Results for:
PubChem ID: 8369

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 name3-hydroxy-2-methylpyran-4-one
SMILESCC1=C(C(=O)C=CO1)O
InchiInChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
FormulaC6H6O3
PubChem ID8369
Molweight126.11
LogP0.4
Atoms9
Bonds0
H-bond Acceptor3
H-bond Donor1
Chemical Classificationpyranones alcohols ketones nitrogen compounds ethers heterocyclic compounds
CHEBI-ID69438
Supernatural-IDSN0436227

mVOC Specific Details

Boiling Point
DegreeReference
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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno