Results for:
Species: biofilms A (Rivularia sp./Calothrix parietina community)

Signature

Octanal

Mass-Spectra

Compound Details

Synonymous names

Caprylaldehyde

Caprylaldehyd

Kaprylaldehyd

Octanaldehyde

Octylaldehyd

OCTYLALDEHYDE

Oktylaldehyd

Octaldehyde

Caprylic aldehyde

NUJGJRNETVAIRJ-UHFFFAOYSA-N

Octanoic aldehyde

Albumin tannate

n-Caprylaldehyde

n-Octanaldehyde

Octanal

Octyl aldehydes

Oktanal

n-Octaldehyde

Octyl aldehyde

1-Caprylaldehyde

Antifoam-LF

1-Octylaldehyde

n-CAPRYLIC ALDEHYDE

n-Octanal

n-Octylal

Octanal, analytical standard

1-Octaldehyde

n-Octyl aldehyde

Aldehyde C8

1-octanal

Octanal, tech

AC1Q2VW5

n -octanal

ACMC-1BNV4

Octanal (natural)

AC1L199S

ALDEHIDO C-8

Aldehyde C-8

C-8 aldehyde

KSC176O0J

U306

CHEMBL18407

NSC1508

NSC8969

octan-1-al

Octanal, tech.

SCHEMBL28601

CTK0H6704

HMDB01140

O0044

Octanal, 99%

QSPL 183

WLN: VH7

NE10467

RP19811

bmse000851

C01545

HSDB 5147

XGE9999H19

DTXSID3021643

LP070181

LS-2994

NSC 1508

NSC-1508

NSC-8969

SBB059871

CHEBI:17935

DSSTox_CID_1643

UNII-XGE9999H19

ZINC1529222

AN-43519

ANW-18192

DSSTox_GSID_21643

KB-59271

TRA0069032

BDBM50028817

DSSTox_RID_76257

LMFA06000028

MFCD00007029

AI3-03961

DB-046356

RTR-003752

ST51046136

TR-003752

AKOS009031567

J-660019

Q-200605

BRN 1744086

FEMA No. 2797

FT-0626917

FT-0631629

FT-0631722

FT-0673199

I14-13649

EN300-19768

Tox21_201415

Tox21_300337

124-13-0

Octanal, >=95%, FCC, FG

MCULE-7111365457

NCGC00247997-01

NCGC00247997-02

NCGC00254427-01

NCGC00258966-01

CAS-124-13-0

EINECS 204-683-8

Octanal, natural, >=95%, FCC, FG

MolPort-001-783-783

97569-EP2305662A1

97569-EP2374783A1

97569-EP2377841A1

97723-EP2287158A1

97723-EP2305662A1

4-01-00-03337 (Beilstein Handbook Reference)

InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H

IUPAC name

octanal

SMILES

CCCCCCCC=O

Inchi

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

Formula

C₈H₁₆O

PubChem ID

454

Molweight

128.215

LogP

2.54

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Boiling Point

Degree	Reference
171 deg C	Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-402

Volatilization

The Henry's Law constant for octylaldehyde is 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that octylaldehyde 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 5 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Octylaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of octylaldehyde from dry soil surfaces may exist based upon a vapor pressure of 1.18 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. Hemisphere Publ Corp, NY, NY, 4 Vol (1987)

Soil Adsorption

The Koc of octylaldehyde is estimated as 130(SRC), using a water solubility of 560 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octylaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. V5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
1.18 mm Hg at 25 deg C (est)	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 6294 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 22770

MS-MS Spectrum 21219

MS-MS Spectrum 6295 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 22769

MS-MS Spectrum 6297 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 22771

MS-MS Spectrum 21218

MS-MS Spectrum 6296 - EI-B (HP 5970) Positive

MS-MS Spectrum 21220

1D-NMR-Links

1D NMR Spectrum 3827

1D NMR Spectrum 1649 - Varian 500 MHz 1H NMR

1D NMR Spectrum 4976

1D NMR Spectrum 4977

1D NMR Spectrum 4093

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Lactobacillus Rhamnosus CIRM1436	na	Domiati cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Notatum	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Tolypothrix Distorta	n/a		Hoeckelmann et al., 2004
Fungi	Fomes Fomentarius		160-year-old beech forest,51Â°46Â´N 9Â°34Â´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Lactobacillus Rhamnosus CIRM1436	curd-based broth medium	GC/MS	Yes
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Tolypothrix Distorta	n/a	n/a
Fungi	Fomes Fomentarius		GC-MS (SIM)	yes
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS

Decanal

Mass-Spectra

Compound Details

Synonymous names

Caprinaldehyde

Decanaldehyde

Capraldehyde

DECALDEHYDE

Caprinic aldehyde

KSMVZQYAVGTKIV-UHFFFAOYSA-N

KSMVZQYAVGTKIV-UHFFFAOYSA-

n-DECYLALDEHYDE

Capric aldehyde

Decylic aldehyde

Decanal

n-Decaldehyde

Decyl aldehyde

n-Decanal

Decanal, analytical standard

n-Decyl aldehyde

AC1Q2VYO

AC1L1QFM

1-Decanal

Aldehyde C10

1-Decyl aldehyde

SCHEMBL2540

Decanal (natural)

KSC176G3J

U211

NSC6087

ACMC-1C59Q

C-10 aldehyde

D0032

CTK0H6334

Aldehyde C-10

HSDB 288

31Z90Q7KQJ

WLN: VH9

HMDB11623

NE10468

N-decanal (capric aldehyde)

1-Decanal(mixed isomers)

C12307

UNII-31Z90Q7KQJ

LS-2367

CHEMBL2228377

LP001404

NSC 6087

NSC-6087

DTXSID4021553

SBB058676

Jsp000949

ZINC1693270

A802551

CHEBI:31457

DSSTox_CID_1553

ANW-16447

AN-22691

Natural Decanal(C-10)

KB-49635

EBD2219840

SC-22770

DSSTox_GSID_21553

AK-44487

TRA0073044

MFCD00007031

LMFA06000052

DSSTox_RID_76207

ST24030299

AI3-04860

DB-041074

ST51037233

RTR-002413

TR-002413

AKOS000120018

S14-1463

J-002749

FEMA No. 2362

BRN 1362530

FT-0631643

I14-13645

Decanal, natural, >=97%, FG

Tox21_302656

EN300-20146

112-81-2

112-31-2

decanal (ACD/Name 4.0)

