Results for:
Species: Calothrix parietina

Signature

2,6,6-trimethylcyclohexene-1-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names

beta-Cyclocitral

432-25-7

b-cyclocitral

2,6,6-Trimethylcyclohexene-1-carbaldehyde

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

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

.beta.-Cyclocitral

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

CYCLOCITRAL

2,6,6-trimethylcyclohex-1-enecarbaldehyde

alpha(beta)-Cyclocitral

2,6,6-Trimethylcyclohexenecarbaldehyde

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

beta -cyclocitral

Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-

MFCD00079078

52844-21-0

DTXSID7047142

CHEBI:53177

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

77Y0U2X29G

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

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

UNII-77Y0U2X29G

beta cyclocitral

beta-cyclocitrol

beta-Cyclocitral, Technical Grade

EINECS 207-081-3

AI3-37227

2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde

UNII-GLL5338RMI

beta-Cyclocitral, >=95%

GLL5338RMI

CYCLOCITRAL, .BETA.-

SCHEMBL309759

b-Cyclocitral, Technical Grade

CHEMBL1952257

DTXCID5027142

?-Cyclocitral, Technical Grade

EINECS 258-219-4

Tox21_302524

beta-Cyclocitral, analytical standard

AKOS022504751

CS-W010947

HY-W010231

MCULE-7819289735

FEMA NO. 3639, .BETA.-

NCGC00256741-01

AS-56746

CAS-432-25-7

SY029933

2,6,6-Trimethyl-1-cyclohexenecarbaldehyde

2,6,6-Trimethyl-Cyclohexenecarboxaldehyde

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

DB-302496

NS00013267

C20425

EN300-180215

F14917

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

W-202757

Q27124011

Z1255386953

Pentadeuterio-beta-cyclocitral;1-Formyl-2,6,6-trimethyl-1-cyclohexene

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

Microorganism:

Yes

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

152.23

LogP

2.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkenes aldehydes ketones terpenoids

CHEBI-ID

53177

Supernatural-ID

SN0231223

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008216

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no

Heptadec-1-ene

Mass-Spectra

Compound Details

Synonymous names

1-HEPTADECENE

heptadec-1-ene

6765-39-5

HEPTADECENE

Hexahydroaplotaxene

NSC 77132

26266-05-7

64743-02-8

MFCD00009000

NSC-77132

P33057D09T

heptadecen

1-aHeptadecene

UNII-P33057D09T

EINECS 229-825-6

EINECS 247-567-2

EINECS 265-207-2

C17H34

C30-38 olefin

1-Heptadecene, 98%

AI3-36483

UNII-04DAD0KDZ0

04DAD0KDZ0

CHEBI:64502

DTXSID00873236

NSC77132

LMFA11000318

AKOS015912747

1-heptadecene [standard material for gc]

DB-055053

H0372

NS00046571

S0347

D90849

Q27104917

Microorganism:

Yes

IUPAC name

heptadec-1-ene

SMILES

CCCCCCCCCCCCCCCC=C

Inchi

InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3

Formula

C₁₇H₃₄

PubChem ID

23217

Molweight

238.5

LogP

9.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkenes unsaturated hydrocarbons

CHEBI-ID

64502

Supernatural-ID

SN0002741

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006885

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012237

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Penicillium Sp.		NA	Takeuchi et al. 2012
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Saccharomyces Cerevisiae			Qin et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Sp.			no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no

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

Mass-Spectra

Compound Details

Synonymous names

BETA-IONONE

79-77-6

14901-07-6

(E)-beta-Ionone

trans-beta-Ionone

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

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

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

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

.beta.-Ionone

b-ionone

beta-E-Ionone

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

beta-Cyclocitrylideneacetone

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

FEMA No. 2595

CCRIS 6249

NSC 402758

beta-Ionon

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

UNII-A7NRR1HLH6

A7NRR1HLH6

EINECS 238-969-9

Ionone, .beta.-

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

CCRIS 4289

beta-Ionone (trans)

trans-.beta.-Ionone

DTXSID4021769

CHEBI:32325

(E)-|A-Ionone

IONONE, BETA

EINECS 201-224-3

EINECS 288-959-3

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

MFCD00001549

NSC-46137

9-apo-beta-caroten-9-one

NSC-402758

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

BRN 1909544

.beta.-Cyclocitrylideneacetone

AI3-25073

DTXCID901769

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

HSDB 8269

.beta.-Ionene

EC 201-224-3

EC 238-969-9

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

NSC46137

85949-43-5

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

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

ss-Ionone

CAS-79-77-6

WLN: L6UTJ A1U1V1 B1 F1 F1

(E)-.beta.-Ionone

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

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

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

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

DTXSID9025451

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

beta ionone

beta -ionone

beta -E-ionone

Ionone, beta-

|A-Jonone

Trans-beta -ionone

(E)-beta -ionone

beta-Ionone, 96%

beta-Ionone, synthetic

BETA-IONONE [FCC]

(3E)-BETA-IONONE

.beta.-Ionone isomer # 1

.beta.-Ionone isomer # 2

SCHEMBL23953

.BETA.-IONONE [MI]

.BETA.-IONONE [FHFI]

US9144538, beta-Ionone

CHEMBL559945

beta-Ionone, analytical standard

DTXCID3027952

US9138393, ?-Ionone

FEMA 2595

BETA-CYCLOCITRYLIDENACETONE

3-BENZYLAMINO-PROPIONICACID

BDBM181139

HY-W015084A

Tox21_201454

Tox21_300709

Tox21_302862

BBL009828

NSC402758

STK801279

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

AKOS000121023

CS-W015800

HY-W015084

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

NCGC00248145-01

NCGC00248145-02

NCGC00256534-01

NCGC00257517-01

NCGC00259005-01

AM806748

AS-68699

VS-02204

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

CAS-14901-07-6

CS-0149266

NS00001727

EN300-18432

D70747

EN300-755077

F81525

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

J-008542

W-104258

Q27114873

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

F0451-1336

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

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

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

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

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

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

Microorganism:

Yes

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

192.3

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones terpenes

CHEBI-ID

32325

Supernatural-ID

SN0294157-01

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002590

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005789

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007135

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007558

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008221

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum		NA	Yang et al. 2022
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Perornata	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole GC-MS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Oscillatoria Perornata	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no

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

Compound Details

Synonymous names

GEOSMIN

19700-21-1

(-)-geosmin

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

MYW912WXJ4

CHEBI:46702

trans-1,10-dimethyl-trans-decalol

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

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

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

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

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

(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol

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

(+/-)-Geosmin

1,10-Dimethyl-9-decalol

EINECS 243-239-8

UNII-MYW912WXJ4

rac Geosmin

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

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

GEOSMIN [MI]

4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL

39 - Geosmin and MIB

SCHEMBL50009

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

CHEMBL2374043

FEMA NO. 4682

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

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

DTXSID801024112

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

NCGC00165950-01

(+/-)-Geosmin 10 microg/mL in Methanol

(+/-)-Geosmin 100 microg/mL in Methanol

NS00122563

Q420233

Microorganism:

Yes

IUPAC name

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

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

182.3

LogP

3.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

46702

Supernatural-ID

SN0168756-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Penicillium Discolor		NA	Schnürer et al. 1999
Eukaryota	Penicillium Expansum		NA	Schnürer et al. 1999
Prokaryota	Streptomyces Sp.	antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)	coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean Sea	Gómez et al. 2021
Prokaryota	Streptomyces Salmonis	control of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03	Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, Thailan	Boukaew et al. 2021
Prokaryota	Myxococcus Xanthus	strongly altered movement of Caenorhabditis elegans	Leibniz Institute DSMZ-German Collection of Microorganisms and Cell Cultures	Zaroubi et al. 2022
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Streptomyces Griseus		NA	Riu et al. 2022
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Griseus	n/a	NA	Nawrath et al. 2008
Prokaryota	Myxococcus Xanthus	n/a	NA	Nawrath et al. 2008
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Albus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Eukaryota	Penicillium Expansum	n/a	NA	Mattheis and Roberts 1992
Prokaryota	Actinobacteria Sp.	n/a	NA	Stahl and Parkin 1976
Prokaryota	Streptomycetes Sp.	n/a	NA	Stritzke et al. 2004
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Anabaena Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Lyngbya Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Citreus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sulphureus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Griseus	n/a	NA	Dickschat et al. 2005
Prokaryota	Streptomyces Coelicolor	n/a	NA	Dickschat et al. 2005
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Prokaryota	Streptomyces Griseus		NA	Gerber and Lechevalier 1965
Eukaryota	Aspergillus Niger		NA	Priegnitz et al. 2015
Eukaryota	Penicillium Sp.		NA	Larsen and Frisvad 1995
Eukaryota	Chaetomium Globosum		NA	Kikuchi et al. 1983
Prokaryota	Streptomyces Griseus	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Antibioticus	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Fradiae	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Odorifer	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Penicillium Discolor	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Expansum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Streptomyces Sp.	ISP2 (International Streptomyces Project) media	GS-MS	no
Prokaryota	Streptomyces Salmonis	GYM agar	SPME/GC-MS	no
Prokaryota	Myxococcus Xanthus	1 % CTT media	GC-MS	yes
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	yes
Prokaryota	Streptomyces Griseus	TSA media, sterile soil	SPME/GC-MS	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Rishiriensis	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Albus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Antibioticus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Coelicolor	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hirsutus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Eukaryota	Penicillium Expansum	n/a	n/a	no
Prokaryota	Actinobacteria Sp.	n/a	n/a	no
Prokaryota	Streptomycetes Sp.	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Anabaena Sp.	n/a	n/a	no
Prokaryota	Lyngbya Sp.	n/a	n/a	no
Prokaryota	Oscillatoria Sp.	n/a	n/a	no
Prokaryota	Streptomyces Albus	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Citreus	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Streptomyces Antibioticus	n/a	n/a	no
Prokaryota	Streptomyces Sulphureus	n/a	n/a	no
Prokaryota	Streptomyces Coelicolor	n/a	n/a	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Streptomyces Griseus			no
Eukaryota	Aspergillus Niger			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Chaetomium Globosum			no
Prokaryota	Streptomyces Griseus	YD + CaCO3/SBM/Pablum	GC	no
Prokaryota	Streptomyces Antibioticus	SBM/Pablum	GC	no
Prokaryota	Streptomyces Antibioticus	Pablum	GC	no
Prokaryota	Streptomyces Fradiae	Pablum	GC	no
Prokaryota	Streptomyces Fradiae	SBM Pablum	GC	no
Prokaryota	Streptomyces Odorifer	YD + CaCO3/SBM/Pablum	GC	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Eukaryota	Penicillium Commune	DG18,MEA	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

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

Mass-Spectra

Compound Details

Synonymous names

2-METHYLISOBORNEOL

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

2-Bornanol, 2-methyl-

68330-43-8

(-)-2-Methyl Isoborneol

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-, (1R-exo)-

18680-50-7

CCRIS 6593

D43XMP4DNW

2-Methylborneol

starbld0001530

UNII-D43XMP4DNW

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

SCHEMBL50282

LFYXNXGVLGKVCJ-UHFFFAOYSA-N

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

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

Q1082826

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

Microorganism:

Yes

IUPAC name

1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-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

