Results for:
chemical Classification: benzaldehydes

2,4-dimethylbenzaldehyde

Compound Details

Synonymous names

2,4-Dimethylbenzaldehyde

15764-16-6

Benzaldehyde, 2,4-dimethyl-

2,4-dimethyl benzaldehyde

2,4-Xylylaldehyde

1-Formyl-2,4-dimethylbenzene

2,4-Dimethylbenzenecarboxaldehyde

2,4-dimethyl-benzaldehyde

FEMA No. 3427

m-Xylene-4-carboxaldehyde

I06YU18H4A

MFCD00003340

UNII-I06YU18H4A

m-Xylylaldehyde

2,4-TRIMETHYL BENZALDEHYDE

EINECS 239-856-7

2,3-Dimethybenzaldehyde

SCHEMBL95501

FEMA 3427

DTXSID60166297

CHEBI:178624

2,4-Dimethylbenzaldehyde, >=90%

AMY37066

NSC804813

STL185603

AKOS000120288

AC-3324

CS-W011068

MCULE-1493561781

NSC-804813

2,4-DIMETHYLBENZALDEHYDE [FHFI]

DS-15791

SY004505

DB-023755

D2392

NS00018667

EN300-20657

2,4-Dimethylbenzaldehyde, technical grade, 90%

A809861

2,4-Xylylaldehyde; 1-Formyl-2,4-dimethyl benzene

W-108000

Q27280189

2,4-Dimethylbenzaldehyde, Vetec(TM) reagent grade, 95%

Z104479608

InChI=1/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H

Microorganism:

Yes

IUPAC name

2,4-dimethylbenzaldehyde

SMILES

CC1=CC(=C(C=C1)C=O)C

Inchi

InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3

Formula

C₉H₁₀O

PubChem ID

61814

Molweight

134.17

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzaldehydes aromatic aldehydes aldehydes benzenoids

CHEBI-ID

178624

Supernatural-ID

SN0106846

mVOC Specific Details

Boiling Point

Degree	Reference
102.5 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
	Lactiplantibacillus Plantarum			Chen et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no

2-aminobenzaldehyde

Compound Details

Synonymous names

2-Aminobenzaldehyde

529-23-7

o-Aminobenzaldehyde

Anthranilaldehyde

Benzaldehyde, 2-amino-

2-amino-benzaldehyde

O-amino benzaldehyde

MFCD00007709

EG769PG2AX

aminobenzaldehyde

2-Formylaniline

anthranil aldehyde

EINECS 208-454-3

m-Amino benzaldehyde

Ortho aminobenzaldehyde

AI3-52264

UNII-EG769PG2AX

2-ABA

SCHEMBL25505

2-Aminobenzaldehyde, >=98%

ghl.PD_Mitscher_leg0.1278

DTXSID6060183

SCHEMBL14562109

FXWFZIRWWNPPOV-UHFFFAOYSA-

AMY4000

BCP07330

BBL100092

STL280125

AKOS006221234

CS-W007486

GS-3280

MCULE-3748234668

SY024955

DB-005184

NS00032615

EN300-118143

10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1

doi:10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1

J-508021

Q21099244

2-Formylaniline, Anthranilaldehyde, o-Aminobenzaldehyde

Z3034936011

InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2

Microorganism:

Yes

IUPAC name

2-aminobenzaldehyde

SMILES

C1=CC=C(C(=C1)C=O)N

Inchi

InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2

Formula

C₇H₇NO

PubChem ID

68255

Molweight

121.14

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzaldehydes aldehydes nitrogen compounds amines aromatic aldehydes

Supernatural-ID

SN0098439

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_6

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no

4-hydroxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names

4-hydroxybenzaldehyde

p-Hydroxybenzaldehyde

123-08-0

4-Formylphenol

p-Formylphenol

Benzaldehyde, 4-hydroxy-

p-Oxybenzaldehyde

Parahydroxybenzaldehyde

4-Hydroxy benzaldehyde

Benzaldehyde, p-hydroxy-

4-HYDROXY-BENZALDEHYDE

USAF M-6

MFCD00006939

NSC 2127

p-Hydroxy-benzaldehyde

Para-Hydroxybenzaldehyde

4-Hydroxybenzenecarbonal

4-Hydroxybenzaldehyde-d5

CHEMBL14193

65581-83-1

CHEBI:17597

NSC-2127

O1738X3Y38

4-formyl phenol

EINECS 204-599-1

BRN 0471352

AI3-15366

CCRIS 8911

PARA-HYDROXY BENZALDEHYDE

4-formyl-phenol

UNII-O1738X3Y38

4hydroxybenzaldehyde

p-hydroxibezaldehyde

p-hydroxybenzaldehye

4-Hydroxybenzaldehyde; Bisoprolol Fumarate Imp. S (EP); Bisoprolol Imp. S (EP); Bisoprolol Fumarate Impurity S; Bisoprolol Impurity S

4-hydoxybenzaldehyde

4-hydroxybenzaldehyd

4-hydroxybezaldehyde

4-Hydroxybenzaldehye

4-hydroxibenzaldehyde

4-hydroxylbenzaldehyde

p-hydroxy benzaldehyde

4--hydroxybenzaldehyde

p-hydroxyl benzaldehyde

4-hydroxyl benzaldehyde

4-hydroxy- benzaldehyde

PYRILAMINE_met038

WLN: VHR DQ

bmse000259

bmse000582

bmse010005

SCHEMBL37193

4-Hydroxybenzaldehyde, 98%

4-08-00-00251 (Beilstein Handbook Reference)

BIDD:ER0339

p-Hydroxybenzaldehyde, Pract.

4-Hydroxybenzaldehyde, >=97%

DTXSID8059552

FEMA NO. 3984

HYDROXYBENZALDEHYDE [INCI]

NSC2127

1k03

P-HYDROXYBENZALDEHYDE [MI]

BCP26952

CS-D1179

HY-Y0313

STR00705

4-HYDROXYBENZALDEHYDE [FHFI]

4-Hydroxybenzaldehyde, >=97%, FG

BDBM50177411

BR1235

s6008

STK188428

AKOS000119184

AC-2984

AM10667

DB03560

MCULE-3788300475

PS-3635

NCGC00188243-01

NCGC00188243-02

4-Hydroxybenzaldehyde, analytical standard

BP-30158

SY003489

4-Hydroxybenzaldehyde, >=95.0% (HPLC)

DB-003763

H0198

NS00014566

EN300-18030

A15180

C00633

H-3800

AB-131/40191192

BISOPROLOL FUMARATE IMPURITY S [EP IMPURITY]

Q1953888

4-Hydroxybenzaldehyde, Vetec(TM) reagent grade, 95%

Z57127520

F2190-0635

InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9

p-Hydroxybenzaldehyde;4-Formylphenol;p-Formylphenol;Bisoprolol Fumarate EP Impurity S

Microorganism:

Yes

IUPAC name

4-hydroxybenzaldehyde

SMILES

C1=CC(=CC=C1C=O)O

Inchi

InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

Formula

C₇H₆O₂

PubChem ID

126

Molweight

122.12

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids benzaldehydes alcohols phenols aldehydes aromatic aldehydes aromatic compounds

CHEBI-ID

17597

Supernatural-ID

SN0324542

mVOC Specific Details

Boiling Point

Degree	Reference
310 °C	PhysProp

MS-Links

MS-MS Spectrum 19320

MS-MS Spectrum 22322

MS-MS Spectrum 22323

MS-MS Spectrum 202352

MS-MS Spectrum 202351

MS-MS Spectrum 12647

1D-NMR-Links

1D NMR Spectrum 4084

1D NMR Spectrum 3819

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002063

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008441

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009557

Massbank Spectrum MSBNK-GL_Sciences_Inc-GLS00054

Massbank Spectrum MSBNK-MetaboLights-ML001651

Massbank Spectrum MSBNK-Osaka_Univ-OUF00424

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Subtilis		soil	Chen et al. 2008
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB)	activated charcoral trap	no
Eukaryota	Bjerkandera Adusta	n/a	The culture media were extracted with dichloromethane or with ethyl acetate. The solutions were dried over anhydrous sodium sulfate, and concentrated under N2 stream. The concentrates were analyzed by gas chromatography (GC)-mass spectrometry (MS)	no

Benzene-1,3-dicarbaldehyde

Compound Details

Synonymous names

Isophthalaldehyde

626-19-7

m-Phthalaldehyde

1,3-Benzenedicarboxaldehyde

Isophthaldehyde

benzene-1,3-dicarbaldehyde

1,3-benzenedialdehyde

Isophthaldialdehyde

Isophtaldehydes

Benzene-1,3-dicarboxaldehyde

Isophthalic dicarboxaldehyde

MFCD00003372

LU162B2N9X

NSC-5092

30025-33-3

Isophtaldehydes [French]

3-Phthalaldehyde

NSC 5092

EINECS 210-935-8

BRN 1561038

UNII-LU162B2N9X

isophtalaldehyde

iso-phthalaldehyde

3-formylbenzaldehyde

Isophthalaldehyde, 97%

Benzene 1,3 dicarbaldehyde

BENZENEDICARBOXALDEHYDE

4-07-00-02139 (Beilstein Handbook Reference)

SCHEMBL180566

CHEMBL2289228

HSDB 8459

DTXSID30870718

NSC5092

BCP24518

AKOS003628495

MCULE-3097604055

NCGC00188276-01

AS-10887

BP-10519

SY007029

DB-054216

AM20061091

CS-0015077

I0153

NS00042925

EN300-21269

AT-051/40181211

Isophthalaldehyde, Vetec(TM) reagent grade, 97%

J-521559

Q27283179

InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6

Microorganism:

Yes

IUPAC name

benzene-1,3-dicarbaldehyde

SMILES

C1=CC(=CC(=C1)C=O)C=O

Inchi

InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H

Formula

C₈H₆O₂

PubChem ID

34777

Molweight

134.13

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aromatic compounds benzaldehydes aldehydes benzenoids

Supernatural-ID

SN0159122

mVOC Specific Details

Boiling Point

Degree	Reference
246 °C peer reviewed

Volatilization

The Henry's Law constant for isophthalaldehyde is estimated as 3.4X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isophthalaldehyde is expected to be essentially nonvolatile from water and moist soil surfaces(2). Isophthalaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.8X10-3 mm Hg(SRC), determined from a fragment constant method(1).

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isophthalaldehyde can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that isophthalaldehyde is expected to have very high mobility in soil(SRC).

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

3-methoxy-2-trimethylsilyloxybenzaldehyde

Compound Details

Synonymous names

o-Vanillin, TMS derivative

NVFQNBMOSVRDKT-UHFFFAOYSA-N

3-methoxy-2-[(trimethylsilyl)oxy]benzaldehyde

EN300-45209690

2-Hydroxy-3-methoxybenzaldehyde, trimethylsilyl ether

Microorganism:

Yes

IUPAC name

3-methoxy-2-trimethylsilyloxybenzaldehyde

SMILES

COC1=CC=CC(=C1O[Si](C)(C)C)C=O

Inchi

InChI=1S/C11H16O3Si/c1-13-10-7-5-6-9(8-12)11(10)14-15(2,3)4/h5-8H,1-4H3

Formula

C₁₁H₁₆O₃Si

PubChem ID

91734149

Molweight

224.33

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aromatic aldehydes organosilicon compounds aldehydes benzaldehydes benzenoids

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

2-hydroxybenzaldehyde

Compound Details

Synonymous names

SALICYLALDEHYDE

2-Hydroxybenzaldehyde

90-02-8

o-Hydroxybenzaldehyde

o-Formylphenol

Salicylal

2-Formylphenol

Salicylic aldehyde

Salicyladehyde

Benzaldehyde, 2-hydroxy-

Salicylaldehyd

Salizylaldehyd

Benzaldehyde, o-hydroxy-

2-HYDROXY-BENZALDEHYDE

FEMA No. 3004

NSC 49178

CCRIS 7451

HSDB 721

salicylylaldehyde

EINECS 201-961-0

MFCD00003317

UNII-17K64GZH20

BRN 0471388

DTXSID1021792

CHEBI:16008

2-hydroxy benzaldehyde

AI3-02174

17K64GZH20

NSC-49178

CHEMBL108925

DTXCID001792

EC 201-961-0

4-08-00-00176 (Beilstein Handbook Reference)

NSC-83559

NSC-83560

NSC-83561

NSC-83562

NSC-97202

NSC-112278

Benzaldehyde, hydroxy-

salicyl aldehyde

CAS-90-02-8

27761-48-4

2-Hydroxy(formyl-~13~C)benzaldehyde

2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde

Salicylylal

28777-87-9

hydroxylbenzaldehyde

hydroxy benzaldehyde

Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity

hydroxyl benzaldehyde

2-hyroxy-benzaldehyde

2-oxidanylbenzaldehyde

o-hydroxy benzaldehyde

Salicylaldehyde, 8CI

2- hydroxybenzaldehyde

Benzaldehyde, o-hydroxy

benzaldehyde, 2-hydroxy

WLN: VHR BQ

bmse000677

SALICYLALDEHYDE [MI]

SCHEMBL15395

SALICYLALDEHYDE [FCC]

SALICYLALDEHYDE [FHFI]

SALICYLALDEHYDE [HSDB]

Salicylaldehyde, >=98%, FG

FEMA 3004

Salicylaldehyde, p.a., 99.0%

BCP31374

CS-D1188

NSC49178

Salicylaldehyde, analytical standard

Tox21_201737

Tox21_302929

BDBM50139367

NSC187662

Salicylaldehyde, reagent grade, 98%

STL194289

AKOS000119187

2-hydroxybenzaldehyde (salicylaldehyde)

MCULE-8965879140

NSC-187662

NCGC00249108-01

NCGC00256460-01

NCGC00259286-01

AS-13997

NS00013184

Salicylaldehyde, redist., >=99.0% (GC)

EN300-18033

C06202

H-3700

A843413

Q414492

Z57127523

F2190-0607

2-Hydroxybenzaldehyde;o-Hydroxybenzaldehyde;o-Formylphenol

InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9

Microorganism:

Yes

IUPAC name

2-hydroxybenzaldehyde

SMILES

C1=CC=C(C(=C1)C=O)O

Inchi

InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H

Formula

C₇H₆O₂

PubChem ID

6998

Molweight

122.12

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aldehydes aromatic compounds benzenoids benzaldehydes phenols

CHEBI-ID

16008

Supernatural-ID

SN0349719

mVOC Specific Details

Boiling Point

Degree	Reference
197 °C peer reviewed

Volatilization

The Henry's Law constant for 2-hydroxybenzaldehyde is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 5.93X10-1 mm Hg(1), and water solubility, 1.7X10+4 mg/L(2). This Henry's Law constant indicates that salicylaldehyde is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 57 days(SRC). 2-Hydroxybenzaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of salicylaldehyde from dry soil surfaces may exist(SRC) based upon a vapor pressure close to one and the compound exists as an odorous liquid under environmental conditions.