Decanal, >=95%, FCC, FG

NCGC00256769-01

CAS-112-31-2

Decanal, >=98% (GC), liquid

EINECS 203-957-4

MolPort-001-769-696

InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

IUPAC name

decanal

SMILES

CCCCCCCCCC=O

Inchi

InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

Formula

C₁₀H₂₀O

PubChem ID

8175

Molweight

156.269

LogP

3.43

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for decaldehyde is 1.8x10-3 atm-cu m/mole(1). This Henry's Law constant indicates that decaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Decaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Decaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Zhou X, Mopper K; Environ Sci Technol 24: 1482-5 (1990) (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)

Solubility

In water 0.00156 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #Soluble in ethanol, ether, acetone; slightly soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-142
Literature: #Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of decaldehyde can be estimated to be 70(SRC). According to a classification scheme(2), this estimated Koc value suggests that decaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 20, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.103 mm Hg at 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

MS-MS Spectrum 6463 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 179988

MS-MS Spectrum 6461 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 6462 - EI-B (HP 5970) Positive

MS-MS Spectrum 182324

MS-MS Spectrum 179990

MS-MS Spectrum 6460 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 182323

MS-MS Spectrum 182322

MS-MS Spectrum 179989

1D-NMR-Links

1D NMR Spectrum 2159 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 2846 - 50.18 MHz 13C NMR

1D NMR Spectrum 2048 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Notatum	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Tolypothrix Distorta	n/a		Hoeckelmann et al., 2004
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Cladosporium Cladosporiodes			Hedlund et al 1995
Fungi	Cladosporium Herbarum			Hedlund et al 1995
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Penicillium Spinulosum			Hedlund et al 1995
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Burkholderia Hospita LMG 20598	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Bacteria	Tolypothrix Distorta	n/a	n/a
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Cladosporium Cladosporiodes		GC-MS	no
Fungi	Cladosporium Herbarum		GC-MS	no
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Penicillium Spinulosum		GC-MS	no
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No

2,6,6-trimethylcyclohexene-1-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names

CYCLOCITRAL

MOQGCGNUWBPGTQ-UHFFFAOYSA-N

beta-Cyclocitral

b-cyclocitral

beta-Cyclocitral, analytical standard

AC1Q2EVL

2,6,6-Trimethylcyclohexenecarbaldehyde

alpha(beta)-Cyclocitral

AC1Q6A3S

AC1L1U2D

.beta.-Cyclocitral

UNII-GLL5338RMI component MOQGCGNUWBPGTQ-UHFFFAOYSA-N

beta-Cyclocitral, >=95%

SCHEMBL309759

C20425

77Y0U2X29G

OR270685

CHEMBL1952257

DTXSID7047142

OR278840

2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde

ACM432257

OR021847

ZINC5766948

CHEBI:53177

UNII-77Y0U2X29G

2,6,6-trimethylcyclohex-1-enecarbaldehyde

2,6,6-Trimethylcyclohexene-1-carbaldehyde

Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-

KB-47960

AN-23446

FCH1119403

DSSTox_GSID_47142

SC-21217

DSSTox_CID_27142

C-54900

DSSTox_RID_82149

MFCD00079078

ST50824363

2,6,6-trimethyl-cyclohexene-1-carboxaldehyde

ACM52844210

AI3-37227

W-202757

2,6,6-trimethyl-cyclohexene-1-carbaldehyde

AKOS022504751

FT-0665336

Tox21_302524

432-25-7

3B1-005322

2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE

MCULE-7819289735

NCGC00256741-01

2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde

2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde

2,6,6-Trimethyl-1-cyclohexen-1-carboxaldehyde

EINECS 258-219-4

EINECS 207-081-3

CAS-432-25-7

1-Formyl-2,6,6-trimethyl-1-cyclohexene

2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde #

MolPort-001-794-308

1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-

InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H

IUPAC name

2,6,6-trimethylcyclohexene-1-carbaldehyde

SMILES

CC1=C(C(CCC1)(C)C)C=O

Inchi

InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3

Formula

C₁₀H₁₆O

PubChem ID

9895

Molweight

152.237

LogP

2.41

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Aldehydes Alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 157981

MS-MS Spectrum 94059

MS-MS Spectrum 157982

MS-MS Spectrum 94061

MS-MS Spectrum 94060

MS-MS Spectrum 157980

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a	Schulz and Dickschat, 2007
Bacteria	Cyanobacteria	n/a	Hoeckelmann et al., 2004
Bacteria	Phormidium Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema Notatum	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a	Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a

Decan-3-one

Mass-Spectra

Compound Details

Synonymous names

XJLDYKIEURAVBW-UHFFFAOYSA-N

Ethyl heptyl ketone

3-DECANONE

Ethyl n-heptyl ketone

CBT4991PRJ

decan-3-one

AC1L220L

5762AF

UNII-CBT4991PRJ

OR6029

D1162

CTK3I7294

ACMC-209ri7

SCHEMBL105548

DTXSID2061303

SCHEMBL8643109

LP003039

CHEBI:87309

ZINC2040169

CC-14944

ANW-39917

AN-48008

3-Decanone, >=97%

ZX-AT010570

UNII-3Z25263NT0 component XJLDYKIEURAVBW-UHFFFAOYSA-N

MFCD00009554

LMFA12000156

C-03596

3-Decanone, 98%

KB-181973

RTR-038442

DB-057342

ST50410197

TR-038442

AKOS009157552

FT-0615582

I14-49872

928-80-3

3-Decanone, >=97%, FG

MCULE-3418685291

EINECS 213-183-9

IUPAC name

decan-3-one

SMILES

CCCCCCCC(=O)CC

Inchi

InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3

Formula

C₁₀H₂₀O

PubChem ID

13576

Molweight

156.269

LogP

3.73

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 98947

MS-MS Spectrum 98946

MS-MS Spectrum 163998

MS-MS Spectrum 164000

MS-MS Spectrum 163999

MS-MS Spectrum 98948

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	rkholderia ambifaria LMG 17828 from root and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19467	n/a	rkholderia ambifaria LMG 17828 from root and LMG 19467 from clinical.	Groenhagen et al., 2013
Fungi	Fomitopsis Pinicola	na	Germany	RÃ¶secke et al., 2000
Bacteria	Cyanobacterial Biofilms	n/a		Schulz and Dickschat, 2007
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Bacteria	Myxococcus Xanthus	n/a		Schulz and Dickschat, 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19467	Luria-Bertani medium, Malt Extract	n/a
Fungi	Fomitopsis Pinicola	na	GC/MS	No
Bacteria	Cyanobacterial Biofilms	n/a	n/a
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Myxococcus Xanthus	n/a	n/a