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

61987

Supernatural-ID

SN0204428

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

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Niger		NA	Schnürer et al. 1999
Eukaryota	Penicillium Solitum		NA	Schnürer et al. 1999
Prokaryota	Streptomyces Sp.	antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)	coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean Sea	Gómez et al. 2021
Prokaryota	Streptomyces Lavendulae	n/a	NA	Dickschat et al. 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Chalybea	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinobacteria Sp.	n/a	NA	Stahl and Parkin 1976
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Streptomyces Alboflavus	n/a	NA	Wang et al. 2013
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Prokaryota	Streptomyces Sp.		NA	Medsker et al. 1969
Eukaryota	Aspergillus Niger		NA	Priegnitz et al. 2015
Eukaryota	Penicillium Sp.		NA	Larsen and Frisvad 1995
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Niger	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Solitum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Streptomyces Sp.	ISP2 (International Streptomyces Project) media	GS-MS	no
Prokaryota	Streptomyces Lavendulae	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Oscillatoria Sp.	n/a	n/a	no
Prokaryota	Oscillatoria Chalybea	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Actinobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Streptomyces Alboflavus	Gause's synthetic medium	Headspace, solid-phase microextraction	no
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Prokaryota	Streptomyces Sp.			no
Eukaryota	Aspergillus Niger			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

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

Compound Details

Synonymous names

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)-

beta-ionone 5,6-epoxide

EINECS 245-542-0

5,6-beta-Ionone epoxide

DTXSID8051885

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

WLZ3135

ZTJZJYUGOJYHCU-UHFFFAOYSA-N

DB-282879

NS00013296

Q27159719

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

Microorganism:

Yes

IUPAC name

4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-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

208.3

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

heterocyclic compounds epoxides ketones ethers terpenes

CHEBI-ID

87546

Supernatural-ID

SN0479774

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Spirulina Platensis	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Spirulina Platensis	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no

8-methylheptadecane

Mass-Spectra

Compound Details

Synonymous names

8-Methylheptadecane

Heptadecane, 8-methyl-

13287-23-5

8-methyl-heptadecane

HEPTADECANE,8-METHYL-

8-methylhep-tadecane

NSC158665

DTXSID70303510

LMFA11000600

NSC-158665

Microorganism:

Yes

IUPAC name

8-methylheptadecane

SMILES

CCCCCCCCCC(C)CCCCCCC

Inchi

InChI=1S/C18H38/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3

Formula

C₁₈H₃₈

PubChem ID

292723

Molweight

254.5

LogP

9.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkanes saturated hydrocarbons

Supernatural-ID

SN0004217

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 118	NA	Calvo et al. 2020
Prokaryota	Bacillus Megaterium	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Putida	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	no
Prokaryota	Bacillus Megaterium	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no

7-methylheptadecane

Mass-Spectra

Compound Details

Synonymous names

7-METHYLHEPTADECANE

20959-33-5

Heptadecane, 7-methyl-

7-methyl-heptadecane

heptadecane, 7-methyl

DTXSID50943251

LMFA11000511

DB-307398

Microorganism:

Yes

IUPAC name

7-methylheptadecane

SMILES

CCCCCCCCCCC(C)CCCCCC

Inchi

InChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3

Formula

C₁₈H₃₈

PubChem ID

30398

Molweight

254.5

LogP

9.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkanes saturated hydrocarbons

Supernatural-ID

SN0019353

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no

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

Mass-Spectra

Compound Details

Synonymous names

Dihydro-beta-ionone

17283-81-7

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

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

7,8-Dihydro-beta-ionone

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

FEMA No. 3626

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

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

Dihydro-b-ionone

UNII-710YK6CESE

EINECS 241-318-1

710YK6CESE

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

AI3-32482

Dihydro-.beta.-ionone

DTXSID4047200

CHEBI:18015

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

Dihydro-|A-ionone

Latia oxyluciferin

Dihydro-fA-ionone

5-Megastigmen-9-one

DIHYDRO-?-IONONE

.beta.-Ionone, dihydro-

7,8-Dehydro-beta-ionone

C03527

.beta.-7,8-Dihydroionone

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

7,8-Dihydro-.beta.-ionone

SCHEMBL441670

alpha,beta-Dihydro-beta-ionone

Dihydro-beta-ionone, >=90%

CHEMBL3188345

DTXCID2027200

Tox21_302666

MFCD00456730

AKOS015903877

DIHYDRO-.BETA.-IONONE [FHFI]

FS-4346

NCGC00256712-01

CAS-17283-81-7

CS-0153466

D5751

NS00013271

D93119

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

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

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

Q27102766

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI

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

Microorganism:

Yes

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

194.31

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

18015

Supernatural-ID

SN0307056

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

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no

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

Compound Details

Synonymous names

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

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

20013-73-4

2,6,6-trimethyl-2-cyclohexenone

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

077U78EJL5

EINECS 243-465-7

UNII-077U78EJL5

SCHEMBL2996151

DTXSID10173830

2,6,6- Trimethyl-2-cyclohexenon

BCP25842

AKOS040767336

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

2,2,6-TRIMETHYLCYCLOHEX-5-ENONE

DB-239557

NS00021814

Q27236270

2,6,6-Trimethyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-one, 2,6,6-trimethyl-

2,6,6-Trimethyl-2-cyclohexen-1-one; 2-Cyclohexen-1-one, 2,6,6-trimethyl-; 2,6,6-Trimethyl-2-cyclohexen-1-one; 2,2,6-Trimethylcyclohex-5-enone; 2,6,6-Trimethyl-2

Microorganism:

Yes

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

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkenes ketones

Supernatural-ID

SN0240569

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no

Heptadecane

Mass-Spectra

Compound Details

Synonymous names

HEPTADECANE

n-Heptadecane

629-78-7

Heptadekan

n-Heptadecane (d36)

