Results for:
chemical Classification: furan derivatives

2-methylfuran-3-thiol

Mass-Spectra

Compound Details

Synonymous names

2-Methyl-3-furanthiol

28588-74-1

2-Methylfuran-3-thiol

3-FURANTHIOL, 2-METHYL-

2-methyl-3-furanethiol

2-Methyl-3-mercaptofuran

2-Methyl-3-furylthiol

2-Methyl-3-furylmercaptan

3-Mercapto-2-methylfuran

2-methyl-furan-3-thiol

FEMA No. 3188

2-methyl-3-sulfanylfuran

2-methyl-3-mercapto-furan

2-Methyl, 3-furanethiol

Furan-3-thiol, 2-methyl

DTXSID5047118

N21RW1N179

Oxycyclothione 030

EINECS 249-094-7

UNII-N21RW1N179

methyl furanthiol

MFCD00010280

2-methyluran-3-thiol

2-methyl-3-furan thiol

SCHEMBL691744

CHEMBL3188696

DTXCID3027118

FEMA 3188

2-Methyl-3-furanthiol (90%)

CHEBI:167074

METHYL-3-FURANTHIOL, 2-

Tox21_302709

2-Methyl-3-furanthiol, 95%, FG

2-Methyl-3-furanthiol (90per cent)

AKOS015897434

2-METHYL-3-FURYLTHIOL [FHFI]

CS-W011245

SB60941

2-Methyl-3-furanthiol, technical grade

NCGC00256792-01

AS-47693

CAS-28588-74-1

DB-021329

M1847

NS00012894

EN300-126929

F15479

Q-100360

Q27284403

Microorganism:

Yes

IUPAC name

2-methylfuran-3-thiol

SMILES

CC1=C(C=CO1)S

Inchi

InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3

Formula

C₅H₆OS

PubChem ID

34286

Molweight

114.17

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers furan derivatives heterocyclic compounds sulfur compounds thiols

CHEBI-ID

167074

Supernatural-ID

SN0335963

mVOC Specific Details

Boiling Point

Degree	Reference
57 median

MS-Links

MS-MS Spectrum 149267

MS-MS Spectrum 86876

MS-MS Spectrum 149266

MS-MS Spectrum 149265

MS-MS Spectrum 86875

MS-MS Spectrum 86874

MS-Links

GC-MS Spectrum 2646

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes

2-ethenylfuran

Compound Details

Synonymous names

2-Ethenylfuran

2-VINYLFURAN

Furan, 2-ethenyl-

1487-18-9

Vinylfuran

31093-57-9

V5MN67I54D

UNII-V5MN67I54D

2-ethenyl-furan

Furan, ethenyl-

DTXSID8073261

MFCD00012086

AKOS013757980

PS-11976

DB-251453

DB-365342

EN300-81439

Q22028562

F1967-3022

Microorganism:

Yes

IUPAC name

2-ethenylfuran

SMILES

C=CC1=CC=CO1

Inchi

InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2

Formula

C₆H₆O

PubChem ID

73881

Molweight

94.11

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds furan derivatives heterocyclic compounds ethers

Supernatural-ID

SN0312144

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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no

2-[furan-2-yl-(pyrimidin-2-ylamino)methyl]phenol

Compound Details

Synonymous names

2-[furan-2-yl(pyrimidin-2-ylamino)methyl]phenol

OAUCXPSMCQYWNB-UHFFFAOYSA-N

STL580198

AKOS040893310

MCULE-8162177718

2-[2-Furyl(2-pyrimidinylamino)methyl]phenol #

Phenol, 2-(2-furyl)(2-pyrimidylamino)methyl-

Microorganism:

Yes

IUPAC name

2-[furan-2-yl-(pyrimidin-2-ylamino)methyl]phenol

SMILES

C1=CC=C(C(=C1)C(C2=CC=CO2)NC3=NC=CC=N3)O

Inchi

InChI=1S/C15H13N3O2/c19-12-6-2-1-5-11(12)14(13-7-3-10-20-13)18-15-16-8-4-9-17-15/h1-10,14,19H,(H,16,17,18)

Formula

C₁₅H₁₃N₃O₂

PubChem ID

565434

Molweight

267.28

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines furan derivatives aromatic compounds heterocyclic compounds phenols ethers nitrogen compounds

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

1-(3-hydroxyfuran-2-yl)ethanone

Compound Details

Synonymous names

ISOMALTOL

3420-59-5

1-(3-hydroxyfuran-2-yl)ethanone

Ethanone, 1-(3-hydroxy-2-furanyl)-

2-acetyl-3-hydroxyfuran

1-(3-Hydroxy-2-furyl)ethanone

Ketone, 3-hydroxy-2-furyl methyl

76NST80C38

UNII-76NST80C38

3-hydroxy-2-furyl methyl ketone

ISOMALTOL [MI]

SCHEMBL27812

88511-92-6

DTXSID10187790

3-hydroxyfuran-2-yl methyl ketone

DTXSID301282527

1-(3-Hydroxy-2-furyl)ethanone #

AKOS025296178

2-(1-Hydroxyethylidene)-3(2H)-furanone

F95114

Q2574472

Microorganism:

Yes

IUPAC name

1-(3-hydroxyfuran-2-yl)ethanone

SMILES

CC(=O)C1=C(C=CO1)O

Inchi

InChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3

Formula

C₆H₆O₃

PubChem ID

18898

Molweight

126.11

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds furan derivatives ketones heterocyclic compounds aromatic ketones ethers

Supernatural-ID

SN0131825

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no

Furan-2-ylmethyl Acetate

Compound Details

Synonymous names

Furfuryl acetate

623-17-6

furan-2-ylmethyl acetate

2-Furanmethanol, acetate

FURFURAL ACETATE

Furfuryl alcohol, acetate

Acetic acid furfuryl ester

2-Furanmethanol acetate

2-Acetoxymethylfuran

2-Furfuryl acetate

Acetic acid furfurylester

2-Furanmethyl acetate

2-Furylmethyl acetate

2-Furanmethanol, 2-acetate

2-Furylcarbinyl acetate

FEMA No. 2490

2-Furfuryl-acetate

3CJC9ALG3X

(furan-2-yl)methyl acetate

DTXSID7025346

NSC-5585

DTXCID705346

Furfurylacetate

CAS-623-17-6

CCRIS 6242

NSC 5585

EINECS 210-775-9

UNII-3CJC9ALG3X

BRN 0116128

AI3-11016

Furfuryl ethanoate

Furfuryl-ethanoate

uran-2-ylmethyl acetate

Furfuryl acetate, 97%

Furfuryl acetate, 99%

2-Furylmethyl acetate #

5-17-03-00344 (Beilstein Handbook Reference)

SCHEMBL190434

FURFURAL ACETATE [FHFI]

CHEMBL1522321

FEMA 2490

Furfuryl acetate, >=98%, FG

NSC5585

CHEBI:191539

Tox21_201590

Tox21_303142

MFCD00003251

s5831

AKOS005206950

CS-W011037

HY-W010321

MCULE-8997160416

SB60888

Furfuryl acetate, natural, >=98%, FG

NCGC00091809-01

NCGC00091809-02

NCGC00257222-01

NCGC00259139-01

TS-01820

A0903

NS00022532

2-furylmethyl acetate;Furan-2-ylmethyl acetate

EN300-254213

F14839

Furfuryl acetate, analytical reference material

A833715

Q11644408

6-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b]thiazole

Z204447878

InChI=1/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H

Microorganism:

Yes

IUPAC name

furan-2-ylmethyl acetate

SMILES

CC(=O)OCC1=CC=CO1

Inchi

InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

Formula

C₇H₈O₃

PubChem ID

12170

Molweight

140.14

LogP

0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters furan derivatives heterocyclic compounds aromatic compounds ethers

CHEBI-ID

191539

Supernatural-ID

SN0048295

mVOC Specific Details

Boiling Point

Degree	Reference
175 median

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002529

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006893

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007745

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008054

Species emitting the compound

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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	grape juice	LC-15C HPLC	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Furan-2-ylmethyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names

Furfuryl isovalerate

13678-60-9

furan-2-ylmethyl 3-methylbutanoate

Furfuryl 3-methylbutanoate

Isovaleric acid, furfuryl ester

2-Furanylmethyl isovalerate

Butanoic acid, 3-methyl-, 2-furanylmethyl ester

FEMA No. 3283

2-Furanylmethyl 3-methylbutanoate

3-Methylbutyric acid, 2-furanylmethyl ester

FEMA 3283

Butanoic acid, 3-methyl-, 2-furanmethyl ester

V7HH8621P6

UNII-V7HH8621P6

EINECS 237-171-8

furfuryl 3-methyl butanoate

SCHEMBL1532474

DTXSID4065579

CHEBI:179566

uran-2-ylmethyl 3-methylbutanoate

2-Furylmethyl 3-methylbutanoate #

FURFURYL ISOVALERATE [FHFI]

LMFA07010890

Furfuryl 3-methylbutanoate, >=98%, FG

DB-220745

NS00021621

Butanoic acid,3-methyl-,2-furanylmethyl ester

Q27291635

Microorganism:

Yes

IUPAC name

furan-2-ylmethyl 3-methylbutanoate

SMILES

CC(C)CC(=O)OCC1=CC=CO1

Inchi

InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3

Formula

C₁₀H₁₄O₃

PubChem ID

61658

Molweight

182.22

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters heterocyclic compounds furan derivatives aromatic compounds ethers

CHEBI-ID

179566

Supernatural-ID

SN0088012

mVOC Specific Details

Boiling Point

Degree	Reference
97 median

MS-Links

MS-MS Spectrum 153661

MS-MS Spectrum 55105

MS-MS Spectrum 55104

MS-MS Spectrum 55106

MS-MS Spectrum 153662

MS-MS Spectrum 153660

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007082

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

Methyl 2,5-dimethylfuran-3-carboxylate

Mass-Spectra

Compound Details

Synonymous names

6148-34-1

Methyl 2,5-dimethyl-3-furoate

Methyl 2,5-dimethylfuran-3-carboxylate

Methyl 2,5-dimethyl-3-furancarboxylate

MFCD00010303

EINECS 228-155-1

3-Furoic acid, 2,5-dimethyl-, methyl ester

MLS004257376

3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester

SCHEMBL3179093

DTXSID20210442

methyl 2,5-dimethyl-3-furanoate

3-carbomethoxy-2,5-dimethylfuran

STL301441

AKOS000120253

Methyl2,5-dimethylfuran-3-carboxylate

MCULE-1364095605

SB61266

BS-29116

SMR003082508

SY303283

Methyl 2,5-dimethylfuran-3-carboxylic acid

NS00034700

EN300-15471

E75983

Methyl 2,5-dimethyl-3-furancarboxylate, 95%

2,5-dimethylfuran-3-carboxylic acid methyl ester

A899823

3-Furancarboxylic acid,2,5-dimethyl-, methyl ester

Z19023124

F0001-1622

Microorganism:

IUPAC name

methyl 2,5-dimethylfuran-3-carboxylate

SMILES

CC1=CC(=C(O1)C)C(=O)OC

Inchi

InChI=1S/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3

Formula

C₈H₁₀O₃

PubChem ID

80248

Molweight

154.16

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters heterocyclic compounds furan derivatives aromatic compounds ethers

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Fujikuroi		NA	Brock et al. 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Fujikuroi			no

2-methyl-3-methylsulfanylfuran

Compound Details

Synonymous names

2-methyl-3-(methylthio)furan

63012-97-5

2-Methyl-3-methylthiofuran

furan, 2-methyl-3-(methylthio)-

2-methyl-3-methylsulfanylfuran

2-methyl-3-(methylthio)-furan

2-Methyl-3-thiomethylfuran

FEMA no. 3949

2-Methyl-3-(methylthio)furan [FHFI]

M46N02LDL4

2-methyl-3-(methylsulfanyl)furan

UNII-M46N02LDL4

Dimethylthiofuran

1-Ethylundecyl 2-fluorobenzoate

2-methyl-3-methylsulfanyl-furan

SCHEMBL757595

2-Methyl-(3-Methylthio)furan

2-Methyl-3-(methylthio) furan

FEMA 3949

DTXSID50212237

Furan, 2-methyl-3-(methylthio)

BCP11303

MFCD03701635

AKOS015897445

CS-W013462

DS-11400

2-Methyl-3-methylthiofuran, >=98%, FG

M1838

NS00022586

H11351

EN300-1703881

A834150

Q-100727

Q27283471

InChI=1/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H

Microorganism:

Yes

IUPAC name

2-methyl-3-methylsulfanylfuran

SMILES

CC1=C(C=CO1)SC

Inchi

InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3

Formula

C₆H₈OS

PubChem ID

526618

Molweight

128.19

LogP

1.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfur compounds heterocyclic compounds furan derivatives sulfides aromatic compounds thioethers

Supernatural-ID

SN0272814

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Lu 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	Lysobacter Capsici	antifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minor	NA	Vlassi et al. 2020

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	TH medium	GC-IMS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Lysobacter Capsici	NA-media	GC-MS	no

1-(3,5-dimethylfuran-2-yl)ethanone

Compound Details

Synonymous names

1-(3,5-dimethylfuran-2-yl)ethanone

22940-86-9

2-Acetyl-3,5-dimethylfuran

1-(3,5-Dimethyl-2-furyl)ethanone

ethanone, 1-(3,5-dimethyl-2-furanyl)-

FEMA No. 4071

1-(3,5-dimethylfuran-2-yl)ethan-1-one

1MFL8Z7ZBB

Ketone, 3,5-dimethyl-2-furyl methyl

3,5-Dimethyl-2-furyl methyl ketone

MFCD00052576

UNII-1MFL8Z7ZBB

2-Acetyl-3,5-dimethyl furan

SCHEMBL9590560

SQWQZVDNBPEROH-UHFFFAOYSA-

DTXSID20177485

CHEBI:179264

1-(3,5-dimethyluran-2-yl)ethanone

AKOS006274859

CS-W021212

DS-5327

MCULE-3602976725

SB61064

1-(3,5-Dimethyl-2-furyl)ethanone #

2-ACETYL-3,5-DIMETHYLFURAN [FHFI]

DB-336684

NS00021880

1-(3 pound not5-Dimethylfuran-2-yl)ethanone

C74181

EN300-325194

A878377

Q27252610

InChI=1/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3

Microorganism:

Yes

IUPAC name

1-(3,5-dimethylfuran-2-yl)ethanone

SMILES

CC1=CC(=C(O1)C(=O)C)C

Inchi

InChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3

Formula

C₈H₁₀O₂

PubChem ID

579675

Molweight

138.16

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic ketones thioethers furan derivatives heterocyclic compounds aromatic compounds ketones

CHEBI-ID

179264

Supernatural-ID

SN0352956

mVOC Specific Details

Boiling Point

Degree	Reference
195 median

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-phenylfuran

Mass-Spectra

Compound Details

Synonymous names

3-Phenylfuran

Furan, 3-phenyl-

13679-41-9

3-phenyl-furan

3-phenyluran

SCHEMBL1126802

DTXSID30333833

CHEBI:167083

AKOS015904821

DB-218185

Microorganism:

Yes

IUPAC name

3-phenylfuran

SMILES

C1=CC=C(C=C1)C2=COC=C2

Inchi

InChI=1S/C10H8O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

Formula

C₁₀H₈O

PubChem ID

518802

Molweight

144.17

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids furan derivatives ethers heterocyclic compounds

CHEBI-ID

167083

Supernatural-ID

SN0030008

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Eukaryota	Tuber Melanosporum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Eukaryota	Tuber Melanosporum			yes
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

2-methyl-1-benzofuran

Compound Details

Synonymous names

2-METHYLBENZOFURAN

4265-25-2

2-Methyl-1-benzofuran

Benzofuran, 2-methyl-

2-Methylcumarone

2-methyl-benzofuran

2-Methylbenzo[b]furan

8X3183BZ3X

MFCD00005850

UNII-8X3183BZ3X

EINECS 224-249-1

AI3-11240

2-Methyl-1-benzofuran #

2-Methylbenzofuran, 96%

SCHEMBL12264

2- METHYLBENZO(B)FURAN

FEMA NO. 4543

CHEBI:89722

DTXSID40863353

AMY38188

AKOS015889444

CS-W013412

MCULE-8018911974

AC-37134

AS-56948

SY039830

DB-050953

NS00047151

EN300-108850

F11695

A825974

Q27161912

Z1255386706

2-Methylbenzofuran; 2-Methylbenzo[b]furan; 2-Methylcumarone

InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H

Microorganism:

Yes

IUPAC name

2-methyl-1-benzofuran

SMILES

CC1=CC2=CC=CC=C2O1

Inchi

InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

Formula

C₉H₈O

PubChem ID

20263

Molweight

132.16

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids ethers furan derivatives aromatic compounds heterocyclic compounds

CHEBI-ID

89722

Supernatural-ID

SN0101060

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011802

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
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Fructicola	liquid YPD medium	GC-MS	no

Furan-2-carbohydrazide

Compound Details

Synonymous names

furan-2-carbohydrazide

3326-71-4

2-Furoic acid hydrazide

2-Furoic hydrazide

2-Furohydrazide

Furoylhydrazide

2-Furoylhydrazine

2-Furancarbohydrazide

2-Furoylhydrazide

2-Furancarboxylic acid, hydrazide

Furoic acid, hydrazide

2-Furylcarbonylhydrazide

2-furancarboxylic acid hydrazide

2-Furancarbohydrazonic acid

2-FUROIC ACID, HYDRAZIDE

Pyromucic acid hydrazide

2-Furancarbonyl hydrazide

2-Furylcarboxylic acid hydrazide

MFCD00003235

Furan-2-carboxylic acid hydrazide

NSC 11957

NSC 35574

WLN: T5OJ BVMZ

NSC11957

NSC35574

Furancarboxylic acid, hydrazide

2-Furoicacidhydrazide

EINECS 222-046-2

BRN 0114435

AI3-62534

2-furanhydrazide

2-Furoichydrazide

2-furanoic hydrazide

furan 2-carbohydrazide

2-Furoic hydrazide, 98%

5-18-06-00125 (Beilstein Handbook Reference)

