Results for:
chemical Classification: pyranones

3-hydroxy-2-methylpyran-4-one

Compound Details

Synonymous names

MALTOL

118-71-8

3-Hydroxy-2-methyl-4-pyrone

3-Hydroxy-2-methyl-4H-pyran-4-one

Larixinic acid

Palatone

Talmon

Larixic acid

Vetol

Veltol

Corps praline

4H-Pyran-4-one, 3-hydroxy-2-methyl-

3-hydroxy-2-methylpyran-4-one

2-Methyl pyromeconic acid

2-Methylpyromeconic acid

2-Methyl-3-hydroxy-4-pyrone

2-Methyl-3-hydroxypyrone

Maltol (natural)

3-Hydroxy-2-methyl-gamma-pyrone

2-Methyl-3-oxy-gamma-pyrone

FEMA No. 2656

3-Hydroxy-2-methylpyrone

3-Hydroxy-2-methyl-pyran-4-one

MFCD00006578

NSC 2829

2-methyl-3-hydroxy-4-pyranone

3-Hydroxy-2-methyl-4-pyranone

CHEBI:69438

NSC2829

3-Hydroxy-2-methyl-1,4-pyrone

Ins no.636

NSC-2829

3-Hydroxy-2-methyl-.gamma.-pyrone

NSC-404458

Ins-636

MLS000069412

3A9RD92BS4

DTXSID0025523

5-Hydroxy-6-methyl-4H-pyran-4-one

Maltol (3-Hydroxy-2-methyl-4-pyrone)

E636

SMR000059093

E-636

DTXCID305523

WLN: T6O DVJ B1 CQ

CAS-118-71-8

Maltol [NF]

CCRIS 3467

EINECS 204-271-8

BRN 0112169

UNII-3A9RD92BS4

Methylmaltol

methyl maltol

Laricinic acid

AI3-18547

3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-pyran-4-one; Maltol; Deferiprone Impurity B

Spectrum_001419

Opera_ID_338

SpecPlus_000443

MALTOL [FHFI]

MALTOL [INCI]

MALTOL [FCC]

MALTOL [USP-RS]

Spectrum2_001795

Spectrum3_001351

Spectrum4_001871

Spectrum5_000462

MALTOL [II]

MALTOL [MI]

MALTOL [MART.]

bmse000538

Maltol, analytical standard

SCHEMBL4815

3-Hydroxy-2-pyran-4-one

BSPBio_003161

KBioGR_002365

KBioSS_001899

SPECTRUM310025

5-18-01-00114 (Beilstein Handbook Reference)

MLS001424145

MLS002415738

3-Hydroxy-2-methyl-g-pyrone

CHEMBL31422

DivK1c_006539

3-hydroxy-2-methylpyr-4-one

SPBio_001749

QSPL 180

2-Methyl-3-oxy-.gamma.-pyrone

3-hydroxy-2-methyl-4-oxopyrane

3-hydroxyl-2-methyl-4-pyranone

FEMA 2656

HSDB 8320

KBio1_001483

KBio2_001899

KBio2_004467

KBio2_007035

KBio3_002381

XPCTZQVDEJYUGT-UHFFFAOYSA-

3-hydroxy-2-methyl-gamma -pyrone

HMS2052K09

HMS3394K09

KUC106764N

STR01642

Tox21_202215

Tox21_300118

BBL011669

BDBM50227434

CCG-38443

Maltol, natural, >=98.5%, FG

NSC404458

s4940

STK801686

2-methyl-3-hydroxy-4H-pyran-4-one

Maltol, >=99.0%, FCC, FG

3-Hydroxy-2-methyl-4-pyrone, 99%

AKOS005607790

CS-W013504

HY-W012788

MCULE-2376032845

NC00350

PS-4578

SDCCGMLS-0066563.P001

NCGC00091223-01

NCGC00091223-02

NCGC00091223-03

NCGC00091223-04

NCGC00091223-05

NCGC00178231-01

NCGC00254046-01

NCGC00259764-01

BP-11468

KSC-11-228-8

NCI60_002320

SY011358

DB-002512

AM20080119

M0673

NS00012803

EN300-93557

A804081

Q420648

SR-01000712383

SR-01000712383-3

W-108539

BRD-K40619305-001-12-1

Z1255382969

Maltol, United States Pharmacopeia (USP) Reference Standard

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

Microorganism:

Yes

IUPAC name

3-hydroxy-2-methylpyran-4-one

SMILES

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

Inchi

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

Formula

C₆H₆O₃

PubChem ID

8369

Molweight

126.11

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

pyranones alcohols ketones nitrogen compounds ethers heterocyclic compounds

CHEBI-ID

69438

Supernatural-ID

SN0436227

mVOC Specific Details

Boiling Point

Degree	Reference
93 °C peer reviewed

Volatilization

The Henry's Law constant for maltol is estimated as 5.0X10-9 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 3.26X10-4 mm Hg(1), and water solubility, 1.09X10+4 mg/L(2). This Henry's Law constant indicates that maltol is expected to be essentially nonvolatile from water surfaces(3). A study measuring the volatility of flavor compounds from water found maltol to be highly non-volatile(4). Maltol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Maltol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1); however, maltol does have a characteristic fragrant odor(5) even though it exists as a solid.