H7C0J39XUM

DTXSID7047061

CHEBI:16148

MFCD00009002

NSC-172782

Hexadecane, methyl-

Heptadecane, analytical standard

EINECS 211-108-4

UNII-H7C0J39XUM

NSC 172782

BRN 1738898

AI3-36898

Heptadecane purum

Normal-heptadecane

PJ8

Heptadecane, 99%

Analytical Reagent,95.0%

4-01-00-00548 (Beilstein Handbook Reference)

CHEMBL3185332

DTXCID5027061

Samarium(III)ChlorideHexahydrate

HSDB 8347

CH3-[CH2]15-CH3

Tox21_302278

LMFA11000003

NSC172782

STL355860

AKOS000487450

MCULE-3718944215

Heptadecane, purum, >=98.0% (GC)

NCGC00256101-01

AS-56326

CAS-629-78-7

DB-054356

CS-0197341

H0023

NS00012511

C01816

D97702

Heptadecane; NSC 172782; TS 7; n-Heptadecane

Q150888

43B472DE-3A6B-4855-8457-9D679B0D1C87

InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H

Microorganism:

Yes

IUPAC name

heptadecane

SMILES

CCCCCCCCCCCCCCCCC

Inchi

InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

Formula

C₁₇H₃₆

PubChem ID

12398

Molweight

240.5

LogP

8.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

saturated hydrocarbons alkanes

CHEBI-ID

16148

Supernatural-ID

SN0242409

mVOC Specific Details

Boiling Point

Degree	Reference
303 °C peer reviewed

Volatilization

The Henry's Law constant for heptadecane is estimated as 3.1X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 2.28X10-4 mm Hg(1), and water solubility, 2.3X10-3 mg/L(2). This Henry's Law constant indicates that heptadecane is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(4) is estimated as 1.6 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)(4) is estimated as 6.2 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Heptadecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) WakehamSG et al; Canadian J Fish Aquat Sci 40: 304-21 (1983) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (5) US EPA; EXAMS II Computer Simulation (1987)

Solubility

In water, 2.3X10-3 mg/L at 25 deg C
Literature: Wakeham SG ET al; Canadian J Fish Aqua Sci 40: 304-21 (1983)
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-388
Literature: #Slightly soluble in ethanol, carbon tetrachloride; soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-288

Soil Adsorption

The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil.
Literature: (1) Wakeham SG et al; Canadian J Fish Aqua Sc 40: 304-21 (1983) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.28X10-4 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

MS-Links

MS-MS Spectrum 58342

MS-MS Spectrum 114255

MS-MS Spectrum 114256

MS-MS Spectrum 114257

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006886

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007691

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012167

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS111001

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Pseudomonas Fluorescens	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Fluorescens	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Putida	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Rhodesiae	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Rhodesiae	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Taiwanensis	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Bacillus Megaterium	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Brassicacearum	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Putida	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Prokaryota	Enterobacter Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Pantoea Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Pseudomonas Sp.	NA	NA	Etminani et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Fluorescens	NB	GS-MS	no
Prokaryota	Pseudomonas Fluorescens	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Putida	NB	GS-MS	no
Prokaryota	Pseudomonas Rhodesiae	NB	GS-MS	no
Prokaryota	Pseudomonas Rhodesiae	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Taiwanensis	MR-VP broth	GS-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Bacillus Megaterium	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Solvent extraction with dichloro methane, GC/MS	no
Prokaryota	Enterobacter Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Pantoea Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Pseudomonas Sp.	nutrient agar (NA)	GC–MS	no

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names

1-OCTEN-3-OL

3391-86-4

Oct-1-en-3-ol

1-Vinylhexanol

Vinyl amyl carbinol

3-Hydroxy-1-octene

Amyl vinyl carbinol

Mushroom alcohol

Pentyl vinyl carbinol

Octen-3-ol

Matsuica alcohol

Vinyl hexanol

Pentylvinylcarbinol

octene-1-ol-3

Oct-1-ene-3-ol

(+/-)-1-octen-3-ol

Matsutake alcohol

1-Okten-3-ol

FEMA No. 2805

n-Oct-1-en-3-ol

NSC 87563

(R)-1-octen-3-ol

WXB511GE38

DTXSID3035214

CHEBI:34118

MFCD00004589

NSC-87563

Amylvinylcarbinol

Morrilol

1-Okten-3-ol [Czech]

1-Octen-3-ol (natural)

Matsutake alcohol [Japanese]

1-Octene-3-ol

dl-1-Octen-3-ol

EINECS 222-226-0

EPA Pesticide Chemical Code 069037

BRN 1744110

UNII-WXB511GE38

Morillol

AI3-28627

CCRIS 8804

Matsuika alcohol

MOGUCHUN

Vinyl pentyl carbinol

(E)-1-octen-3-ol

Flowtron mosquito attractant

SCHEMBL41968

1-Octen-3-ol, 98%

WLN: QY5&1U1

CHEMBL3183573

DTXCID1015214

1-OCTEN-3-OL [FCC]

1-OCTEN-3-OL [FHFI]

1-Octen-3-ol, analytical standard

BCP19092

NSC87563

Tox21_302039

LMFA05000090

LMFA05000712

AKOS009157412

CS-W011126

DS-8600

NCGC00255686-01

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

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

PD042153

CAS-3391-86-4

DB-003193

NS00004677

O0159

1-Octen-3-ol stabilized with alpha-tocopherol

4-(Trifluoromethyl)-2-biphenyl-carboxylic acid

D91822

EN300-6981750

A821997

Q161667

Q-100412

Microorganism:

Yes

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

128.21

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

34118

Supernatural-ID

SN0398887

mVOC Specific Details

Boiling Point

Degree	Reference
84 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008207

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Lactobacillus Plantarum		NA	Yang et al. 2022
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Chaetomium Globosum		wild strains	Schleibinger et al. 2005
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Eukaryota	Agaricus Bisporus		culture collection,Mushroom Test and Demonstration Facility (MTDF),Pennsylvania State University Campus	Mau et al. 1992
Eukaryota	Penicillium Glabrum		NA	Schnürer et al. 1999
Eukaryota	Penicillium Verrucosum		NA	Schnürer et al. 1999
Eukaryota	Fusarium Verticillioides		NA	Usseglio et al. 2017
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Rhizoctonia Solani	directional root growth of Brassica rapa roots	NA	Moisan et al. 2021
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al. 2012
Eukaryota	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Neurospora Sp.	n/a	NA	Pastore et al. 1994
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Aspergillus Niger	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Agaricus Bisporus	n/a	NA	Berendsen et al. 2013
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Neurospora Sitophila	n/a	NA	Pastore et al. 1994
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Ornatus	n/a	NA	Meruva et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Versicolor		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Coriolus Versicolor		colonized beetle	Guevara et al. 2000
Eukaryota	Ganoderma Adspersum		colonized beetle	Guevara et al. 2000
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Eukaryota	Tricholoma Matsutake		NA	Murahashi S. 1938
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Lentinus Edodes		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Boletus Edulis		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Tuber Indicum		Piedmont northern Italy; Yunnan and Sichuan, China	Splivallo et al. 2007
Eukaryota	Fistulina Hepatica		NA	Wu et al. 2005
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Aspergillus Flavus		Japan Collection of Microorganisms at Riken Bioresource Center	Miyamoto et al. 2014
Eukaryota	Penicillium Sp.		NA	Kaminski et al. 1974
Eukaryota	Fusarium Sp.		NA	Savel’eva et al. 2014
Eukaryota	Verticillium Sp.		NA	Bengtsson et al. 1991
Eukaryota	Trichoderma Sp.		NA	Nemcovic et al. 2008
Eukaryota	Penicillium Polonicum		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Gloeophyllum Odoratum	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Aspergillus Sydowii	na	na	Steiner et al. 2007
Eukaryota	Aspergillus Versicolor	na	na	Steiner et al. 2007
Eukaryota	Penicillium Sp.	n/a	NA	Bjurman et al. 1997
Eukaryota	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
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Eukaryota	Agaricus Bisporus		Sylvan, UK	Combet et al. 2009
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Brettanomyces Bruxellensis	NA	NA	Tran et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Loulier et al. 2020
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
Eukaryota	Lentinula Edodes			Geng et al. 2024
Prokaryota	Microbacterium			Ballot et al. 2023
Prokaryota	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian aerated	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole GC-MS	no
Eukaryota	Aspergillus Versicolor	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Chaetomium Globosum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Virens	PDA plate	SPME-GC-MS	no
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Virens	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Agaricus Bisporus	traditional horse manure-based compost	GC	yes
Eukaryota	Penicillium Glabrum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Verrucosum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Fusarium Verticillioides	Czapek-dox agar	SPME, GC-MS	yes
Prokaryota	Paenibacillus Polymyxa	TSA media	HS-SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Rhizoctonia Solani	1/5th PDA medium	GC-MS	no
Eukaryota	Chaetomium Indicum	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Tuber Magnatum		GC-MS-O	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
Prokaryota	Serratia Proteamaculans	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Uncinatum	n/a	SPME-GC-MS	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Eukaryota	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Aspergillus Niger	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Agaricus Bisporus			no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Neurospora Sitophila	Malt extract	Headspace/gas chromatography	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Aspergillus Flavus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Parasiticus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Niger	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Penicillium Glabrum	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Rhizopus Stolonifer	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Versicolor	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Coriolus Versicolor		steam destillation, GC-MS	no
Eukaryota	Ganoderma Adspersum		steam destillation, GC-M	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Eukaryota	Tricholoma Matsutake			no
Eukaryota	Pleurotus Ostreatus			no
Eukaryota	Lentinus Edodes			no
Eukaryota	Boletus Edulis			no
Eukaryota	Tuber Indicum		GC-MS	yes
Eukaryota	Fistulina Hepatica		HRGC-MS,; DB5;ZB Wax	no
Eukaryota	Fomes Fomentarius			no
Eukaryota	Aspergillus Flavus	glucose minimal medium	SPME; GC-MS	no
Eukaryota	Penicillium Sp.		gas-liquid chromatography	no
Eukaryota	Fusarium Sp.			no
Eukaryota	Verticillium Sp.			no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Penicillium Polonicum	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS	no
Eukaryota	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Gloeophyllum Odoratum	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Aspergillus Sydowii	na	GC/MS	no
Eukaryota	Aspergillus Versicolor	na	GC/MS	no
Eukaryota	Penicillium Sp.	n/a	n/a	no
Eukaryota	Tuber Borchii	na	SPME-GC/MS/O); GC-R	yes
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	yes
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar7	Tenax TA / TDGC-MS	yes
Eukaryota	Agaricus Bisporus	comkposted wheat straw	GC-MS / SPME	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Brettanomyces Bruxellensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Hanseniaspora Valbyensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
Prokaryota	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
Prokaryota	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

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

Compound Details

Synonymous names

1,5-octadien-3-ol

Octa-1,5-dien-3-ol

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

50306-14-4

1,5E-Octadien-3-ol

83861-74-9

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

TE91VW9O5A

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

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

Fema No. 4732, (E)-

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

UNII-KI2TJG39HP

1,5Z-Octadien-3R-ol

KI2TJG39HP

Fema No. 4732

UNII-TE91VW9O5A

SCHEMBL309356

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

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

CHEBI:172005

DTXSID401314159

LMFA05000488

Microorganism:

Yes

IUPAC name

(5E)-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

6428570

Molweight

126.2

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

172005

Supernatural-ID

SN0011632-01

mVOC Specific Details

Boiling Point

Degree	Reference
185 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no

Octanal

Mass-Spectra

Compound Details

Synonymous names

Octanal

124-13-0

Caprylaldehyde

Caprylic aldehyde

n-Octanal

1-octanal

n-Octyl aldehyde

n-Octaldehyde

n-Caprylaldehyde

Octanaldehyde

n-Octanaldehyde

Octyl aldehyde

n-Octylal

Aldehyde C-8

Octanoic aldehyde

C-8 aldehyde

Octaldehyde

OCTYLALDEHYDE

1-Octylaldehyde

1-Octaldehyde

1-Caprylaldehyde

Aldehyde C8

Antifoam-LF

Oktylaldehyd

Oktanal

Octanal, tech.