Soil Adsorption

The Koc of 2-hydroxybenzaldehyde is estimated as 73(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-hydroxybenzaldehyde is expected to have high mobility in soil.

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004125

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005646

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008920

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no

3,4-dimethoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names

3,4-Dimethoxybenzaldehyde

VERATRALDEHYDE

120-14-9

Veratric aldehyde

Methylvanillin

Benzaldehyde, 3,4-dimethoxy-

Vanillin methyl ether

Veratral

Veratrum aldehyde

Veratryl aldehyde

p-Veratric aldehyde

4-O-Methylvanillin

3,4-Dimethoxy benzaldehyde

3,4-Dimethoxybenzenecarbonal

Protocatechualdehyde dimethyl ether

Protocatechuic aldehyde dimethyl ether

3,4-DIMETHOXY-BENZALDEHYDE

Protocatechuecaldehyde dimethyl ether

MFCD00003363

NSC 24521

FEMA No. 3109

3, 4-Dimethoxybenzaldehyde

UI88P68JZD

DTXSID7026285

CHEBI:17098

NSC-8500

NSC-24521

Benzaldehyde, 3-methoxy-4-(methoxy-d3)-

Benzaldehyde,4-dimethoxy-

WLN: VHR CO1 DO1

DTXCID406285

Methyl vanillin

CAS-120-14-9

CCRIS 6285

EINECS 204-373-2

UNII-UI88P68JZD

BRN 0473899

veratrumald

ratryl aldehyde

Veratrumaldehyde

AI3-08099

FEMA 3109

3,4-dimethoxy

3,4dimethoxybenzaldehyde

3,4-dimethoxybenzaldehyde (veratraldehyde)

3,4-dimethoxybenzaldeyde

3,4 dimethoxybenzaldehyde

3,4-dimethoxybenzaidehyde

4,3-dimethoxybenzaldehyde

4,5-dimethoxybenzaldehyde

bmse010220

VERATRALDEHYDE [MI]

VERATRALDEHYDE [FCC]

SCHEMBL25202

VERATRALDEHYDE [FHFI]

Veratraldehyde, >=98%, FG

CHEMBL1088937

NSC8500

3,4-Dimethoxybenzaldehyde, 99%

HY-N1096

NSC24521

Tox21_201566

Tox21_303074

BBL010373

s3214

STK188425

AKOS000118989

CS-W019906

Dimethoxy-Benzaldehyde-O-Methylvanillin

MCULE-1202068347

NCGC00091642-01

NCGC00091642-02

NCGC00091642-03

NCGC00257217-01

NCGC00259115-01

AC-10201

AC-34441

AS-11996

SY004136

Benzaldehyde, 3,4-dimethoxy-veratraldehyde

Veratraldehyde (3,4-Dimethoxybenzaldehyde)

DB-014213

AM20050100

D0507

NS00013328

EN300-16145

C02201

AH-034/32845024

Q414395

W-108485

Z53837671

F2190-0618

VERAPAMIL HYDROCHLORIDE IMPURITY G [EP IMPURITY]

InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H

Microorganism:

IUPAC name

3,4-dimethoxybenzaldehyde

SMILES

COC1=C(C=C(C=C1)C=O)OC

Inchi

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

Formula

C₉H₁₀O₃

PubChem ID

8419

Molweight

166.17

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aromatic aldehydes aldehydes aromatic compounds benzaldehydes ethers

CHEBI-ID

17098

Supernatural-ID

SN0412195

mVOC Specific Details

Boiling Point

Degree	Reference
281 median

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Eukaryota	Bjerkandera Adusta			no

4-methoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names

4-Methoxybenzaldehyde

123-11-5

P-ANISALDEHYDE

Anisic aldehyde

Anisaldehyde

p-Methoxybenzaldehyde

Aubepine

4-Anisaldehyde

Benzaldehyde, 4-methoxy-

p-Formylanisole

Crategine

Obepin

p-Anisic aldehyde

para-anisaldehyde

4-Methoxy-benzaldehyde

Formylanisole, p-

anisal

Caswell No. 051E

FEMA No. 2670

NSC 5590

CCRIS 821

4-methoxy benzaldehyde

MFCD00003385

para-methoxybenzaldehyde

p-Methoxybenzaldehyde (natural)

HSDB 2641

EINECS 204-602-6

UNII-9PA5V6656V

p-methoxy benzaldehyde

DTXSID2026997

AI3-00223

9PA5V6656V

NSC-5590

50984-52-6

p-Methoxybenzaldehyde-13C6

CHEMBL161598

DTXCID906997

CHEBI:28235

EC 204-602-6

P-ANISALDEHYDE (USP-RS)

P-ANISALDEHYDE [USP-RS]

p-Anisaldehyde,p-Methoxybenzaldhyde

CAS-123-11-5

MEPYRAMINE MALEATE IMPURITY P (EP IMPURITY)

MEPYRAMINE MALEATE IMPURITY P [EP IMPURITY]

anisaldehyd

Anis aldehyde

FEMA 2670

4-methoxybenzaldehye

4-methoxybezaldehyde

EINECS 256-891-3

Anisaldehyde (para)

P-Anisaldehyde,(S)

4-methoxylbenzaldehyde

p-Anisaldehyde, 8CI

4-methoxybenzylaldehyde

BRN 0471382

p-Anisaldehyde, 98%

p-Anisaldehyde, Reagent

benzaldehyde, 4-methoxy

para-methoxy benzaldehyde

4-(methyloxy)benzaldehyde

bmse010130

WLN: VHR DO1

ANISALDEHYDE [INCI]

SCHEMBL1100

P-ANISALDEHYDE [MI]

68894-36-0

MLS002152921

P-ANISALDEHYDE [HSDB]

p-Methoxybenzylidenemalonitrile

4-methoxybenzene carboxaldehyde

PARA- METHOXYBENZALDEHYDE

NSC5590

HMS3039F08

p-Anisaldehyde, analytical standard

P-METHOXYBENZALDEHYDE [FCC]

HY-Y0740

p-Anisaldehyde, natural, 98%, FG

P-METHOXYBENZALDEHYDE [FHFI]

Tox21_201943

Tox21_303331

AC7808

BDBM50139370

s5086

STL194068

AKOS000118814

CCG-214805

CS-W020189

MCULE-9537754812

p-Anisaldehyde (4-Methoxybenzaldehyde)

p-Anisaldehyde, for synthesis, 98.0%

NCGC00090807-01

NCGC00090807-02

NCGC00257076-01

NCGC00259492-01

p-Anisaldehyde, >=97.5%, FCC, FG

AC-10379

CS-11005

SMR001224521

SY001689

DB-012818

A0480

BENZALDEHYDE,4-METHOXY MFC8 H8 O2

NS00003331

EN300-16096

4-08-00-00252 (Beilstein Handbook Reference)

A805017

Q174937

Q-100105

Z53833125

F2190-0575

p-Anisaldehyde, primary pharmaceutical reference standard

p-Anisaldehyde, certified reference material, TraceCERT(R)

p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard

InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H

Microorganism:

Yes

IUPAC name

4-methoxybenzaldehyde

SMILES

COC1=CC=C(C=C1)C=O

Inchi

InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

Formula

C₈H₈O₂

PubChem ID

31244

Molweight

136.15

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aromatic aldehydes aldehydes aromatic compounds benzaldehydes ethers

CHEBI-ID

28235

Supernatural-ID

SN0478525

mVOC Specific Details

Boiling Point

Degree	Reference
255 °C peer reviewed

Volatilization

The Henry's Law constant for p-anisaldehyde is estimated as 1.4X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.29X10-2 mm Hg(1), and water solubility, 4.29X10+3 mg/L(2). This Henry's Law constant indicates that p-anisaldehyde is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 230 days(SRC). p-Anisaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Anisaldehyde has a vapor pressure of 3.29X10-2 mm Hg at 25 °C(1) and exists as a liquid under environmental conditions; therefore, p-anisaldehyde may volatilize from dry soil(SRC).

Soil Adsorption

The Koc of p-anisaldehyde is estimated as 53(SRC), using a log Kow of 1.76(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that p-anisaldehyde is expected to have high mobility in soil.

Vapor Pressure

Pressure	Reference
1 MM HG @ 73 DEG C	Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2663

MS-Links

MS-MS Spectrum 64859

MS-MS Spectrum 122133

MS-MS Spectrum 64858

MS-MS Spectrum 122134

MS-MS Spectrum 122135

MS-MS Spectrum 64857

1D-NMR-Links

1D NMR Spectrum 4085

1D NMR Spectrum 3820

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000534

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001825

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004050

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008708

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008788

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Clitocybe Odora		NA	Rapior et al. 2002
Eukaryota	Lentinellus Cochleatus		NA	Rapior et al. 2002
Eukaryota	Daedalea Juniperina	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Trametes Suaveolens		NA	Birkinshaw et al. 1945
Prokaryota	Polyporus Benzoinus		NA	Birkinshaw et al. 1952
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
	Lactobacillus Plantarum			Zhang et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Clitocybe Odora		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Lentinellus Cochleatus		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Daedalea Juniperina	n/a	n/a	no
Eukaryota	Trametes Suaveolens			no
Prokaryota	Polyporus Benzoinus			no
Eukaryota	Bjerkandera Adusta			no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no

2,5-bis(trimethylsilyloxy)benzaldehyde

Mass-Spectra

Compound Details

Synonymous names

Benzaldehyde, 2,5-bis[(trimethylsilyl)oxy]-

56114-69-3

2,5-bis(trimethylsilyloxy)benzaldehyde

OGDNDISFPNBJNB-UHFFFAOYSA-N

2,5-Dihydroxybenzaldehyde, 2TMS derivative

2,5-Bis[(trimethylsilyl)oxy]benzaldehyde #

Microorganism:

Yes

IUPAC name

2,5-bis(trimethylsilyloxy)benzaldehyde

SMILES

C[Si](C)(C)OC1=CC(=C(C=C1)O[Si](C)(C)C)C=O

Inchi

InChI=1S/C13H22O3Si2/c1-17(2,3)15-12-7-8-13(11(9-12)10-14)16-18(4,5)6/h7-10H,1-6H3

Formula

C₁₃H₂₂O₃Si₂

PubChem ID

622536

Molweight

282.48

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aldehydes aromatic compounds benzenoids benzaldehydes organosilicon compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stenotrophomonas Maltophilia	antifungal activity against Colletotrichum nymphaeae	isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province	Alijani et al. 2020
Prokaryota	Moraxella Catarrhalis		humans, respiratory infections	Abd El Qader et al. 2015
Prokaryota	Haemophilus Influenzae		humans, respiratory infections	Abd El Qader et al. 2015
Prokaryota	Legionella Pneumophila		humans, respiratory infections	Abd El Qader et al. 2015
Prokaryota	Moraxella Catarrhalis	could serve as potential biomarkers to distinguish between viruses and bacteria	NA	Abd El Qader et al. 2015
Prokaryota	Haemophilus Influenzae	could serve as potential biomarkers to distinguish between viruses and bacteria	NA	Abd El Qader et al. 2015
Prokaryota	Legionella Pneumophila	could serve as potential biomarkers to distinguish between viruses and bacteria	NA	Abd El Qader et al. 2015
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no
Prokaryota	Moraxella Catarrhalis	blood culture medium	SPME-GC-MS	no
Prokaryota	Haemophilus Influenzae	blood culture medium	SPME-GC-MS	no
Prokaryota	Legionella Pneumophila	blood culture medium	SPME-GC-MS	no
Prokaryota	Moraxella Catarrhalis	blood culture	SPME/GC-MS	no
Prokaryota	Haemophilus Influenzae	blood culture	SPME/GC-MS	no
Prokaryota	Legionella Pneumophila	blood culture	SPME/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

3,5-dichloro-4-methoxybenzaldehyde

Compound Details

Synonymous names

3,5-dichloro-4-methoxybenzaldehyde

41727-58-6

3,5-Dichloro-anisaldehyde

MFCD04070684

Benzaldehyde, 3,5-dichloro-4-methoxy-

SCHEMBL2391793

CHEBI:214425

LEEKELDJRCUBEM-UHFFFAOYSA-N

STK188427

AKOS000290660

MCULE-5459456675

AS-49512

SY029667

CS-0061916

I11115

Microorganism:

IUPAC name

3,5-dichloro-4-methoxybenzaldehyde

SMILES

COC1=C(C=C(C=C1Cl)C=O)Cl

Inchi

InChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3

Formula

C₈H₆Cl₂O₂

PubChem ID

883207

Molweight

205.03

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes ethers aldehydes benzenoids halogenated compounds aromatic compounds benzaldehydes chlorides

CHEBI-ID

214425

Supernatural-ID

SN0203027

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Anthracophyllum Discolor		NA	Schalchli et al. 2015
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Anthracophyllum Discolor			no
Eukaryota	Bjerkandera Adusta			no

(E)-3-phenylprop-2-enal

Mass-Spectra

Compound Details

Synonymous names

cinnamaldehyde

trans-Cinnamaldehyde

14371-10-9

104-55-2

Cinnamic aldehyde

Cinnamal

3-Phenylacrylaldehyde

(E)-Cinnamaldehyde

Zimtaldehyde

2-Propenal, 3-phenyl-

(2E)-3-phenylprop-2-enal

3-Phenylpropenal

Phenylacrolein

trans-Cinnamic aldehyde

Cinnamylaldehyde

(E)-3-phenylprop-2-enal

(E)-3-Phenylpropenal

(E)-3-Phenyl-2-propenal

2-propenal, 3-phenyl-, (2E)-

Cassia aldehyde

3-Phenylacrolein

3-phenylprop-2-enal

Cinnemaldehyde

Cinnamyl aldehyde

Abion CA

Cinnamaldehyde, (E)-

trans-Cinnamylaldehyde

Benzylideneacetaldehyde

beta-Phenylcrolein

3-Phenyl-2-propenal

3-Phenyl-2-propenaldehyde

Acrolein, 3-phenyl-

3-Fenylpropenal

FEMA No. 2286

3-Phenyl-2-propen-1-al

trans-3-Phenyl-2-propenal

(E)-Cinnamic aldehyde

NCI-C56111

2-Propenal, 3-phenyl-, (E)-

(2E)-3-phenylacrylaldehyde

.beta.-phenylacrolein

CHEBI:16731

Cinnamaldehyde, trans-

(E)-3-Phenyl-propenal

MFCD00007000

NSC-16935

NSC-40346

SR60A3XG0F

(3E)-3-phenylprop-2-enal

(2E)-3-Phenyl-2-propenal

CHEMBL293492

Aldehyd skoricovy

DTXSID6024834

XC-800

NCGC00091512-04

NSC 16935

WLN: VH1U1R

DTXCID504834

3-phenyl-propenal

Caswell No. 221A

FEMA Number 2286

3-Fenylpropenal [Czech]

Aldehyd skoricovy [Czech]

Cinnamic aldehyde (natural)

Hefty Dog and Cat Repellent

CAS-14371-10-9

CCRIS 3189

CCRIS 6222

Cinnamaldehyde [NF]

HSDB 209

EINECS 203-213-9

UNII-SR60A3XG0F

DTXSID1024835

EPA Pesticide Chemical Code 040506

BRN 0605737

BRN 1071571

e-cinnamaldehyde

AI3-00473

AI3-33275

transcinnamaldehyde

|A-Phenylacrolein

trans cinnamaldehyde

CNMA

(trans)-cinnamaldehyde

trans cinnamic aldehyde

trans-3-Phenylacrolein

CINNAMAL [INCI]

trans-3-phenyl-propenal

(E)-phenylvinyl aldehyde

(E)-3-phenylacrylaldehyde

bmse010257

Epitope ID:150921

CINNAMALDEHYDE [II]

CINNAMALDEHYDE [MI]

EC 203-213-9

trans-3-Phenylacrylaldehyde

Trans-Cinnamaldehyde ,(S)

SCHEMBL3441

trans-Cinnamaldehyde, 99%

(E)-3-phenyl-acrylaldehyde

CINNAMALDEHYDE [FCC]

trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde

Cinnamaldehyde (trans), neat

CINNAMALDEHYDE [FHFI]

CINNAMALDEHYDE [HSDB]

2-07-00-00273 (Beilstein Handbook Reference)

4-07-00-00984 (Beilstein Handbook Reference)

MLS002454394

CINNAMALDEHYDE (TRANS)

trans-Cinnamaldehyde, >=99%

DTXCID904835

GTPL2423

(E)-cinnamaldehyde (incorrect)

CINNAMALDEHYDE [USP-RS]

CINNAMALDEHYDE [WHO-DD]

trans-cinnamaldehyde (incorrect)

CHEBI:142921

HMS2268O08

HMS3885E04

HY-N0609

NSC16935

NSC40346

Tox21_111144

Tox21_200272

Tox21_201804

Tox21_303271

BDBM50203065

s3763

STK397371

AKOS000119171

Cinnamaldehyde, natural, >=95%, FG

CCG-266119

DB14184

Cinnamaldehyde min. 98%, for synthesis

Cinnamaldehyde 100 microg/mL in Toluene

NCGC00091512-01

NCGC00091512-02

NCGC00091512-05

NCGC00091512-06

NCGC00091512-07

NCGC00257017-01

NCGC00257826-01

NCGC00259353-01

trans-Cinnamaldehyde, analytical standard

AS-12078

AS-75456

CAS-104-55-2

SMR000112334

trans-Cinnamaldehyde, >=98%, FCC, FG

(E)-3-phenyl-2-propenal(E)-cinnamaldehyde

DB-003796

AM20060482

CS-0009609

NS00003408

EN300-19160

C00903

Cinnamaldehyde, Vetec(TM) reagent grade, 93%

D72477

EN300-735819

A801001

Q204036

W-205597

B99DD6C7-1C6D-4FE3-A172-54BFDB987683

Z3219847383

CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]

Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard

InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4

TRANS-CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]

Microorganism:

Yes

IUPAC name

(E)-3-phenylprop-2-enal

SMILES

C1=CC=C(C=C1)C=CC=O

Inchi

InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Formula

C₉H₈O

PubChem ID

637511

Molweight

132.16

LogP

1.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aldehydes benzenoids aromatic compounds benzaldehydes

CHEBI-ID

16731

Supernatural-ID

SN0187402-02

mVOC Specific Details

Boiling Point

Degree	Reference
253 °C peer reviewed

Volatilization

The Henry's Law constant for cinnamaldehyde is estimated as 3.5X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.89X10-2 mm Hg(1), and water solubility, 1,420 mg/L(2). This Henry's Law constant indicates that cinnamaldehyde is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 290 hours (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 91 days(SRC). Cinnamaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cinnamaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. New York, NY: McGraw Hill (1984) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of cinnamaldehyde is estimated as 37(SRC), using a log Kow of 1.9(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cinnamaldehyde is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 53 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.89X10-2 mm Hg at 25 deg C	Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)

MS-Links

MS-MS Spectrum 5964 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2311 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5963 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 2312 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 182496

MS-MS Spectrum 180164

MS-MS Spectrum 5957 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 180163

MS-MS Spectrum 180162

MS-MS Spectrum 5961 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 5965 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 5958 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 5962 - CI-B (HITACHI M-80) Positive

MS-MS Spectrum 2310 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5959 - EI-B (SHIMADZU QP-1000) Positive

MS-MS Spectrum 182498

MS-MS Spectrum 5960 - EI-B (SHIMADZU QP-1000) Positive

MS-MS Spectrum 182497

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002122

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004930

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005392

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005393

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007347

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007433

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008083

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008705

Massbank Spectrum MSBNK-RIKEN-PR100059

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Klebsiella Pneumoniae		clinical isolate,bacteremic patients	Rees et al. 2017
Prokaryota	Stereum Subpileatum		NA	Birkinshaw et al. 1957

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Klebsiella Pneumoniae	BHI, LB, MHB, TSB	SPME / GCxGC-TOFMS	no
Prokaryota	Stereum Subpileatum			no