3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

Mass-Spectra

Compound Details

Synonymous names

LFYXNXGVLGKVCJ-UHFFFAOYSA-N

2-METHYLISOBORNEOL

2-methyl-isoborneol

AC1L28XX

SCHEMBL50282

ACMC-20n4fu

2-Methyl-2-bornanol

CCRIS 6593

OR116942

OR221823

PL000982

2-exo-Hydroxy-2-methyl-bornan

LS-188264

FT-0613061

2-Bornanol, 2-methyl-

2371-42-8

91278-70-5

95097-54-4

27695-81-4

18680-50-7

145164-18-7

1071630-41-5

2-Norbornanol, 1,2,7,7-tetramethyl-

3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol

1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #

(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol

Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-

Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1S,2R,4S)-

IUPAC name

3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

SMILES

CC1(C2CCC1(C(C2)(C)O)C)C

Inchi

InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3

Formula

C₁₁H₂₀O

PubChem ID

16913

Molweight

168.28

LogP

2.27

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Bicyclo Alcohols Terpene

mVOC Specific Details

MS-Links

MS-MS Spectrum 112693

MS-MS Spectrum 50140

MS-MS Spectrum 50141

MS-MS Spectrum 50139

MS-MS Spectrum 112692

MS-MS Spectrum 112694

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	n/a		Dickschat et al., 2007
Bacteria	Cyanobacteria	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na E485	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Streptomyces Lavendulae	n/a		Dickschat et al., 2007
Fungi	Aspergillus Niger			SchnÃ¼rer et al. 1999
Fungi	Penicillium Solitum			SchnÃ¼rer et al. 1999
Bacteria	Actinobacteria Sp.	n/a		Stahl and Parkin, 1976
Bacteria	Actinomycetes Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Chalybea	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Stigmatella Aurantiaca	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Bacteria	Streptomyces Alboflavus TD-1	n/a		Wang et al., 2013
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Fungi	Aspergillus Niger			Priegnitz et al. 2015
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Sp.			Larsen and Frisvad 1995
Fungi	Streptomyces Sp.			Medsker et al. 1969

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Nannocystis Exedens Na E485	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Streptomyces Lavendulae	n/a	n/a
Fungi	Aspergillus Niger	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Penicillium Solitum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Bacteria	Actinobacteria Sp.	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Oscillatoria Chalybea	n/a	n/a
Bacteria	Oscillatoria Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca	n/a	n/a
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Bacteria	Streptomyces Alboflavus TD-1	Gause's synthetic medium	Headspace, solid-phase microextraction
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Fungi	Aspergillus Niger			no
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Sp.			no
Fungi	Streptomyces Sp.			no

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names

Pentylvinylcarbinol

Amylvinylcarbinol

Flowtron mosquito attractant

VSMOENVRRABVKN-UHFFFAOYSA-N

Matsutake alcohol

Morillol

Matsuica alcohol

Matsuika alcohol

Mushroom alcohol

Vinyl hexanol

Vinyl pentyl carbinol

Pentyl vinyl carbinol

Vinyl amyl carbinol

Amyl vinyl carbinol

1-Vinylhexanol

AC1L2CVX

ACMC-20apfw

Matsutake alcohol [Japanese]

ACMC-1CNY7

KSC223I9P

Octen-3-ol

SCHEMBL41968

CTK1C3497

O0159

ACT05316

NSC87563

3-Hydroxy-1-octene

C14272

CCRIS 8804

OR020369

DTXSID3035214

Jsp006175

LP030603

LS-3002

WLN: QY5&1U1

CHEMBL3183573

AK164470

1-Octene-3-ol

octene-1-ol-3

CHEBI:34118

AN-18986

1-Okten-3-ol

NSC-87563

NSC 87563

SC-18002

ANW-27735

TRA0097596

DSSTox_GSID_35214

1-OCTEN-3-OL

1 Octen 3 OL

DSSTox_CID_15214

LMFA05000090

DSSTox_RID_79250

MFCD00004589

RTC-020285

DB-003193

AI3-28627

TC-020285

I14-1194

Q-100412

1-Octen-3-ol, analytical standard

EPA Pesticide Chemical Code 069037

AKOS009157412

Oct-1-ene-3-ol

I14-1157

1 -Octen-3-ol

Oct-1-en-3-ol

FEMA No. 2805

FT-0608181

BRN 1744110

Nat. 1-Octen-3-ol

Tox21_302039

n-Oct-1-en-3-ol

1-Octen-3-ol (natural)

NCGC00255686-01

1-Okten-3-ol [Czech]