SCHEMBL140989

CHEMBL340492

DTXSID10186900

HMS1775C18

CS-M1764

NSC-11957

NSC-35574

STK121925

AKOS000194881

AM10044

MCULE-6130017029

AS-57679

SY048471

DB-048376

DB-293084

F1015

NS00029450

2-Furoic hydrazide, purum, >=97.0% (NT)

EN300-17784

F10405

A821702

AN-068/40170015

J-019120

J-521392

Z57036326

F3145-4915

InChI=1/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8

Microorganism:

Yes

IUPAC name

furan-2-carbohydrazide

SMILES

C1=COC(=C1)C(=O)NN

Inchi

InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)

Formula

C₅H₆N₂O₂

PubChem ID

18731

Molweight

126.11

LogP

-0.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

hydrazines ethers furan derivatives heterocyclic compounds nitrogen compounds

Supernatural-ID

SN0348234

mVOC Specific Details

Species emitting the compound

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

Method

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

2-[(E)-[3-(N,2-dimethylanilino)-1-benzofuran-2-yl]iminomethyl]phenol

Compound Details

Synonymous names

NZYSJSDKUCJACV-BUVRLJJBSA-N

2-((E)-([3-(2-Dimethylanilino)-1-benzofuran-2-yl]imino)methyl)phenol #

Microorganism:

Yes

IUPAC name

2-[(E)-[3-(N,2-dimethylanilino)-1-benzofuran-2-yl]iminomethyl]phenol

SMILES

CC1=CC=CC=C1N(C)C2=C(OC3=CC=CC=C32)N=CC4=CC=CC=C4O

Inchi

InChI=1S/C23H20N2O2/c1-16-9-3-6-12-19(16)25(2)22-18-11-5-8-14-21(18)27-23(22)24-15-17-10-4-7-13-20(17)26/h3-15,26H,1-2H3/b24-15+

Formula

C₂₃H₂₀N₂O₂

PubChem ID

135822622

Molweight

356.4

LogP

5.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

imines amines aromatic compounds benzenoids furan derivatives heterocyclic compounds ethers nitrogen compounds phenols

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

3-(4-methylpent-3-enyl)furan

Mass-Spectra

Compound Details

Synonymous names

Perillene

Perillen

539-52-6

3-(4-methylpent-3-en-1-yl)furan

3-(4-Methyl-3-pentenyl)furan

Furan, 3-(4-methyl-3-pentenyl)-

3-(4-methylpent-3-enyl)furan

3-Isohexenylfuran

AM4D4646ZW

Perillen, >90%

UNII-AM4D4646ZW

SCHEMBL310752

CHEBI:74039

3-(4-methyl-3-pentenyl)-furan

DTXSID40202167

XNGKCOFXDHYSGR-UHFFFAOYSA-N

3-(4-Methyl-3-pentenyl)furan #

3-(4-Methyl-pent-3-enyl)-furan

HY-N0827

MFCD28387433

AKOS028108563

AS-82915

3-(4-METHYL-3-PENTEN-1-YL)FURAN

CS-0009859

NS00126669

FURAN, 3-(4-METHYL-3-PENTEN-1-YL)-

A937649

Q15634089

Microorganism:

IUPAC name

3-(4-methylpent-3-enyl)furan

SMILES

CC(=CCCC1=COC=C1)C

Inchi

InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3

Formula

C₁₀H₁₄O

PubChem ID

68316

Molweight

150.22

LogP

3.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers furan derivatives terpenes

CHEBI-ID

74039

Supernatural-ID

SN0434866

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no

Methyl Furan-2-carboxylate

Mass-Spectra

Compound Details

Synonymous names

Methyl 2-furoate

611-13-2

Methyl furan-2-carboxylate

Methyl pyromucate

Methyl 2-furancarboxylate

METHYL FUROATE

2-Furancarboxylic acid, methyl ester

METHYL-2-FUROATE

2-(Methoxycarbonyl)furan

2-FUROIC ACID, METHYL ESTER

Pyromucic acid methyl ester

Methyl 2-furylcarboxylate

2-Furancarboxylic Acid Methyl Ester

Furoic acid, methyl ester

FEMA No. 2703

Furancarboxylic acid, methyl ester

2-Furoic acid methyl ester

NSC 35551

MFCD00003236

O9A8D29YDE

furan-2-carboxylic acid methyl ester

NSC-35551

methyl2-furoate,

CCRIS 2158

EINECS 210-254-6

UNII-O9A8D29YDE

BRN 0111110

AI3-23585

2-methyl furate

Methyl alpha-furoate

Methyl 2-furoate ,

METHYL2-FUROATE

Methyl .alpha.-furoate

Furoic acid methyl ester

Methylfuran-2-carboxylate

methyl uran-2-carboxylate

Methyl 2-furoate, 98%

WLN: T5OJ BVO1

METHYL FUROATE [FCC]