3-chloro-4-methoxybenzaldehyde

Compound Details

Synonymous names

3-Chloro-4-methoxybenzaldehyde

4903-09-7

3-Chloro-p-anisaldehyde

3-Chloroanisaldehyde

Benzaldehyde, 3-chloro-4-methoxy-

3-Chloro-anisaldehyde

3-Chloro-4-methoxybenzenecarbaldehyde

3-Chloro-4-methoxy-benzaldehyde

MFCD00016601

SCHEMBL335717

DTXSID50197671

CHEBI:200810

EINECS 225-532-2

CL8902

STK198720

3-Chloro-4-methoxybenzaldehyde, 97%

AKOS000295169

AM83075

CS-W004738

MCULE-6598481701

SY004242

C1797

NS00044499

EN300-85152

A23104

A827643

12W-0807

J-512240

Z57313891

Microorganism:

IUPAC name

3-chloro-4-methoxybenzaldehyde

SMILES

COC1=C(C=C(C=C1)C=O)Cl

Inchi

InChI=1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Formula

C₈H₇ClO₂

PubChem ID

78619

Molweight

170.59

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes ethers aldehydes chlorides benzaldehydes halogenated compounds

CHEBI-ID

200810

Supernatural-ID

SN0423704

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Anthracophyllum Discolor		NA	Schalchli et al. 2015
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Anthracophyllum Discolor			no
Eukaryota	Bjerkandera Adusta			no

3,5-ditert-butyl-4-hydroxybenzaldehyde

Compound Details

Synonymous names

3,5-Di-tert-butyl-4-hydroxybenzaldehyde

1620-98-0

Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

3,5-ditert-butyl-4-hydroxybenzaldehyde

3,5-Di-t-butyl-4-hydroxybenzaldehyde

Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-

MFCD00008826

3,5-bis(tert-butyl)-4-hydroxybenzaldehyde

95VTI93VUL

DTXSID7057658

4-Formyl-2,6-di-tert-butylphenol

NSC-14450

3,5-bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde

EINECS 216-592-0

NSC 14450

UNII-95VTI93VUL

BRN 0982526

3,5-ditert-Butyl-4-hydroxy-benzaldehyde

3,5-Di-tert-butyl-4-hydroxy-benzaldehyde

2,6-Di-tert-Butyl-4-formylphenol

NSC14450

4-Hydroxy-3,5-di-tert-butylbenzaldehyde

3,5-di(Tert-butyl)-4-hydroxybenzaldehyde

SCHEMBL85764

4-08-00-00601 (Beilstein Handbook Reference)

CHEMBL225623

DTXCID8031447

SCHEMBL22930710

CHEBI:170060

MAADFVPSLRWBIA-UHFFFAOYSA-N

BCP04892

Tox21_113770

3,5-di-t-butyl4-hydroxybenzaldehyde

BBL010515

STK397393

AKOS000113376

CS-W012903

MCULE-4024560770

MS-3676

3,5,-di-t-butyl-4-hydroxybenzaldehyde

3,5-Di-t-butyl-4-hydroxy benzaldehyde

3,5-ditert.butyl-4-hydroxybenzaldehyde

3,5-di tert.butyl-4-hydroxybenzaldehyde

3,5-di-tert-butyl 4-hydroxybenzaldehyde

3,5-di-tert.butyl-4-hydroxybenzaldehyde

Benzaldehyde,5-di-tert-butyl-4-hydroxy-

NCGC00253643-01

NCGC00253643-02

AC-10539

3,5- di-tert-butyl-4-hydroxybenzaldehyde

3,5-di-tert-butyl-4-hydrox-ybenzaldehyde

3,5-di-tert.-butyl-4-hydroxybenzaldehyde

3,5-di-tert.butyl-4-hydroxy benzaldehyde

4-hydroxy-3,5-di-tert.-butylbenzaldehyde

CAS-1620-98-0

3,5-Di-(tert-butyl)-4-hydroxybenzaldehyde

Benzaldehyde, 4-hydroxy-3,5-di-tert-butyl

DB-022118

3,5-di-tertiary-butyl-4-hydroxybenzaldehyde

AM20050056

NS00009935

EN300-17563

Benzoic aldehyde, 3,5-di-t-butyl-4-hydroxy-

AB01324450-02

3,5-di0T0butyl-4-hydroxybenzaldehyde*hemihydrate

A810339

AE-641/02487004

Benzaldehyde,5-bis(1,1-dimethylethyl)-4-hydroxy-

SR-01000944840

3,5-Ditert-butyl-4-hydroxybenzaldehyde, AldrichCPR

SR-01000944840-1

W-107967

Q27271830

Z56957492

F1673-1281

2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one #

2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-

3-TERT-BUTYL-2-HYDROXY-.BETA.,.BETA.,5-TRIMETHYLBENZENEETHYL-.BETA.-D-GLUCOSIDURONATE

InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H

Microorganism:

Yes

IUPAC name

3,5-ditert-butyl-4-hydroxybenzaldehyde

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O

Inchi

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3

Formula

C₁₅H₂₂O₂

PubChem ID

73219

Molweight

234.33

LogP

4.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aldehydes phenols benzaldehydes

CHEBI-ID

170060

Supernatural-ID

SN0071594

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Antwerp_Univ-AN113101

Massbank Spectrum MSBNK-Antwerp_Univ-AN113102

Massbank Spectrum MSBNK-Antwerp_Univ-AN113103

Massbank Spectrum MSBNK-Antwerp_Univ-AN113104

Massbank Spectrum MSBNK-Antwerp_Univ-AN113105

Massbank Spectrum MSBNK-Antwerp_Univ-AN113106

Massbank Spectrum MSBNK-Antwerp_Univ-AN113107

Massbank Spectrum MSBNK-Antwerp_Univ-AN113108

Massbank Spectrum MSBNK-Antwerp_Univ-AN113109

Massbank Spectrum MSBNK-Antwerp_Univ-AN113110

Massbank Spectrum MSBNK-Antwerp_Univ-AN113111

Massbank Spectrum MSBNK-Antwerp_Univ-AN113112

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010569

Species emitting the compound

Kingdom	Species	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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

4-(furan-3-yl)benzaldehyde

Compound Details

Synonymous names

4-(furan-3-yl)benzaldehyde

4-furan-3-yl-benzaldehyde

4-(uran-3-yl)benzaldehyde

SCHEMBL610426

CHEMBL250060

CHEBI:225561

QUGMHBNQYXZEIU-UHFFFAOYSA-N

AKOS013264007

4-(2-FORMYLFURAN-3-YL)BENZALDEHYDE

EN300-745590

A1-27441

F2167-0775

Microorganism:

IUPAC name

4-(furan-3-yl)benzaldehyde

SMILES

C1=CC(=CC=C1C=O)C2=COC=C2

Inchi

InChI=1S/C11H8O2/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-8H

Formula

C₁₁H₈O₂

PubChem ID

21526045

Molweight

172.18

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids ethers aldehydes benzaldehydes furan derivatives heterocyclic compounds

CHEBI-ID

225561

Supernatural-ID

SN0315350

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Sarcodontia Crocea		NA	Kokubun et al. 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Sarcodontia Crocea		2D NMR	no

4-(5-oxooxolan-3-yl)benzaldehyde

Compound Details

Synonymous names

4-(5-oxooxolan-3-yl)benzaldehyde

4-(5-oxotetrahydrofuran-3-yl)benzaldehyde

4-(2-Oxooxolane-4-yl)benzaldehyde

CHEMBL400450

Microorganism:

IUPAC name

4-(5-oxooxolan-3-yl)benzaldehyde

SMILES

C1C(COC1=O)C2=CC=C(C=C2)C=O

Inchi

InChI=1S/C11H10O3/c12-6-8-1-3-9(4-2-8)10-5-11(13)14-7-10/h1-4,6,10H,5,7H2

Formula

C₁₁H₁₀O₃

PubChem ID

14863055

Molweight

190.19

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids aldehydes lactones benzaldehydes heterocyclic compounds

CHEBI-ID

203288

Supernatural-ID

SN0454085

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Sarcodontia Crocea		NA	Kokubun et al. 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Sarcodontia Crocea		2D NMR	no

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

Benzaldehyde, natural, >=98%, FCC, FG

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

Benzaldehyde, puriss. p.a., >=99.0% (GC)

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

Microorganism:

Yes

IUPAC name

benzaldehyde

SMILES

C1=CC=C(C=C1)C=O

Inchi

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Formula

C₇H₆O

PubChem ID

240

Molweight

106.12

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

17169

Supernatural-ID

SN0135798

mVOC Specific Details

Boiling Point

Degree	Reference
178.7 °C peer reviewed

Volatilization

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde 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 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
1.27 mm Hg at 25 deg C	Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

MS-Links

MS-MS Spectrum 2473 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2472 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20462

MS-MS Spectrum 2474 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6103 - EI-B (HITACHI M-68) Positive

MS-MS Spectrum 226368

MS-MS Spectrum 6102 - EI-B (JEOL JMS-01-SG-2) Positive

MS-MS Spectrum 6104 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 20464

MS-MS Spectrum 6105 - EI-B (HP 5970) Positive

1D-NMR-Links

1D NMR Spectrum 2036 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 4018

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003416

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003547

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004667

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008775

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS000801

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
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	Streptococcus Pneumoniae	NA	NA	Mellors et al. 2018
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Eukaryota	Agaricus Essettei		NA	Rapior et al. 2002
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Escherichia Coli		NA	Karami et al. 2017
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017
Prokaryota	Bacillus Subtilis		NA	Gao et al. 2018
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Hypoxylon Invadens		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	Polyporus Tuberaster		NA	Kawabe et al. 1994
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
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	Bacillus Amyloliquefaciens		commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		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
Prokaryota	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal activity against Colletotrichum nymphaeae	isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province	Alijani et al. 2020
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 101	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Lactobacillus Plantarum	n/a	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	Bacillus Sp.	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
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	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	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Octadecabacter Sp.	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
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	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Bacillus Amyloliquefaciens		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Penicillium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Botrytis Sp.		NA	Kikuchi et al. 1983
Eukaryota	Aspergillus Sp.		NA	Takeuchi et al. 2012
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Pseudomonas Fluorescens	promotes volatile oil accumulation, activating plant defense	from geo-authentic Atractylodes lancea	Zhou et al. 2016
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Lactobacillus Helveticus	na	yoghurt	Pogačić et al. 2016
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	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
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Haemophilus Influenzae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Indicum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
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	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saccharomyces Eubayanus	NA	NA	Urbina et al. 2020
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	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	Streptococcus Pneumoniae	Modified Lacks Media	SPME/GCxGC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Eukaryota	Agaricus Essettei		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Candida Albicans	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Escherichia Coli	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB) agar	HS / SPME / GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	yes
Eukaryota	Polyporus Tuberaster	PGY	GC-MS	no
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	TSB media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Epidermidis	MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Lactobacillus Plantarum	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	Bacillus Sp.	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
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	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Octadecabacter Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract	GC/MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Bacillus Amyloliquefaciens	LB	SPME-GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Pleurotus Ostreatus			no
Eukaryota	Fomes Fomentarius			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Botrytis Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Pseudomonas Fluorescens	MS rooting agar	GC/MS + comparison to NIST	no
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Lactobacillus Helveticus	curd-based broth medium	GC/MS	yes
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	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
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Bjerkandera Adusta			no
Eukaryota	Tuber Melanosporum	None	None	yes
Eukaryota	Tuber Indicum	None	None	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
Eukaryota	Metschnikowia Fructicola	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
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	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
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS-SPME-GC-MS	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

4-methylbenzaldehyde

Mass-Spectra

Compound Details

Synonymous names

p-Tolualdehyde

4-METHYLBENZALDEHYDE

104-87-0

4-Tolualdehyde

p-Formyltoluene

p-Methylbenzaldehyde

p-Tolylaldehyde

p-Toluylaldehyde

para-Tolualdehyde

Benzaldehyde, 4-methyl-

para-Methylbenzaldehyde

para-Toluyl aldehyde

Paratolualdehyde

4-Toluylaldehyde

4-Methyl-Benzaldehyde

PTAL

NSC 2224

p-methyl benzaldehyde

MFCD00006954

GAX22QZ28Q

CHEMBL190927

DTXSID9041520

CHEBI:28617

NSC-2224

4-methyl benzaldehyde

4-Toluicaldehyde

CCRIS 2942

HSDB 5361

TOLUALDEHYDE, P-

EINECS 203-246-9

UNII-GAX22QZ28Q

p-tolu-aldehyde

AI3-24380

p-toluenealdehyde

p-tolyl aldehyde

p-toluic aldehyde

p-tolyl-methanone

p-Tolualdehyde, c

p-4-methylbenzaldehyde

p-Tolualdehyde, 97%

bmse000527

SCHEMBL29171

P-TOLUALDEHYDE [FCC]

p-Tolualdehyde, >=97%, FG

DTXCID7021520

NSC2224

4-methylbenzaldehyde;p-Tolualdehyde

OZAGREL SODIUM IMPURITY 19

p-Tolualdehyde, analytical standard

4-METHYLBENZALDEHYDE [HSDB]

4-METHYLBENZALDEHYDE [INCI]

FEMA NO. 3068, P-

Tox21_304012

BDBM50159265

STL194064

AKOS000119345

CS-W013576

HY-W012860

MCULE-2461351642

PS-5663

NCGC00357225-01

AC-16956

CAS-104-87-0

DB-003768

NS00013243

T0259

T1073

EN300-20307

C06758

p-Tolualdehyde, Vetec(TM) reagent grade, 97%

A801081

Q3266675

W-108803

F2190-0585

Z104477698

InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H

Microorganism:

Yes

IUPAC name

4-methylbenzaldehyde

SMILES

CC1=CC=C(C=C1)C=O

Inchi

InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

Formula

C₈H₈O

PubChem ID

7725

Molweight

120.15

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

28617

Supernatural-ID

SN0098131

mVOC Specific Details

Boiling Point

Degree	Reference
204 °C peer reviewed

Volatilization

The Henry's Law constant for 4-methylbenzaldehyde is estimated as 1.7X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 0.25 mm Hg(1), and water solubility, 2270 mg/L(2). This Henry's Law constant indicates that 4-methylbenzaldehyde is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.4 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 21 days(SRC). 4-Methylbenzaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Methylbenzaldehyde is 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. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Publ Corp, 4 Vol (1987) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 4-methylbenzaldehyde is estimated as 62(SRC), using a water solubility of 2,270 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylbenzaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. 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
2.5X10-1 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 104556

