

Microorganism:

Yes

IUPAC name

nonan-4-one

SMILES

CCCCCC(=O)CCC

Inchi

InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3

Formula

C₉H₁₈O

PubChem ID

78236

Molweight

142.24

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

179604

Supernatural-ID

SN0363152

mVOC Specific Details

Boiling Point

Degree	Reference
188 median

MS-Links

MS-MS Spectrum 122317

MS-MS Spectrum 122318

MS-MS Spectrum 52549

MS-MS Spectrum 122316

MS-MS Spectrum 52548

MS-MS Spectrum 52550

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002579

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Muscodor Sp.		NA	Ezra et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	rocket lysate	HS-SPME/GC-MS	no
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Muscodor Sp.			no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no

Results for: Species: Metschnikowia saccharicola Signature

2-phenylethanol

Compound Details

mVOC Specific Details

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

Compound Details

mVOC Specific Details

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal

Compound Details

mVOC Specific Details

2-methylpropan-1-ol

Compound Details

mVOC Specific Details

2-methylbut-2-en-1-ol

Compound Details

mVOC Specific Details

Ethyl (2E,4Z)-deca-2,4-dienoate

Compound Details

mVOC Specific Details

Heptan-4-one

Compound Details

mVOC Specific Details

Nonan-4-one

Compound Details

mVOC Specific Details

Results for:
Species: Metschnikowia saccharicola

Signature