5-18-06-00103 (Beilstein Handbook Reference)

METHYL FUROATE [FHFI]

SCHEMBL363937

METHYL 2-FUROATE [MI]

DTXSID7060598

FEMA 2703

CHEBI:167081

Methyl 2-furoate, >=98%, FG

HY-Y0949

NSC35551

2-furan carboxylic acid methyl ester

s5636

STK397389

AKOS000120062

CCG-266097

CS-W020101

MCULE-5445948487

Methyl 2-furoate, natural, 99%, FG

Furan-alpha-carboxylic acid methyl ester

AS-14803

Furan-.alpha.-carboxylic acid methyl ester

DB-003714

AM20100488

F0075

NS00012896

EN300-15493

D78223

Q-100703

Q22083556

Z19719727

F0001-1604

Microorganism:

Yes

IUPAC name

methyl furan-2-carboxylate

SMILES

COC(=O)C1=CC=CO1

Inchi

InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3

Formula

C₆H₆O₃

PubChem ID

11902

Molweight

126.11

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds esters ethers furan derivatives heterocyclic compounds

CHEBI-ID

167081

Supernatural-ID

SN0122567

mVOC Specific Details

Boiling Point

Degree	Reference
181 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007744

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009048

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Tuberculosis	NA	NA	Nawrath et al. 2012
Prokaryota	Loktanella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
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
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Hawaiiensis	NA	NA	Ljunggren et al. 2019
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Tuberculosis	7H11	GC-MS	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	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
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
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Hawaiiensis	liquid YPD medium	GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	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

Ethyl Furan-3-carboxylate

Compound Details

Synonymous names

Ethyl 3-furoate

ethyl furan-3-carboxylate

614-98-2

Ethyl 3-Furancarboxylate

3-Furancarboxylic acid, ethyl ester

I8Q0YN919K

3-Furancarboxylic Acid Ethyl Ester

MFCD00005348

NSC-349939

ETHYL-3-FUROATE

UNII-I8Q0YN919K

ethyl 3furoate

EINECS 210-403-5

Furan-3-carboxylic acid ethyl ester

ETHYL3-FUROATE

ethylfuran-3-carboxylate

ethyl uran-3-carboxylate

Ethyl 3-furoate, 98%

3-Furoic Acid Ethyl Ester

SCHEMBL624090

DTXSID90210333

CHEBI:193961

GEO-03433

NSC349939

AKOS009165562

CS-W020542

MCULE-6706151358

NSC 349939

SB61197

AC-25743

SY050805

TS-01823

DB-004230

F0463

NS00034707

EN300-171655

N11964

J-800083

Q27280581

InChI=1/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H

Microorganism:

Yes

IUPAC name

ethyl furan-3-carboxylate

SMILES

CCOC(=O)C1=COC=C1

Inchi

InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3

Formula

C₇H₈O₃

PubChem ID

69201

Molweight

140.14

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds esters ethers furan derivatives heterocyclic compounds

CHEBI-ID

193961

Supernatural-ID

SN0210926

mVOC Specific Details

Species emitting the compound

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

Method

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

N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide

Compound Details

Synonymous names

N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide

IUVDTSFQJOFWAJ-UHFFFAOYSA-N

STK736508

AKOS001403176

MCULE-6021741822

N-[2-(2-furyl)ethyl]thiophene-2-carboxamide

2-Thiophenecarboxamide, N-[2-(2-furanyl)ethyl]-

Z32866046

Microorganism:

Yes

IUPAC name

N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide

SMILES

C1=COC(=C1)CCNC(=O)C2=CC=CS2

Inchi

InChI=1S/C11H11NO2S/c13-11(10-4-2-8-15-10)12-6-5-9-3-1-7-14-9/h1-4,7-8H,5-6H2,(H,12,13)

Formula

C₁₁H₁₁NO₂S

PubChem ID

5305681

Molweight

221.28

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amides heterocyclic compounds ethers sulfur compounds nitrogen compounds thioethers amines aromatic compounds furan derivatives

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

Furan-2-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names

FURFURAL

2-Furaldehyde

furan-2-carbaldehyde

98-01-1

2-Furancarboxaldehyde

Furaldehyde

Furfuraldehyde

Fural

2-Formylfuran

2-Furanaldehyde

2-Furancarbonal

Furancarbonal

Furfurole

2-Furfural

Furfurylaldehyde

2-Furfuraldehyde

Pyromucic aldehyde

Furale

Furole

Furol

2-Furylaldehyde

2-Furylcarboxaldehyde

2-Furyl-methanal

Furfurale

Furyl-methanal

2-Furylmethanal

2-Furil-metanale

Furan-2-carboxaldehyde

2-furancarbaldehyde

Quakeral

Fufural

alpha-Furole

2-Formylofuran

2-Formyl furan

2-Furankarbaldehyd

Nci-C56177

alpha-Furfuraldehyde

Furfural (natural)