Caprylaldehyd

FEMA No. 2797

Kaprylaldehyd

Octylaldehyd

NSC 1508

ALDEHIDO C-8

MFCD00007029

CHEMBL18407

DTXSID3021643

CHEBI:17935

Albumin tannate

NSC1508

XGE9999H19

NSC-1508

NSC-8969

WLN: VH7

Octanal (natural)

DTXCID701643

Octyl aldehydes

CAS-124-13-0

HSDB 5147

EINECS 204-683-8

BRN 1744086

n-octylaldehyde

Capryl aldehyde

UNII-XGE9999H19

AI3-03961

n -octanal

octan-1-one

octan-8-one

OYA

Octanal, 99%

OCTANAL [FCC]

N-OCTANAL [FHFI]

bmse000851

EC 204-683-8

Octanal, analytical standard

OCTYLALDEHYDE [HSDB]

SCHEMBL28601

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

CAPRYLIC ALDEHYDE [MI]

QSPL 183

OCTANAL (ALDEHYDE C-8)

NSC8969

Octanal, >=95%, FCC, FG

HY-N8015

STR04459

Tox21_201415

Tox21_300337

BDBM50028817

LMFA06000028

AKOS009031567

MCULE-7111365457

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

NCGC00247997-01

NCGC00247997-02

NCGC00254427-01

NCGC00258966-01

CS-0138976

NS00009660

O0044

EN300-19768

C01545

G73533

Q416673

J-660019

Q-200605

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

27457-18-7

Microorganism:

Yes

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

128.21

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

17935

Supernatural-ID

SN0255510

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001483

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008682

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008766

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009326

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Eukaryota	Pythium Oligandrum	Strong inhibition of growth of plant pathogen Pythium myriotylum;	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Serratia Fonticola	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Eukaryota	Mrakia Gelida	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Prokaryota	Lactobacillus Rhamnosus	na	Domiati cheese	Pogačić et al. 2016
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Eukaryota	Meyerozyma Guilliermondii			Xiong et al. 2023
Eukaryota	Debaryomyces Hansenii			Li et al. 2023
Eukaryota	Saccharomyces Cerevisiae			Peng et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Serratia Fonticola	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Mrakia Gelida	artificial nectar media	GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Eukaryota	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
Eukaryota	Debaryomyces Hansenii	meat with coconut oil	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no

Decanal

Mass-Spectra

Compound Details

Synonymous names

Decanal

Decyl aldehyde

112-31-2

Caprinaldehyde

Capraldehyde

Decanaldehyde

n-Decyl aldehyde

Capric aldehyde

1-Decanal

DECALDEHYDE

n-Decanal

n-Decaldehyde

1-Decyl aldehyde

Aldehyde C10

Decylic aldehyde

Caprinic aldehyde

C-10 aldehyde

Decanal (natural)

FEMA No. 2362

Aldehyde C-10

NSC 6087

HSDB 288

EINECS 203-957-4

UNII-31Z90Q7KQJ

BRN 1362530

31Z90Q7KQJ

DTXSID4021553

CHEBI:31457

AI3-04860

NSC-6087

DTXCID801553

NSC6087

EC 203-957-4

MFCD00007031

112-81-2

DECANAL [FHFI]

DECANAL [INCI]

DECANAL [FCC]

DECALDEHYDE [HSDB]

SCHEMBL2540

WLN: VH9

Decanal, analytical standard

N-decanal (capric aldehyde)

decanal (ACD/Name 4.0)

CHEMBL2228377

KSMVZQYAVGTKIV-UHFFFAOYSA-

Decanal, natural, >=97%, FG

Decanal, >=95%, FCC, FG

Decanal, >=98% (GC), liquid

Tox21_302656

LMFA06000052

s5376

AKOS000120018

CCG-266266

CS-W013286

HY-W012570

NCGC00256769-01

CAS-112-31-2

LS-13888

DB-041074

D0032

NS00003646

EN300-20146

F85622

A802551

Q903525

J-002749

Z104477054

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

Microorganism:

Yes

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

156.26

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

31457

Supernatural-ID

SN0194238

mVOC Specific Details

Boiling Point

Degree	Reference
212 °C peer reviewed

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001485

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008687

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008768

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009328

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Acinetobacter Baumannii	NA	NA	Gao et al. 2016
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Pseudomonas Azotoformans	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Paenibacillus Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Eukaryota	Saccharomyces Cerevisiae			Qin et al. 2024
Prokaryota	Bacillus Thuringiensis			Koilybayeva et al. 2023
Prokaryota	Bacillus Cereus			Koilybayeva et al. 2023
Prokaryota	Enterobacter Agglomerans			Tallon et al. 2023
Prokaryota	Enterobacter Cloacae			Tallon et al. 2023
Prokaryota	Klebsiella Oxytoca			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Acinetobacter Baumannii	BacT/ALERT SA	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Pseudomonas Azotoformans	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Prokaryota	Burkholderia Hospita	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract/Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Paenibacillus Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
Prokaryota	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
Prokaryota	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
Prokaryota	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
Prokaryota	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
Prokaryota	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no