3191-86-4

3391-86-4

EINECS 222-226-0

1-Octen-3-ol, 98%

50999-79-6

CAS-3391-86-4

MolPort-001-782-881

1-Octen-3-ol, natural, >=95%, FG

1-Octen-3-ol, 98% 10g

1-Octen-3-ol, >=98%, FCC, FG

IUPAC name

oct-1-en-3-ol

SMILES

CCCCCC(C=C)O

Inchi

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

Formula

C₈H₁₆O

PubChem ID

18827

Molweight

128.215

LogP

2.49

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols alkenes

mVOC Specific Details

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009
Fungi		n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi		None	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Agaricus Bisporus	n/a		Berendsen et al., 2013
Fungi	Agaricus Bisporus A15		Sylvan, UK	Combet et al. 2009
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Aspergillus Candidus		compost	Fischer et al. 2056
Fungi	Aspergillus Flavus	n/a		Stotzky and Schenk, 1976
Fungi	Aspergillus Flavus NRRL 18543	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 25347	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 3357		Japan Collection of Microorganisms at Riken Bioresource Center	Miyamoto et al. 2014
Fungi	Aspergillus Niger	n/a		Meruva et al., 2004
Fungi	Aspergillus Niger NRRL 326	n/a		Beck et al., 2012
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Aspergillus Parasiticus NRRL 5862	n/a		Beck et al., 2012
Fungi	Aspergillus Sydowii	na	na	Steiner et al., 2007
Fungi	Aspergillus Ustus			Polizzi et al., 2012
Fungi	Aspergillus Versicolor	na	na	Steiner et al., 2007
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2056
Fungi	Boletus Edulis			Zawirksa-Wojtasiak 2004
Fungi	Coriolus Versicolor		colonized beetle	Guevara et al 2000
Fungi	Emericella Nidulans		compost	Fischer et al. 2056
Fungi	Fistulina Hepatica			Wu et al. 2005
Fungi	Fomes Fomentarius			FÃ¤ldt et al. 1999
Fungi	Fomitopsis Pinicola	na	Germany	RÃ¶secke et al., 2000
Fungi	Fusarium Spp.			Savelâ€™eva et al. 2014
Fungi	Ganoderma Adspersum		colonized beetle	Guevara et al 2000
Fungi	Gleophyllum Odoratum	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Lentinus Edodes			Zawirksa-Wojtasiak 2004
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Brevicompactum		compost	Fischer et al. 2056
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Penicillium Glabrum NRRL 766	n/a		Beck et al., 2012
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Penicillium Polonicum			Polizzi et al., 2012
Fungi	Penicillium Spp			Kaminski et al. 1974
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Piptoporus Betulinus	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Pleurotus Ostreatus			Beltran-Garcia et al. 1997
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Rhizopus Stolonifer	n/a		Meruva et al., 2004
Fungi	Rhizopus Stolonifer NRRL 54667	n/a		Beck et al., 2012
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	RÃ¶secke et al., 2000
Fungi	Trichoderma Atroviride	n/a		Crutcher et al., 2013
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010
Fungi	Trichoderma Reesei	n/a		Crutcher et al., 2013
Fungi	Trichoderma Spp			Nemcovic et al. 2008
Fungi	Trichoderma Virens	n/a		Crutcher et al., 2013
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
Fungi	Tricholoma Matsutake			Murahashi S. 1938
Fungi	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
Fungi	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism		Splivallo et al., 2007
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Indicum AM406672		Piedmont northern Italy; Yunnan and Sichuan, China	Splivallo et al. 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013
Fungi	Verticilliumspp.			Bengtsson et al 1991
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Sp.	n/a		Bjurman et al., 1997
Fungi	Tuber Borchii	Aroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinense	na	Splivallo and Ebeler 2015
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Serratia Proteamaculans 42M	n/a	n/a
Fungi		n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi		None	microextractionâ€“gas chromatographyâ€“mass spectrometry analysis (SPMEâ€“GCâ€“MS)	No
Fungi	Agaricus Bisporus
Fungi	Agaricus Bisporus A15	comkposted wheat straw	GC-MS / SPME	yes
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Flavus	n/a	n/a
Fungi	Aspergillus Flavus NRRL 18543	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 25347	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 3357	glucose minimal medium	SPME; GC-MS	no
Fungi	Aspergillus Niger	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Niger NRRL 326	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Parasiticus NRRL 5862	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Sydowii	na	GC/MS	No
Fungi	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS
Fungi	Aspergillus Versicolor	na	GC/MS	No
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Boletus Edulis			no
Fungi	Coriolus Versicolor		steam destillation, GC-MS	no
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Fistulina Hepatica		HRGC-MS,; DB5;ZB Wax	no
Fungi	Fomes Fomentarius			no
Fungi	Fomitopsis Pinicola	na	GC/MS	No
Fungi	Fusarium Spp.			no
Fungi	Ganoderma Adspersum		steam destillation, GC-M	no
Fungi	Gleophyllum Odoratum	na	GC/MS	No
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Lentinus Edodes			no
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pencillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Penicillium Glabrum NRRL 766	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Penicillium Polonicum	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS
Fungi	Penicillium Spp		gas-liquid chromatography	no
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Piptoporus Betulinus	na	GC/MS	No
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Ostreatus			no
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar7	Tenax TA / TDGC-MS	yes
Fungi	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Rhizopus Stolonifer NRRL 54667	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trametes Suaveolens	na	GC/MS	No
Fungi	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Spp			no
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tricholoma Matsutake			no
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Indicum AM406672		GC-MS	yes
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Verticilliumspp.			no
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Sp.	n/a	n/a
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS

Nonanal

Mass-Spectra

Compound Details

Synonymous names

Pelargonaldehyde

Nonylaldehyde

Nonanaldehyde

Nonaldehyde

Pelargonic aldehyde

GYHFUZHODSMOHU-UHFFFAOYSA-N

Nonanoic aldehyde

n-Nonylaldehyde

Nonylic aldehyde

Nonoic aldehyde

NONANAL

n-Nonaldehyde

Nonyl aldehyde

n-Nonanal

Nonanal, analytical standard

AC1Q2VXK

1-Nonaldehyde

n-NONYL ALDEHYDE

Aldehyde C9

1-Nonanal

1-Nonyl aldehyde

AC1L1LC8

2L2WBY9K6T

NONYL ALDEHYDE,N-

ACMC-1BPU8

C-9 aldehyde

Aldehyde C-9

2984AD

NSC5518

UNII-2L2WBY9K6T

SCHEMBL22860

WLN: VH8

Nonanal, 95%

QSPL 015

CTK0H8261

CCRIS 664

N0296

C9-11-Aldehydes

Nonyl aldehyde, n-

LS-694

C9-11 Aldehydes

n-Nonan-1-al

HSDB 7229

NSC 5518

NSC-5518

SBB059872

SCHEMBL8876408

LP109307

CHEMBL2228376

DTXSID9021639

ZINC1686990

NCI-C61018

C-4492

CHEBI:84268

DSSTox_CID_1639

TRA0004138

KB-58723

AN-43522

ANW-18196

DSSTox_GSID_21639

MFCD00007030

DSSTox_RID_76253

Nonanal, >=95%, FCC

LMFA06000040

ST51046137

TR-003756

DB-041769

AI3-04859

RTR-003756

J-005053

AKOS009158987

FEMA No. 2782

FT-0631724

BRN 1236701

I14-13650

Tox21_303603

Nonanal, natural, 97%, FG

124-19-6

NCGC00257442-01

EINECS 278-296-8

CAS-124-19-6

EINECS 204-688-5

918959-88-3

MolPort-001-783-881

4-01-00-03352 (Beilstein Handbook Reference)

IUPAC name

nonanal

SMILES

CCCCCCCCC=O

Inchi

InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

Formula

C₉H₁₈O

PubChem ID

31289

Molweight

142.242

LogP

2.99

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for nonanal is 7.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that nonanal is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Nonanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Nonanal is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.37 mm Hg(3) and the detectable odor.
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of nonanal can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that nonanal is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
3.7X10-1 mm Hg at 25 deg C /Extrapolated/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 107884