MS-MS Spectrum 170862

MS-MS Spectrum 170863

MS-MS Spectrum 170864

MS-MS Spectrum 104557

MS-MS Spectrum 104558

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000176

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004986

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008704

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008787

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no

2,4,6-trimethylbenzaldehyde

Compound Details

Synonymous names

2,4,6-TRIMETHYLBENZALDEHYDE

Mesitaldehyde

487-68-3

Mesitylaldehyde

Benzaldehyde, 2,4,6-trimethyl-

Mesitylenecarboxaldehyde

2-Mesitylenecarboxaldehyde

2-Formylmesitylene

2,4,6-trimethyl-benzaldehyde

MFCD00003341

4W00MG84DR

DTXSID5052125

2-Formyl-1,3,5-trimethylbenzene

NSC-29094

EINECS 207-662-1

NSC 29094

BRN 1364114

Isodural

mesityl aldehyde

AI3-06142

b-Isodural

Aldehydomesitylene

b-Isoduryl aldehyde

2,6-Trimethylbenzaldehyde

EC 207-662-1

UNII-4W00MG84DR

SCHEMBL79252

Benzaldehyde,4,6-trimethyl-

4-07-00-00730 (Beilstein Handbook Reference)

CHEMBL3560744

DTXCID7030694

CHEBI:195893

NSC29094

Tox21_303703

AKOS000120393

CS-W018185

HY-W017469

MCULE-1095029386

NCGC00357022-01

AC-15540

AS-11832

CAS-487-68-3

SY035572

DB-013965

NS00001558

T1368

EN300-20385

Mesitaldehyde, Vetec(TM) reagent grade, 98%

A827602

doi:10.14272/HIKRJHFHGKZKRI-UHFFFAOYSA-N.1

W-106040

Q63408662

Z104477950

Mesitaldehyde, contains ~0.1% Hydroquinone as stabilizer, 98%

InChI=1/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H

Microorganism:

Yes

IUPAC name

2,4,6-trimethylbenzaldehyde

SMILES

CC1=CC(=C(C(=C1)C)C=O)C

Inchi

InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3

Formula

C₁₀H₁₂O

PubChem ID

10254

Molweight

148.2

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

195893

Supernatural-ID

SN0126514

mVOC Specific Details

Boiling Point

Degree	Reference
238.5 median

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008789

Species emitting the compound

Kingdom	Species	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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

2,5-dimethylbenzaldehyde

Compound Details

Synonymous names

2,5-DIMETHYLBENZALDEHYDE

5779-94-2

Isoxylaldehyde

Benzaldehyde, 2,5-dimethyl-

MFCD00003342

6M224X1615

UNII-6M224X1615

EINECS 227-303-2

2,5-dimethyl benzaldehyde

YSWG666

SCHEMBL268706

DTXSID0075449

2,5-Dimethylbenzaldehyde, 99%

CHEBI:173203

AKOS000120289

MCULE-9026398948

AC-28485

AS-58131

SY017911

DB-024140

CS-0153345

NS00033792

EN300-20658

A831605

W-105442

Q27265131

Z104479610

InChI=1/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H

Microorganism:

Yes

IUPAC name

2,5-dimethylbenzaldehyde

SMILES

CC1=CC(=C(C=C1)C)C=O

Inchi

InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3

Formula

C₉H₁₀O

PubChem ID

22015

Molweight

134.17

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

173203

Supernatural-ID

SN0349832

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum		NA	Yang et al. 2022
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Metschnikowia Reukaufii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Rhodotorula Mucilaginosa	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Sporidiobolus Salmonicolor	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cryptococcus Sp.	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	Vishniacozyma Victoriae	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole 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	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Rhodotorula Mucilaginosa	artificial nectar media	GC-MS	no
Eukaryota	Sporidiobolus Salmonicolor	artificial nectar media	GC-MS	no
Eukaryota	Cryptococcus Sp.	artificial nectar media	GC-MS	no
Eukaryota	Vishniacozyma Victoriae	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Gelida	artificial nectar media	GC-MS	no

3-ethylbenzaldehyde

Compound Details

Synonymous names

3-Ethylbenzaldehyde

34246-54-3

m-Ethylbenzaldehyde

Benzaldehyde, 3-ethyl-

3-Ethyl-benzaldehyde

MFCD09263482

EINECS 251-896-7

SCHEMBL291613

DTXSID90187819

CHEBI:229392

BCP06175

BIS(TRI-N-BUTYLTIN)ITACONATE

CL8323

AKOS006331230

CS-W006593

DS-17925

SY113403

NS00029629

EN300-96750

Z1198218859

Microorganism:

Yes

IUPAC name

3-ethylbenzaldehyde

SMILES

CCC1=CC(=CC=C1)C=O

Inchi

InChI=1S/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3

Formula

C₉H₁₀O

PubChem ID

118623

Molweight

134.17

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

229392

Supernatural-ID

SN0209176

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes

Results for: chemical Classification: benzaldehydes

2,4-dimethylbenzaldehyde

Compound Details

mVOC Specific Details

2-aminobenzaldehyde

Compound Details

mVOC Specific Details

4-hydroxybenzaldehyde

Compound Details

mVOC Specific Details

Benzene-1,3-dicarbaldehyde

Compound Details

mVOC Specific Details

3-methoxy-2-trimethylsilyloxybenzaldehyde

Compound Details

mVOC Specific Details

2-hydroxybenzaldehyde

Compound Details

mVOC Specific Details

3,4-dimethoxybenzaldehyde

Compound Details

mVOC Specific Details

4-methoxybenzaldehyde

Compound Details

mVOC Specific Details

2,5-bis(trimethylsilyloxy)benzaldehyde

Compound Details

mVOC Specific Details

3,5-dichloro-4-methoxybenzaldehyde

Compound Details

mVOC Specific Details

(E)-3-phenylprop-2-enal

Compound Details

mVOC Specific Details

3-chloro-4-methoxybenzaldehyde

Compound Details

mVOC Specific Details

3,5-ditert-butyl-4-hydroxybenzaldehyde

Compound Details

mVOC Specific Details

4-(furan-3-yl)benzaldehyde

Compound Details

mVOC Specific Details

4-(5-oxooxolan-3-yl)benzaldehyde

Compound Details

mVOC Specific Details

Benzaldehyde

Compound Details

mVOC Specific Details

4-methylbenzaldehyde

Compound Details

mVOC Specific Details

2,4,6-trimethylbenzaldehyde

Compound Details

mVOC Specific Details

2,5-dimethylbenzaldehyde

Compound Details

mVOC Specific Details

3-ethylbenzaldehyde

Compound Details

mVOC Specific Details

Results for:
chemical Classification: benzaldehydes