Nonanal

Mass-Spectra

Compound Details

Synonymous names

NONANAL

124-19-6

1-Nonanal

Pelargonaldehyde

Nonanaldehyde

Nonyl aldehyde

Nonaldehyde

n-Nonaldehyde

Nonylic aldehyde

n-Nonanal

Nonylaldehyde

Pelargonic aldehyde

1-Nonaldehyde

Nonanoic aldehyde

Aldehyde C-9

1-Nonyl aldehyde

C-9 aldehyde

n-Nonylaldehyde

Nonoic aldehyde

NONYL ALDEHYDE,N-

FEMA No. 2782

NCI-C61018

NSC 5518

CCRIS 664

HSDB 7229

UNII-2L2WBY9K6T

EINECS 204-688-5

2L2WBY9K6T

BRN 1236701

DTXSID9021639

CHEBI:84268

AI3-04859

C9 ALDEHYDE

NSC-5518

MFCD00007030

DTXCID801639

NSC5518

EC 204-688-5

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

Aldehyde C9

75718-12-6

n-NONYL ALDEHYDE

non-aldehyde

?1-Nonanal

n-Nonan-1-al

C9-11 Aldehydes

C9-11-Aldehydes

Nonyl aldehyde, n-

Nonanal, 95%

NONANAL [HSDB]

NONANAL [FCC]

N-NONANAL [FHFI]

WLN: VH8

Nonanal, analytical standard

SCHEMBL22860

Nonanal, >=95%, FCC

QSPL 015

SCHEMBL8876408

CHEMBL2228376

Nonanal, natural, >=98%, FG

AMY15728

HY-N8016

EINECS 278-296-8

Tox21_303603

LMFA06000040

AKOS009158987

FS-3913

NCGC00257442-01

BP-31179

CAS-124-19-6

SY016777

DB-041769

CS-0138979

N0296

NS00008804

Aldehyde C9, Nonyl aldehyde, Pelargonaldehyde

EN300-135251

Q419668

J-005053

Microorganism:

Yes

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

142.24

LogP

3.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

84268

Supernatural-ID

SN0118568

mVOC Specific Details

Boiling Point

Degree	Reference
195 °C peer reviewed

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

Massbank-Links

Massbank Spectrum MSBNK-Athens_Univ-AU503001

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001484

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008211

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008685

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008767

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009327

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Kunze et al. 2013
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Kunze et al. 2013
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Prokaryota	Pseudomonas Azotoformans	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Gelida	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Puccinia Graminis	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Prokaryota	Chondromyces Crocatus	Active against the phytopathogenic fungus Sclerotinia sclerotiorum	NA	Schulz and Dickschat 2007
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	n/a	NA	Fernando et al. 2005
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Lactobacillus Paracasei	na	Majorero cheese	Pogačić et al. 2016
Prokaryota	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Paenibacillus Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Meyerozyma Guilliermondii			Xiong et al. 2023
Eukaryota	Saccharomyces Cerevisiae			Qin et al. 2024
Prokaryota	Bacillus Toyonensis			Koilybayeva et al. 2023
Prokaryota	Lactobacillus Plantarum			Ma et al. 2023
Eukaryota	Saccharomyces Cerevisiae			Peng et al. 2023
Prokaryota	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	LB	MCC-IMS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Prokaryota	Pseudomonas Azotoformans	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Gelida	artificial nectar media	GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Puccinia Graminis	n/a	n/a	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Low medium	GC/MS	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Lactobacillus Paracasei	curd-based broth medium	GC/MS	yes
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Paenibacillus Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
Eukaryota	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
Prokaryota	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
Prokaryota	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
Eukaryota	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
Prokaryota	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

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

Mass-Spectra

Compound Details

Synonymous names

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

2,4-HEPTADIENAL

trans,trans-2,4-Heptadienal

4313-03-5

Trans-2-trans-4-Heptadienal

5910-85-0

(E,E)-2,4-Heptadienal

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

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

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

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

FEMA No. 3164

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

trans |trans|-24-Heptandienal

2,4-Heptadien-1-al

VY79R3SU8X

trans,trans-Hepta-2,4-dienal

2,4-Heptdienal

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

BRN 1739522

EINECS 227-627-4

EINECS 224-328-0

starbld0000834

UNII-VY79R3SU8X

2,4-(E,E)-Heptadienal

(e, e)-2,4-heptadienal

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

SCHEMBL231267

SCHEMBL231268

trans, trans-2,4-Heptandienal

CHEMBL2269080

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

2,4-HEPTADIENAL [FHFI]

DTXSID60872846

CHEBI:132837

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

ALL-TRANS-2,4-HEPTADIENAL

LMFA06000024

MFCD00007005

(E),(E)-2,4-HEPTADIENAL

AKOS015900514

CS-W013668

HY-W012952

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

2,4-Heptadienal, technical grade, 90%

BS-16809

LS-13292

(E),(E)-2,4-HEPTADIENAL [FCC]

DB-003790

H0681

NS00012512

EN300-1829152

A826167

Q-100006

Q27292092

trans,trans-2,4-Heptadienal (Technical Grade, 90%)

trans,trans-2,4-Heptadienal (Technical Grade, 90per cent)

Microorganism:

Yes

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

110.15

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

132837

Supernatural-ID

SN0340411-05

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008208

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trametes Gibbosa		NA	Thakeow et al. 2008
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Bacillus Subtilis	n/a	NA	Wei-wei et al. 2008
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cyberlindnera Fabianii			Ma et al. 2023
Prokaryota	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trametes Gibbosa			no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