MS-MS Spectrum 174974

MS-MS Spectrum 107885

MS-MS Spectrum 174972

MS-MS Spectrum 107883

MS-MS Spectrum 174973

1D-NMR-Links

1D NMR Spectrum 3497 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 3639 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Puccinia Graminis Var. Tritici	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.		Stotzky and Schenk, 1976
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Chondromyces Crocatus	Active against the phytopathogenic fungus Sclerotinia sclerotiorum		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Chondromyces Crocatus Cm C5	n/a		Schulz et al., 2004
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Lactobacillus Paracasei CIRM849	na	Majorero cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Notatum	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Aurantiaca	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Corrugate	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Tolypothrix Distorta	n/a		Hoeckelmann et al., 2004
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Puccinia Graminis Var. Tritici	n/a	n/a
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Chondromyces Crocatus	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C5	n/a	n/a
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Lactobacillus Paracasei CIRM849	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Tolypothrix Distorta	n/a	n/a
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS

Oct-1-en-3-one

Compound Details

Synonymous names

KLTVSWGXIAYTHO-UHFFFAOYSA-N

Pentyl vinyl ketone

Vinyl amyl ketone

Amyl vinyl ketone

AC1Q5BIF

ACMC-1ARSW

n-pentyl vinyl ketone

7LT7Z4Q9XR

KSC236C1F

AC1L1V23

UNII-7LT7Z4Q9XR

SCHEMBL84084

CTK1D6112

O0382

LP029867

AK164478

OR022974

DTXSID5047162

CHEMBL3186486

1-OCTEN-3-ONE

ZINC1850834

1-octene-3-one

A826166

CHEBI:88900

CJ-07236

DSSTox_GSID_47162

AB1005952

CJ-30530

KB-13041

MFCD00036558

ZINC01850834

LMFA12000011

DSSTox_RID_82163

DSSTox_CID_27162

AI3-37821

LS-179663

DB-003194

n-Amyl vinyl ketone; n-Pentyl vinyl ketone

TC-020284

1-Octen-3-one, analytical standard

RTC-020284

I14-6306

AKOS007930624

Oct-1-en-3-one

FT-0608182

FEMA No. 3515

Tox21_302710

NCGC00256809-01

4312-99-6

EINECS 224-327-5

1-Octen-3-one, 96%

CAS-4312-99-6

MolPort-003-960-136

1-octen-3-one (50% in 1-octen-3-ol)

1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG

IUPAC name

oct-1-en-3-one

SMILES

CCCCCC(=O)C=C

Inchi

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3

Formula

C₈H₁₄O

PubChem ID

61346

Molweight

126.199

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 50938

MS-MS Spectrum 174845

MS-MS Spectrum 174844

MS-MS Spectrum 50939

MS-MS Spectrum 174843

MS-MS Spectrum 50937

MS-Links

GC-MS Spectrum 2376

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Fungi	Fomes Fomentarius		160-year-old beech forest,51Â°46Â´N 9Â°34Â´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al., 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Fungi	Fomes Fomentarius		GC-MS (SIM)	yes
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Aestivum	na	SPME-GC/MS	No

2,6,6-trimethylcyclohex-2-en-1-one

Compound Details

Synonymous names

NAXZOZQQIIMORY-UHFFFAOYSA-N

AC1L3FI5

AC1Q6CF7

CTK4E3031

077U78EJL5

SCHEMBL2996151

OR126447

OR038555

UNII-077U78EJL5

DTXSID10173830

2,6,6-trimethyl-2-cyclohexenone

EINECS 243-465-7

20013-73-4

2,6,6-Trimethylcyclohex-2-en-1-one

2,6,6-Trimethyl-2-cyclohexen-1-one

2,6,6-trimethyl-cyclohex-2-en-1-one

2-Cyclohexen-1-one, 2,6,6-trimethyl-

IUPAC name

2,6,6-trimethylcyclohex-2-en-1-one

SMILES

CC1=CCCC(C1=O)(C)C

Inchi

InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3

Formula

C₉H₁₄O

PubChem ID

88332

Molweight

138.21

LogP

2.98

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes Ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a	Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a	Hoeckelmann et al., 2004
Bacteria	Phormidium Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Notatum	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a	Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a

4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

Compound Details

Synonymous names

AC1L3KYV

CTK8H7253

AN-17967

EINECS 245-542-0

4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2

4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

4-(2,2,6-Trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-buten-2-one

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-

IUPAC name

4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

SMILES

CC(=O)C=CC12C(CCCC1(O2)C)(C)C

Inchi

InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3

Formula

C₁₃H₂₀O₂

PubChem ID

90899

Molweight

208.301

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Ethers Ketones Alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063	n/a	Dickschat et al., 2005_3
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a	Schulz and Dickschat, 2007
Bacteria	Cyanobacteria	n/a	Hoeckelmann et al., 2004
Bacteria	Cytophaga-Flavobacteria-Bacteroides Group	n/a	Schulz and Dickschat, 2007
Bacteria	Phormidium Sp.	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema Notatum	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Spirulina Platensis	n/a	Schulz and Dickschat, 2007
Bacteria	Tolypothrix Distorta	n/a	Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Spirulina Platensis	n/a	n/a
Bacteria	Tolypothrix Distorta	n/a	n/a

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Mass-Spectra

Compound Details

Synonymous names

QJJDNZGPQDGNDX-UHFFFAOYSA-N

Oxidized Latia luciferin

Dihydro Lonone Beta

Dihydro-beta-ionone

AC1LAS8K

DIHYDRO-?-IONONE

Dihydro-|A-ionone

710YK6CESE

UNII-710YK6CESE

Dihydro-.beta.-ionone

SCHEMBL441670

Dihydro-beta-ionone, >=90%

C03527

LS-2671

DTXSID4047200

OR048600

OR230956

CHEMBL3188345

CHEBI:18015

ZINC2565574

7,8-Dihydro-beta-ionone

AJ-41132

DSSTox_GSID_47200

STOCK1N-72264

AN-18697

AK-60960

ZINC02565574

DSSTox_RID_82195

DSSTox_CID_27200

AI3-32482

AKOS015903877

.beta.-7,8-Dihydroionone

.beta.-Ionone, dihydro-

FEMA No. 3626

I14-18428

Tox21_302666

7,8-Dihydro-.beta.-ionone

NCGC00256712-01

EINECS 241-318-1

17283-81-7

.alpha.,.beta.-Dihydro-.beta.-ionone

MolPort-003-721-207

CAS-17283-81-7

4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone

4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one

4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one

4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone

4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one

4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one

1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one

2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H

IUPAC name

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

SMILES

CC1=C(C(CCC1)(C)C)CCC(=O)C

Inchi

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3

Formula

C₁₃H₂₂O

PubChem ID

519382

Molweight

194.318

LogP

3.28

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Ketones Alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 136355