Soil Adsorption

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

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	no

3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one

Compound Details

Synonymous names

28564-83-2

2,3-Dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one

4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-

3,5-Dihydroxy-6-methyl-2H-pyran-4(3H)-one

3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one

3,5-Dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one

RAE1LU40SR

2,3-Dihydro-3,5-dihydroxy-6-methyl-4(H)-pyran-4-one

2,3-Dihydro-3,5-dihydroxy-6-methyl-4-pyrone

dnd-omi 70 nmol/L

CCRIS 8144

UNII-RAE1LU40SR

3-Hydroxy-2,3-dihydromaltol

3,5-dihydroxy-6-methyl-3,4-dihydro-2H-pyran-4-one

SCHEMBL1278394

DTXSID00880920

VOLMSPGWNYJHQQ-UHFFFAOYSA-N

AKOS006279621

DA-18707

CS-0245013

NS00095969

EN300-298133

G70767

3,5-dihydroxy-2-me-thyl-5,6-dihydropyran-4-one

A902158

2,3-dihydro-3,5-dihydroxy--6-methyl-4H-pyran-4-one

Z1198158588

2,3-DIHYDRO-3,5-DIHYDROXY-6- METHYL-4H-PYRAN-4-ONE

Microorganism:

Yes

IUPAC name

3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one

SMILES

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

Inchi

InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3

Formula

C₆H₈O₄

PubChem ID

119838

Molweight

144.12

LogP

-0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

pyranones ethers ketones alcohols

CHEBI-ID

230422

Supernatural-ID

SN0395822

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

6-propylpyran-2-one

Compound Details

Synonymous names

6-propyl-2h-pyran-2-one

6-propylpyran-2-one

2H-Pyran-2-one, 6-propyl-

5247-93-8

BCB02_000145

SCHEMBL981554

DTXSID50425002

CHEBI:216240

BCB03_000242

Microorganism:

IUPAC name

6-propylpyran-2-one

SMILES

CCCC1=CC=CC(=O)O1

Inchi

InChI=1S/C8H10O2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3

Formula

C₈H₁₀O₂

PubChem ID

6610108

Molweight

138.16

LogP

1.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

lactones esters pyranones heterocyclic compounds

CHEBI-ID

216240

Supernatural-ID

SN0066986

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Sp.		NA	Wickel et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Sp.			no

6-pentylpyran-2-one

Mass-Spectra

Compound Details

Synonymous names

6-Pentyl-2H-pyran-2-one

27593-23-3

6-Amyl-alpha-pyrone

6-Pentyl-2-pyrone

6-pentylpyran-2-one

2H-Pyran-2-one, 6-pentyl-

6-Amyl-2-pyrone

6-PENTYL-ALPHA-PYRONE

6-Amyl-A-pyrone

6-Amyl-.alpha.-pyrone

FEMA No. 3696

2-Pyrone, 6-pentyl

6-pentyl-pyran-2-one

5-Hydroxy-2,4-decadienoic acid delta-lactone

6-n-pentyl-alpha-pyrone

8JTW8HL4PJ

DTXSID0047589

CHEBI:66729

NSC-721361

5-hydroxy-2,4-decadienoic acid gamma-lactone

UNII-8JTW8HL4PJ

6-amyl-?-pyrone

6-pentyl-a-pyrone

EINECS 248-552-3

NSC721361

6-Amyl-alpha -pyrone

6-Pentyl-alpha -pyrone

2,4-Decadien-5-olide

6-N-Amyl alpha -pyrone

6-Pentyl-.alpha.-pyrone

alpha -Pyrone, 6-pentyl

6-N-Amyl .alpha.-pyrone

Pyran-2-one, 6-pentyl-

.alpha.-Pyrone, 6-pentyl

6-n-pentyl-2h-pyran-2-one

SCHEMBL968257

CHEMBL503899

DTXCID8027589

FEMA 3696

Tox21_302570

MFCD00047551

6-Amyl-alpha-pyrone, >=96%, FG

AKOS015839660

MCULE-5618749422

NSC 721361

NCGC00256764-01

AS-58448

NCI60_041518

5-Hydroxy-2,4-decadienoic acid D-lactone

CAS-27593-23-3

DB-047250

NS00021098

T70705

Q27135350

5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE

5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE [FHFI]

2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, .DELTA.-LACTONE

Microorganism:

IUPAC name

6-pentylpyran-2-one

SMILES

CCCCCC1=CC=CC(=O)O1

Inchi

InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3

Formula

C₁₀H₁₄O₂

PubChem ID

33960

Molweight

166.22

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

lactones heterocyclic compounds pyranones esters

CHEBI-ID

66729

Supernatural-ID

SN0220609

mVOC Specific Details

Boiling Point

Degree	Reference
285 median

MS-Links

MS-MS Spectrum 156069

MS-MS Spectrum 156070

MS-MS Spectrum 156071

MS-MS Spectrum 92451

MS-MS Spectrum 92453

MS-MS Spectrum 92452

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005663

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007766

Massbank Spectrum MSBNK-LCSB-LU079501

Massbank Spectrum MSBNK-LCSB-LU079502

Massbank Spectrum MSBNK-LCSB-LU079503

Massbank Spectrum MSBNK-LCSB-LU079504

Massbank Spectrum MSBNK-LCSB-LU079505

Massbank Spectrum MSBNK-LCSB-LU079506

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Asperellum		rhizosphere of maize cultivated in Ismailia,Egypt	Kottb et al. 2015
Eukaryota	Trichoderma Asperellum	virulence against Tetranychus urticae Koch (spider mite)	isolated from the rhizosphere of Zea mays at Ismailia, Egypt	Sholla & Kottb 2017
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Eukaryota	Trichoderma Asperellum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Cotxarrera et al., 2002	Lazazzara et al. 2021
Eukaryota	Trichoderma Atroviride	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Pertot et al., 2008	Lazazzara et al. 2021
Eukaryota	Trichoderma Harzianum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Eladet al., 1997	Lazazzara et al. 2021
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Viride		NA	Collinsand Halim 1972
Eukaryota	Trichoderma Sp.		NA	Dickschat 2017
Eukaryota	Gloeosporium Sp.		NA	Schaible et al. 2015
Eukaryota	Aspergillus Sp.		NA	Kikuchi et al. 1974
Eukaryota	Fusarium Solani		NA	Nago et al. 1993
Eukaryota	Fistulina Hepatica		NA	Wu et al. 2005
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Asperellum	nutrient broth agar	Super Q / GC/MS	yes
Eukaryota	Trichoderma Asperellum	broth media	GC-MS	yes
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Viride			no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Gloeosporium Sp.			no
Eukaryota	Aspergillus Sp.			no
Eukaryota	Fusarium Solani			no
Eukaryota	Fistulina Hepatica			no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no

6-heptylpyran-2-one

Compound Details

Synonymous names

6-Heptyl-2H-pyran-2-one

6-heptyl-2-pyrone

6-heptylpyran-2-one

SCHEMBL11774947

CHEBI:198716

Microorganism:

IUPAC name

6-heptylpyran-2-one

SMILES

CCCCCCCC1=CC=CC(=O)O1

Inchi

InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,9-10H,2-6,8H2,1H3

Formula

C₁₂H₁₈O₂

PubChem ID

12271150

Molweight

194.27

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

lactones heterocyclic compounds pyranones esters

CHEBI-ID

198716

Supernatural-ID

SN0280796

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Koningii		NA	Simon et al. 1988

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Koningii			no

(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

Compound Details

Synonymous names

Mellein

480-33-1

(-)-Mellein

(3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one

(R)-mellein

(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

Y30Y67M5SV

(R)-(-)-Mellein

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-, (3R)-

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-, (R)-

UNII-Y30Y67M5SV

(3R)-8-HYDROXY-3-METHYL-ISOCHROMAN-1-ONE

(-)-(R)-MELLEIN

CHEMBL499303

(R)-3,4-Dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one; (R)-Mellein

SCHEMBL13925629

KWILGNNWGSNMPA-ZCFIWIBFSA-N

HY-N3300

BDBM50524013

AKOS025295360

(R)-8-Hydroxy-3-methylisochroman-1-one

1ST162841

CS-0023847

EN300-8234474

A937445

3,4-dihydro-8-hydroxy-3-methyl-(r)-1h-2-benzopyran-1-one

8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one, (R)-

(R)-(-)-8-Hydroxy-3-methyl-3,4-dihydro-lH-2-benzopyran-l-one

Microorganism:

Yes

IUPAC name

(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

SMILES

CC1CC2=C(C(=CC=C2)O)C(=O)O1

Inchi

InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1

Formula

C₁₀H₁₀O₃

PubChem ID

114679

Molweight

178.18

LogP

2.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids alcohols heterocyclic compounds lactones phenols pyranones

Supernatural-ID

SN0197213-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Origin/Habitat	Reference
Eukaryota	Aspergillus Sp.	NA	Jelen and Grabarkiewicz-Szczesna 2005
Eukaryota	Parastagonospora Nodorum	NA	Chooi et al. 2015
Prokaryota	Saccharopolyspora Erythraea	NA	Sun et al. 2012
Eukaryota	Lasiodiplodia Theobromae	NA	Matsumoto and Nago 1994

Method

Kingdom	Species	Verification
Eukaryota	Aspergillus Sp.	no
Eukaryota	Parastagonospora Nodorum	no
Prokaryota	Saccharopolyspora Erythraea	no
Eukaryota	Lasiodiplodia Theobromae	no

Results for: chemical Classification: pyranones

3-hydroxy-2-methylpyran-4-one

Compound Details

mVOC Specific Details

3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one

Compound Details

mVOC Specific Details

6-propylpyran-2-one

Compound Details

mVOC Specific Details

6-pentylpyran-2-one

Compound Details

mVOC Specific Details

6-heptylpyran-2-one

Compound Details

mVOC Specific Details

(3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

Compound Details

mVOC Specific Details

Results for:
chemical Classification: pyranones