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

Mass-Spectra

Compound Details

Synonymous names

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

2,4-Octadienal

30361-28-5

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

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

5577-44-6

Octadienal

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

2,4-Octadien-1-al

trans,trans-Octa-2,4-dienal

(E,E)-2,4-octadienal

Octa-2,4-dienal

trans,trans-2,4-Octadienal

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

2e,4e-octadienal

FEMA No. 3721

PR4J26TQJD

38743-20-3

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

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

2,4-Octadienal, trans,trans-

2.4-Octadienal

UNII-PR4J26TQJD

MFCD00014676

EINECS 250-147-1

SCHEMBL225645

SCHEMBL225646

FEMA 3721

DTXSID00885475

CHEBI:165523

DVVATNQISMINCX-UHFFFAOYSA-N

LMFA06000034

AKOS015899862

2,4-OCTADIEN-1-AL, (E,E)-

DS-18477

DB-003127

TRANS,TRANS-2,4-OCTADIENAL [FHFI]

CS-0186044

NS00050348

D71091

EN300-1867374

EN300-7380375

A820344

A830802

Q27286719

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

2,4-Octadienal, predominantly trans,trans (Technical Grade)

Microorganism:

Yes

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

124.18

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

165523

Supernatural-ID

SN0076855-01

mVOC Specific Details

Boiling Point

Degree	Reference
67 median

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

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no

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

Mass-Spectra

Compound Details

Synonymous names

trans,trans-2,4-Nonadienal

5910-87-2

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

2,4-NONADIENAL

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

6750-03-4

Nonadienal

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

2,4-trans,trans-Nonadienal

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

Nona-2,4-dien-1-al

2,4-Nonadien-1-al

FEMA No. 3212

trans,trans-2,4-Nonadienal-D2

Y411G77SH7

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

trans,trans-Nona-2,4-dienal

UNII-Y411G77SH7

MFCD00007006

EINECS 227-629-5

EINECS 250-233-9

trans-trans-2,4-nonadienal

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

SCHEMBL230877

SCHEMBL230878

CHEMBL4074177

2,4-NONADIENAL [FHFI]

DTXSID30884198

EINECS 229-810-4

(E),(E)-2,4-NONADIENAL

LMFA06000045

AKOS015900515

2,4-NONADIENAL, TRANS,TRANS-

HY-W127521

trans,trans-2,4-Nonadienal (>90%)

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

AS-83739

(E),(E)-2,4-NONADIENAL [FCC]

AI3-37786

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

CS-0185748

N0521

NS00013027

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

A832160

Q-100683

Q27294239

Microorganism:

Yes

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

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

89743

Supernatural-ID

SN0470381-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	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
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Prokaryota	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Indicum			yes
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Prokaryota	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

(E)-dec-2-enal

Mass-Spectra

Compound Details

Synonymous names

trans-2-Decenal

(E)-Dec-2-enal

3913-81-3

decenal

2-DECENAL

(E)-2-Decenal

3-Heptylacrolein

2-Decenal, (2E)-

Decenaldehyde

2-Decen-1-al

(2E)-2-Decenal

Decylenic aldehyde

2-Decenal, (E)-

3913-71-1

trans-Dec-2-enal

(2E)-decenal

FEMA No. 2366

25447-70-5

TRANS-2-DECEN-1-AL

E93S23U2BU

DTXSID5047035

TRANS-2-DECEN-1-AL 10% IN ETHANOL

MFCD00014679

2-decenaldehyde

3-heptyl-acrolein

EINECS 223-472-1

NSC 20747

CHEBI:61727

UNII-E93S23U2BU

AI3-36267

NSC-20747

?3-Heptylacrolein

2(e)-decenal

EINECS 223-474-2

dec-(e)-2-enal

Dec-2(E)-enal

(2E)-dec-2-enal

Dec-2-enal, (E)

trans-2-Decenyl Aldehyde

(2E)-2-Decenal #

t-2-DCA

(E)-dec-2-en-1-al

2-DECENAL [FHFI]

DECENALDEHYDE, TRANS-

SCHEMBL872778

CHEMBL507518

trans-2-Decen-1-al,>93%

DTXCID3027035

(E)-2-DECENAL [FCC]

FEMA 2366

CHEBI:133455

Tox21_302302

LMFA06000053

trans-2-Decenal, analytical standard

AKOS015839092

CS-W016267

HY-W015551

trans-2-Decenal, >=95.0% (GC)

trans-2-Decenal, >=95%, FCC, FG

NCGC00256196-01

AS-44363

LS-13867

CAS-3913-81-3

DB-372104

D1406

D1642

NS00012195

A873709

Q27277030

trans-2-Decen-1-al (contaisn trans-2-decen-1-al diethyl acetal) (10% in ethanol); trans-2-Decenal

Microorganism:

Yes

IUPAC name

(E)-dec-2-enal

SMILES

CCCCCCCC=CC=O

Inchi

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+

Formula

C₁₀H₁₈O

PubChem ID

5283345

Molweight

154.25

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

61727

Supernatural-ID

SN0229386-01

mVOC Specific Details

Boiling Point

Degree	Reference
78 median

MS-Links

MS-MS Spectrum 111930

MS-MS Spectrum 111931

MS-MS Spectrum 111932

MS-MS Spectrum 49968

MS-MS Spectrum 49969

MS-MS Spectrum 49970

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008686

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Prokaryota	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

Results for: Species: Calothrix parietina Signature

2,6,6-trimethylcyclohexene-1-carbaldehyde

Compound Details

mVOC Specific Details

Heptadec-1-ene

Compound Details

mVOC Specific Details

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

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

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

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

8-methylheptadecane

Compound Details

mVOC Specific Details

7-methylheptadecane

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

Heptadecane

Compound Details

mVOC Specific Details

Oct-1-en-3-ol

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

Octanal

Compound Details

mVOC Specific Details

Decanal

Compound Details

mVOC Specific Details

Nonanal

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

(E)-dec-2-enal

Compound Details

mVOC Specific Details

Results for:
Species: Calothrix parietina

Signature