MS-MS Spectrum 136354

MS-MS Spectrum 50099

MS-MS Spectrum 136353

MS-MS Spectrum 50097

MS-MS Spectrum 50098

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a	Schulz and Dickschat, 2007
Bacteria	Cyanobacteria	n/a	Hoeckelmann et al., 2004
Bacteria	Phormidium Sp.	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema Notatum	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a	Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names

beta-Cyclocitrylideneacetone

PSQYTAPXSHCGMF-BQYQJAHWSA-N

.beta.-Cyclocitrylideneacetone

AC1LCVGO

BETA-IONONE

beta-Ionon

trans-beta-Ionone

beta-Ionone, analytical standard

A7NRR1HLH6

beta-E-Ionone

IONONE, BETA

AC1Q1JB4

UNII-A7NRR1HLH6

Nat. Beta Ionone

UNII-QP734LIN1K component PSQYTAPXSHCGMF-BQYQJAHWSA-N

.beta.-Ionene

.beta.-Ionone

SCHEMBL23953

CHEMBL559945

LS-871

NSC46137

trans-.beta.-Ionone

BDBM181139

C12287

CCRIS 6249

HSDB 8269

(E)-beta-Ionone

AK116682

AK155870

AM806748

BBL009828

beta-Ionone, 96%

DTXSID4021769

Jsp002814

NSC402758

OR048073

OR342596

SBB017514

STK801279

CHEBI:32325

DSSTox_CID_1769

Z-1830

ZINC3881456

AJ-46632

AN-19278

DSSTox_GSID_21769

FCH2253011

FCH4510490

NSC-46137

5,7-Megastigmadien-9-one

BB_NC-0321

DSSTox_RID_76315

MFCD00001549

ZINC03881456

Ionone, .beta.-

KB-186187

KB-237357

NSC 402758

NSC-402758

RTR-006010

ST24035055

ST50306954

TR-006010

WT-131223

9-apo-beta-caroten-9-one

AKOS000121023

BB_NC-00321

J-008542

W-104258

4CH-024696

FT-0622918

FT-0627280

FT-0670401

.beta.-Ionone isomer # 1

.beta.-Ionone isomer # 2

79-77-6

I14-13931

I14-18323

BBV-75856003

Tox21_201454

Tox21_302862

US9144538, beta-Ionone

beta-Ionone, natural, >=85%, FG

CAS-79-77-6

8013-90-9

NCGC00248145-01

NCGC00248145-02

NCGC00256534-01

NCGC00259005-01

US9138393, ?-Ionone

EINECS 238-969-9

EINECS 288-959-3

14901-07-6

85949-43-5

EC 201-224-3

EC 238-969-9

beta-Ionone, predominantly trans, >=97%, FCC, FG

MolPort-001-783-113

1353674-22-2

beta-Ionone, natural (US), >=85%, FG

beta-Ionone, purum, >=95.0% (GC)

WLN: L6UTJ A1U1V1 B1 F1 F1

2-07-00-00140 (Beilstein Handbook Reference)

4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one

4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-[2,6,6-Trimethyl-1-cyclohexen-1-yl]-3-buten-2-one

(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one

4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|

(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-

4-(2,6,6-Ey(1/4)x>>u-1->>.(1/4) masculineI(c)>>u)-3- paragraph sign inverted exclamation markI(c)-2-I feminine

InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7

IUPAC name

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

SMILES

CC1=C(C(CCC1)(C)C)C=CC(=O)C

Inchi

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

Formula

C₁₃H₂₀O

PubChem ID

638014

Molweight

192.302

LogP

3.28

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Ketones Alkenes

mVOC Specific Details

Volatilization

The Henry's Law constant for beta-ionone is estimated as 8.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.054 mm Hg(1), and water solubility, 169 mg/L(1). This Henry's Law constant indicates that beta-ionone 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 19 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 10 days(SRC). beta-Ionone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, beta-ionone may volatilize from dry soil(SRC).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of beta-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that beta-ionone is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.054 mm Hg at 25 deg C	Fichan I et al; J Chem Eng Data 44: 56-62 (1999)

MS-Links

MS-MS Spectrum 164351

MS-MS Spectrum 164350

MS-MS Spectrum 164349

MS-MS Spectrum 99236

MS-MS Spectrum 99234

MS-MS Spectrum 99235

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a	Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a	Schulz and Dickschat, 2007
Bacteria	Cyanobacteria	n/a	Hoeckelmann et al., 2004
Bacteria	Cytophaga-Flavobacteria-Bacteroides Group	n/a	Schulz and Dickschat, 2007
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063	n/a	Dickschat et al., 2005_3
Bacteria	Oscillatoria Perornata	n/a	Schulz and Dickschat, 2007
Bacteria	Phormidium Sp.	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema	n/a	Schulz and Dickschat, 2007
Bacteria	Plectonema Notatum	n/a	Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a	Hoeckelmann et al., 2004
Bacteria	Tolypothrix Distorta	n/a	Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063	n/a	n/a
Bacteria	Oscillatoria Perornata	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Tolypothrix Distorta	n/a	n/a