Rcra waste number U125

Furaldehydes

Caswell No. 466

FEMA No. 2489

furan-2-aldehyde

NSC 8841

CCRIS 1044

HSDB 542

CHEBI:34768

UNII-DJ1HGI319P

.alpha.-Furole

EINECS 202-627-7

DJ1HGI319P

MFCD00003229

EPA Pesticide Chemical Code 043301

BRN 0105755

2-furancarboxyaldehyde

DTXSID1020647

AI3-04466

NSC-8841

DTXCID50647

EC 202-627-7

5-17-09-00292 (Beilstein Handbook Reference)

NCGC00091328-01

FURFURAL (IARC)

FURFURAL [IARC]

Furfurale [Italian]

2-Formylofuran [Polish]

2-Furankarbaldehyd [Czech]

CAS-98-01-1

2-Furil-metanale [Italian]

UN1199

RCRA waste no. U125

Hydrojasmal

Furfuralu

a-furfuraldehyde

Qo furfural

a-Furole

alpha-furaldehyde

2-furanal

Furfural ACS grade

furan-2 carbaldehyde

FURFURALDEHYDES

Furfural, 99%

2-Furaldehyde, 8CI

2-furan-carboxaldehyde

2-Furanocarboxyaldehyde

FURFURAL [FHFI]

FURFURAL [HSDB]

FURFURAL [INCI]

FURFURAL [FCC]

FURFURAL [MI]

2-Furylaldehyde xypropane

U1199

WLN: T5OJ BVH

BIDD:ER0698

FURAL/PYROMUCIC ALDEHYDE

Furfural, ACS reagent, 99%

CHEMBL189362

QSPL 006

QSPL 102

FEMA 2489

Furan-2-carbaldehyde (Furfural)

NSC8841

Furfural, >=98%, FCC, FG

Furfural, for synthesis, 98.0%

STR00358

Tox21_111114

Tox21_202191

Tox21_300170

BDBM50486229

Furaldehydes [UN1199] [Poison]

STL283124

AKOS000118907

AM81812

Furfural, analytical reference material

MCULE-5757882837

Furfural 100 microg/mL in Acetonitrile

USEPA/OPP Pesticide Code: 043301

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

Furfural, SAJ first grade, >=99.0%

NCGC00091328-02

NCGC00091328-03

NCGC00091328-04

NCGC00253954-01

NCGC00259740-01

BP-31002

DB-003668

CS-0015696

F0073

NS00003316

EN300-18110

ASCORBIC ACID IMPURITY A [EP IMPURITY]

A845786

Q412429

F1294-0048

InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4

furfural; furfuraldehyde; furfurol; 2-furaldehyde; 2-furancarboxaldehyde; furan-2-carboxaldehyde

Microorganism:

Yes

IUPAC name

furan-2-carbaldehyde

SMILES

C1=COC(=C1)C=O

Inchi

InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

Formula

C₅H₄O₂

PubChem ID

7362

Molweight

96.08

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aldehydes furan derivatives

CHEBI-ID

34768

Supernatural-ID

SN0138568

mVOC Specific Details

Boiling Point

Degree	Reference
161.7 °C peer reviewed

Volatilization

The Henry's Law constant for furfural is estimated as 3.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and water solubility, 7.41X10+4 mg/L(2). This Henry's Law constant indicates that furfural 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 9.6 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 73 days(SRC). Furfural's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furfural from dry soil surfaces may exist(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) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 140 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of furfural is estimated as 40(SRC), using a log Kow of 0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfural 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. 11 (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
2.21 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 63973

MS-MS Spectrum 121019

MS-MS Spectrum 121017

MS-MS Spectrum 63972

MS-MS Spectrum 121018

MS-MS Spectrum 63974

1D-NMR-Links

1D NMR Spectrum 4008

1D NMR Spectrum 4295

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004917

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005200

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007324

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008700

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Staphylococcus Epidermidis		DSMZ - Deutsche Sammlung von Mikroorganismen und Zellkulturen	Verhulst et al. 2009
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
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	Fusarium Culmorum	na	sandy dune soil, Netherlands	Schmidt et al. 2015
Eukaryota	Ceratocystis Sp.	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Eukaryota	Thielaviopsis Basicola	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Eukaryota	Puccinia Graminis	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
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	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	blood agar	GC-MS	no
Prokaryota	Bacillus Cereus	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sordidicola	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Fusarium Culmorum	water agar supplied with artificial root exudates	GC/MS-Q-TOF	no
Eukaryota	Ceratocystis Sp.	n/a	n/a	no
Eukaryota	Thielaviopsis Basicola	n/a	n/a	no
Eukaryota	Puccinia Graminis	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Eukaryota	Fomitopsis Pinicola	na	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	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(E)-3-(furan-2-yl)-2-methylprop-2-enal

Compound Details

Synonymous names

2-Methyl-3-(2-furyl)propenal

874-66-8

alpha-Methyl-2-furanacrolein

alpha-Methylfurylacrolein

108576-21-2

2-Methyl-3-(2-furyl)acrolein

Furfurylidene-2-propanal

Furfurylidine-2-propanal

2-Methyl-3-furylacrolein

2-Furfurylidenepropionaldehyde

3-(2-Furanyl)-2-methyl-2-propenal

3-(2-Furyl)methacrylaldehyde

(2E)-3-(furan-2-yl)-2-methylprop-2-enal

2-Methyl-3-(2-furyl)-2-propenal

alpha-Methyl-beta-(2-furyl)acrolein

2-methyl-3(2-furyl)acrolein

3-(Furan-2-yl)-2-methylacrylaldehyde

(E)-3-(2-furyl)-2-methyl-2-propenal

FEMA No. 2704

cinnamon acrolein

2-PROPENAL, 3-(2-FURANYL)-2-METHYL-

65U4YZ14MX

UNII-65U4YZ14MX

2-Furanacrolein, alpha-methyl-

EINECS 212-866-9

a-methyl-b-furylacrolein

(E)-3-(furan-2-yl)-2-methylprop-2-enal

2-Methyl-3-Furanacrolein

3-Furanacrolein, 2-methyl-

SCHEMBL873405

a-Methyl-2-furanacrolein, 8CI

FEMA 2704

CHEBI:178974

MFCD00063240

AKOS000289059

AS-76409

(2E)-3-(2-furyl)-2-methyl-2-propenal

(E)-3-(uran-2-yl)-2-methylprop-2-enal

(E)-3-(Furan-2-yl)-2-methylacrylaldehyde

CS-0235928

EN300-1654368

Z3061414163

Microorganism:

IUPAC name

(E)-3-(furan-2-yl)-2-methylprop-2-enal

SMILES

CC(=CC1=CC=CO1)C=O

Inchi

InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+

Formula

C₈H₈O₂

PubChem ID

6210220

Molweight

136.15

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic aldehydes aromatic compounds aldehydes ethers furan derivatives heterocyclic compounds

CHEBI-ID

178974

Supernatural-ID

SN0474911-01

mVOC Specific Details

Boiling Point

Degree	Reference
110 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Cryptococcus Sp.	artificial nectar media	GC-MS	no

Results for: chemical Classification: furan derivatives

2-methylfuran-3-thiol

Compound Details

mVOC Specific Details

2-ethenylfuran

Compound Details

mVOC Specific Details

2-[furan-2-yl-(pyrimidin-2-ylamino)methyl]phenol

Compound Details

mVOC Specific Details

1-(3-hydroxyfuran-2-yl)ethanone

Compound Details

mVOC Specific Details

Furan-2-ylmethyl Acetate

Compound Details

mVOC Specific Details

Furan-2-ylmethyl 3-methylbutanoate

Compound Details

mVOC Specific Details

Methyl 2,5-dimethylfuran-3-carboxylate

Compound Details

mVOC Specific Details

2-methyl-3-methylsulfanylfuran

Compound Details

mVOC Specific Details

1-(3,5-dimethylfuran-2-yl)ethanone

Compound Details

mVOC Specific Details

3-phenylfuran

Compound Details

mVOC Specific Details

2-methyl-1-benzofuran

Compound Details

mVOC Specific Details

Furan-2-carbohydrazide

Compound Details

mVOC Specific Details

2-[(E)-[3-(N,2-dimethylanilino)-1-benzofuran-2-yl]iminomethyl]phenol

Compound Details

mVOC Specific Details

3-(4-methylpent-3-enyl)furan

Compound Details

mVOC Specific Details

Methyl Furan-2-carboxylate

Compound Details

mVOC Specific Details

4-(furan-3-yl)benzaldehyde

Compound Details

mVOC Specific Details

Ethyl Furan-3-carboxylate

Compound Details

mVOC Specific Details

N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide

Compound Details

mVOC Specific Details

Furan-2-carbaldehyde

Compound Details

mVOC Specific Details

(E)-3-(furan-2-yl)-2-methylprop-2-enal

Compound Details

mVOC Specific Details

Results for:
chemical Classification: furan derivatives