(2E,4E)-hepta-2,4-dienal

Mass-Spectra

Compound Details

Synonymous names

SATICYYAWWYRAM-VNKDHWASSA-N

AC1NR20Q

VY79R3SU8X

UNII-VY79R3SU8X

OR6046

5966AB

2,4-Heptdienal

2,4-HEPTADIENAL

SCHEMBL231268

SCHEMBL231267

trans,trans-2,4-Heptadienal

Trans-2-trans-4-Heptadienal

LP001589

AK116638

BC218794

CHEMBL2269080

LS-2779

A826167

ZINC2567938

KB-61823

CJ-09817

AN-20279

LS-74194

AJ-41513

AB1005954

ZINC02567938

trans,trans-Hepta-2,4-dienal

LMFA06000024

C-00395

CHEBI:132837

MFCD00007005

ST24033962

DB-003790

KB-206062

RT-002262

AKOS015900514

I14-0736

Q-100006

2,4-Heptadien-1-al

FT-0694236

FT-0635219

FEMA No. 3164

BRN 1739522

I14-14202

trans,trans-2,4-Heptandienal, >=88%

(E,E)-2,4-Heptadienal

5910-85-0

4313-03-5

2,4-(E,E)-Heptadienal

2,4-Heptadienal, technical grade, 90%

EINECS 227-627-4

EINECS 224-328-0

(e, e)-2,4-heptadienal

(2E,4E)-2,4-Heptadienal

(2E,4Z)-2,4-heptadienal

(2Z,4E)-2,4-Heptadienal

Hepta-2(E),4(E)-dienal

(e,e)-hepta-2,4-dienal

MolPort-001-769-755

(2E,4E)-2,4-Heptadienal #

2,4-Heptadienal, (E,E)-

(2E,4E)-Hepta-2,4-dienal

(E,E)-2,4-Heptadien-1-al

2,4-Heptadienal, (2E,4E)-

(E)-2,(E)-4- Heptadienal

(2E,4E)-1-oxohepta-2,4-diene

IUPAC name

(2E,4E)-hepta-2,4-dienal

SMILES

CCC=CC=CC=O

Inchi

InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+

Formula

C₇H₁₀O

PubChem ID

5283321

Molweight

110.156

LogP

1.73

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes Alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Fungi	Trametes Gibbosa		Thakeow et al. 2008
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	Hoeckelmann et al., 2004
Bacteria	Bacillus Subtilis(BL02)	n/a	Wei-wei et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Trametes Gibbosa			no
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Bacillus Subtilis(BL02)	n/a	n/a

(2E,4E)-octa-2,4-dienal

Mass-Spectra

Compound Details

Synonymous names

Octadienal

DVVATNQISMINCX-YTXTXJHMSA-N

DVVATNQISMINCX-UHFFFAOYSA-N

PR4J26TQJD

AC1NR21E

UNII-PR4J26TQJD

R556

EBD7301

2.4-Octadienal

2,4-Octadienal

W5281

ACT03301

SCHEMBL225645

SCHEMBL225646

trans-2-trans-4-Octadienal

trans-2,trans-4-octadienal

trans,trans-2,4-Octadienal

BC218795

Jsp005729

LP025999

Octa-2,4-dienal

OR021658

SBB067100

ZINC1850579

2,4-Octadienal, predominantly trans,trans

A820344

A830802

ST2414212

AK-88482

FCH1121296

AB1006071

CJ-30500

AJ-32053

AX8067262

trans,trans-Octa-2,4-dienal

ZINC01850579

LMFA06000034

DB-003127

TC-133932

KB-206064

I14-1145

I14-6303

AKOS015899862

FT-0657092

FT-0651644

FEMA No. 3721

2,4-Octadien-1-al

2,4-Octadienal, trans,trans-

5577-44-6

(E,E)-2,4-octadienal

EINECS 250-147-1

2,4-octadien-1-al, No Antioxidant

38743-20-3

30361-28-5

(e,e)-octa-2,4-dienal

(2E,4E)-2,4-Octadienal

2,4-Octadienal, predominantly trans,trans, >=95%, FG

(E)-2,(E)-4-Octadienal

2,4-Octadienal, (E,E)-

(2E,4E)-Octa-2,4-dienal

(E,E)-2,4-Octadien-1-al

2,4-Octadienal, (2E,4E)-

IUPAC name

(2E,4E)-octa-2,4-dienal

SMILES

CCCC=CC=CC=O

Inchi

InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+

Formula

C₈H₁₂O

PubChem ID

5283329

Molweight

124.183

LogP

2.18

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes Alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 104943

MS-MS Spectrum 171327

MS-MS Spectrum 171329

MS-MS Spectrum 171328

MS-MS Spectrum 104944

MS-MS Spectrum 104945

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a

(2E,4E)-nona-2,4-dienal

Mass-Spectra

Compound Details

Synonymous names

Nonadienal

ZHHYXNZJDGDGPJ-BSWSSELBSA-N

R555

AC1NR227

2,4-NONADIENAL

N0521

SCHEMBL230878

SCHEMBL230877

trans-trans-2,4-nonadienal

Trans-2-trans-4-nonadienal

trans-2,trans-4-Nonadienal

trans,trans-2,4-Nonadienal

2,4-trans,trans-Nonadienal

Y411G77SH7

LP084629

SBB067043

A832160

UNII-Y411G77SH7

ZINC2029886

AN-20038

KB-81198

FCH1116722

AN-21268

trans,trans-2,4-Nonadienal, analytical standard

AB1005955

CJ-07469

ZINC02029886

trans,trans-Nona-2,4-dienal

MFCD00007006

LMFA06000045

ACM30551178

RT-002305

AI3-37786

I14-0737

AKOS015900515

Q-100683

FT-0653198

FEMA No. 3212

I14-14201

trans,trans-2,4-Nonadien-1-al

Nona-2,4-dien-1-al

trans,trans-2,4-Nonadienal, >=85%

6750-03-4

5910-87-2

EINECS 250-233-9

EINECS 229-810-4

EINECS 227-629-5

30551-17-8

(2E,4E)-2,4-Nonadienal

(2E,4E)nona-2,4-dienal

157960-14-0

MolPort-003-927-284

trans,trans-2,4-Nonadienal, >=89%, FG

2,4-Nonadienal, (E,E)-

2,4-Nonadienal,(2E,4E)-

(2E,4E)-nona-2,4-dienal

(E,E)-2,4-nonadien-1-al

2,4-Nonadienal, (2E,4E)-

IUPAC name

(2E,4E)-nona-2,4-dienal

SMILES

CCCCC=CC=CC=O

Inchi

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+

Formula

C₉H₁₄O

PubChem ID

5283339

Molweight

138.21

LogP

2.62

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes Aldehydes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Fungi	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	RÃ¶secke et al., 2000
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Fungi	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
Fungi	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
Fungi	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Fungi	Trametes Suaveolens	na	GC/MS	No
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Indicum			Yes

6-[(E)-but-1-enyl]cyclohepta-1,4-diene

Compound Details

Synonymous names

AC1NSP7Q

6-(1-Butenyl)-1,4-cycloheptadiene

6-[(E)-but-1-enyl]cyclohepta-1,4-diene

IUPAC name

6-[(E)-but-1-enyl]cyclohepta-1,4-diene

SMILES

CCC=CC1CC=CCC=C1

Inchi

InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3/b8-3+

Formula

C₁₁H₁₆

PubChem ID

5367437

Molweight

148.249

LogP

3.65

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a

(5Z)-octa-1,5-dien-3-ol

Compound Details

Synonymous names

APFBWMGEGSELQP-WAYWQWQTSA-N

AC1O5A20

LP004017

SCHEMBL1116443

LMFA05000493

1,5Z-Octadien-3-ol

3B1-005663

Octa-1,5-dien-3-ol

Z-1,5-Octadien-3-ol

50306-18-8

(Z)-1,5-Octadiene-3-ol

(Z)-1,5-octadien-3-ol

(5Z)-octa-1,5-dien-3-ol

1,5-Octadien-3-ol, (Z)-

( Z, Z)-1,5-octadien-3-ol

IUPAC name

(5Z)-octa-1,5-dien-3-ol

SMILES

CCC=CCC(C=C)O

Inchi

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5-

Formula

C₈H₁₄O

PubChem ID

6430307

Molweight

126.199

LogP

2.12

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes Alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Fomes Fomentarius		160-year-old beech forest,51Â°46Â´N 9Â°34Â´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Fungi	Piptoporus Betulinus	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	RÃ¶secke et al., 2000
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Trichothecium Roseum			VanHaelen et al. 1980
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Fungi	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
Fungi	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Fomes Fomentarius		GC-MS (SIM)	yes
Fungi	Piptoporus Betulinus	na	GC/MS	No
Fungi	Trametes Suaveolens	na	GC/MS	No
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Trichothecium Roseum		GC-MS	no
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS

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

Compound Details

Synonymous names

JLPUXFOGCDVKGO-TUAOUCFPSA-N

GEOSMIN

AC1L1I2Q

MYW912WXJ4

UNII-MYW912WXJ4

SCHEMBL50009

C16286

OR238484

4,8a-Dimethyl-decahydronaphthalen-4a-ol

OR031361

4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

CHEMBL2374043

CHEBI:46702

ZINC3870304

(-)-geosmin

LS-95000

trans-1,10-dimethyl-trans-decalol

Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol

AKOS006282977

trans-1,10-Dimethyl-trans-9-decalol

4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #

Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol

NCGC00165950-01

EINECS 243-239-8

19700-21-1

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-

(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl- (8CI)

(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol

4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-

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

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-

IUPAC name

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

SMILES

CC1CCCC2(C1(CCCC2)O)C

Inchi

InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1

Formula

C₁₂H₂₂O

PubChem ID

29746

Molweight

182.307

LogP

3.17

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Bicyclo Alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	n/a		Dickschat et al., 2007
Bacteria	Cyanobacteria	n/a		Dickschat et al., 2007
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2007
Bacteria	Myxococcus Xanthus	n/a		Nawrath et al., 2008
Bacteria	Nannocystis Exedens Na E485	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Streptomyces Griseus	n/a		Nawrath et al., 2008
Bacteria	Streptomyces Spp.	n/a		Dickschat et al., 2007
Bacteria	Actinobacteria Sp.	n/a		Stahl and Parkin, 1976
Bacteria	Anabaena Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Lyngbya	n/a		Schulz and Dickschat, 2007
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Bacteria	Myxococcus Xanthus	n/a		Schulz and Dickschat, 2007
Bacteria	Nannocystis Exedens	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Stigmatella Aurantiaca	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus IMRU 3491	na	na	Gerber and Lechavelier, 1967
Bacteria	Streptomyces Antibioticus IMRU 3720	na	na	Gerber and Lechavelier, 1966
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Citreus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Coelicolor	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Fradiae IMRU 3535	na	na	Gerber and Lechavelier, 1968
Bacteria	Streptomyces Fradiae IMRU 3535-R7	na	na	Gerber and Lechavelier, 1969
Bacteria	Streptomyces Griseus	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus LP-16	na	na	Gerber and Lechavelier, 1965
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Odorifer IMRU 3334	na	na	Gerber and Lechavelier, 1970
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sulfureus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Niger			Priegnitz et al. 2015
Fungi	Chaetomium Globosum			Kikuchi et al. 1983
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Discolor			SchnÃ¼rer et al. 1999
Fungi	Penicillium Expansum	n/a		Mattheis and Roberts, 1992
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Sp.			Larsen and Frisvad 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Streptomyces Griseus			Gerber and Lechevalier 1965
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Myxococcus Xanthus	n/a	n/a
Bacteria	Nannocystis Exedens Na E485	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Actinobacteria Sp.	n/a	n/a
Bacteria	Anabaena Sp.	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Chondromyces Crocatus	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Lyngbya	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Nannocystis Exedens	n/a	n/a
Bacteria	Oscillatoria Sp.	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca	n/a	n/a
Bacteria	Streptomyces Albidoflavus	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus IMRU 3491	Pablum	GC
Bacteria	Streptomyces Antibioticus IMRU 3720	SBM/Pablum	GC
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Citreus	n/a	n/a
Bacteria	Streptomyces Coelicolor	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Fradiae IMRU 3535	Pablum	GC
Bacteria	Streptomyces Fradiae IMRU 3535-R7	SBM Pablum	GC
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus LP-16	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Odorifer IMRU 3334	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sulfureus	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Niger			no
Fungi	Chaetomium Globosum			no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Discolor	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Penicillium Expansum	n/a	n/a
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Sp.			no
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Streptomyces Griseus			no
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS

Deca-2,4,7-trienal

Compound Details

Synonymous names

CTK1D5850

CTK1G4964

43108-49-2

51325-37-2

IUPAC name

deca-2,4,7-trienal

SMILES

CCC=CCC=CC=CC=O

Inchi

InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3

Formula

C₁₀H₁₄O

PubChem ID

181747

Molweight

150.221

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes Aldehydes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a

Results for: Species: biofilms A (Rivularia sp./Calothrix parietina community) Signature

Octanal

Compound Details

mVOC Specific Details

Decanal

Compound Details

mVOC Specific Details

2,6,6-trimethylcyclohexene-1-carbaldehyde

Compound Details

mVOC Specific Details

Decan-3-one

Compound Details

mVOC Specific Details

3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

Compound Details

mVOC Specific Details

Oct-1-en-3-ol

Compound Details

mVOC Specific Details

Nonanal

Compound Details

mVOC Specific Details

Oct-1-en-3-one

Compound Details

mVOC Specific Details

2,6,6-trimethylcyclohex-2-en-1-one

Compound Details

mVOC Specific Details

4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

Compound Details

mVOC Specific Details

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Compound Details

mVOC Specific Details

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Compound Details

mVOC Specific Details

(2E,4E)-hepta-2,4-dienal

Compound Details

mVOC Specific Details

(2E,4E)-octa-2,4-dienal

Compound Details

mVOC Specific Details

(2E,4E)-nona-2,4-dienal

Compound Details

mVOC Specific Details

6-[(E)-but-1-enyl]cyclohepta-1,4-diene

Compound Details

mVOC Specific Details

(5Z)-octa-1,5-dien-3-ol

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

Deca-2,4,7-trienal

Compound Details

mVOC Specific Details

Results for:
Species: biofilms A (Rivularia sp./Calothrix parietina community)

Signature