UCSF

ZINC00164488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 3-Hydroxy-2-methyl-4H-pyran-4-one 3-Hydroxy-2-methyl-4H-pyran-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108817-35-2 , 118-71-8 , [118-71-8]

Other Names:

"Maltol, 99%"

1-chlorocyclopropanecarboxylic acid

118-71-8; C11918; Maltol

2-hydroxy-3-methyl-4H-pyran-4-one (maltol); 2-Methyl pyromeconic acid; 2-methyl-3-hydroxy-4-pyranone (maltol); 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; 2-Methyl-3-oxy-« 3-Hydroxy-2-methyl-« 3-Hydroxy-2-methyl-1,4-pyrone; 3-Hydrox

2-Hydroxy-3-methyl-4H-pyran-4-one;2-Methyl pyromeconic acid;2-Methyl-3-hydroxy-4-pyranone;2-Methyl-3-hydroxy-4-pyrone;2-Methyl-3-hydroxypyrone;2-Methyl-3-oxy-gamma-pyrone;3-Hydroxy-2-methyl-1,4-pyrone;3-Hydroxy-2-methyl-4-pyranone;3-Hydroxy-2-methyl-4-pyr

2-Methyl pyromeconic acid; 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; 2-Methyl-3-oxy-gamma-pyrone; 2-Methylpyromeconic acid; 3-Hydroxy-2-methyl-.gamma.-pyrone; 3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-4H-pyran-4-one; 3-Hydroxy-2-methyl-

2-Methyl pyromeconic acid; 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; 2-Methyl-3-oxy-gamma-pyrone; 2-Methylpyromeconic acid; 3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-4H-pyran-4-one; 3-Hydroxy-2-methyl-gamma-pyrone; 4H-Pyran-4-one, 3-hyd

3-Hydroxy-2-methyl-4-pyrone

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

3-Hydroxy-2-methyl-4-pyrone; CPD000059093; Maltol; SAM001246871

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

Aluminum maltol; Aluminum maltol complex; Aluminum maltolate; Aluminum, tris(3-(hydroxy-kappaO)-2-methyl-4H-pyran-4-onato-kappaO4)-, (OC-6-21)-; Aluminum, tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O(3),O(4))-, (OC-6-21)-; Aluminum, tris(3-hydroxy-2-methyl-

BMOV(IV); C12H6O11V; LS-174717; Vanadium, bis(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)oxo-, (SP-5-31)-; bis(maltolato)oxovanadium(IV)

CPD000059093; 3-Hydroxy-2-methyl-4-pyrone; 118-71-8

CPD000059093; MALTOL; SAM001246871

larixinic acid

LS-190081

Maltol

Maltol (NF)

Maltol FCC IV

Maltol [118-71-8]; (3-Hydroxy-2-methyl-4-pyrone)

MALTOL; [118-71-8]

Methylmaltol

MFCD00006578

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.24 1.26 -10.05 1 3 0 50 126.111 0 ↓
Hi High (pH 8-9.5) -0.24 2.07 -54.06 0 3 -1 53 125.103 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 160 - 164 Acros Organics
MP 160-164 °C(lit.) Indofine
Melting_Point 161-165? Alfa-Aesar
Melting_Point 161-165° Alfa-Aesar
MP 162 TCI
BP [°C] 170 (p=100 torr) Acros Organics
Boiling_Point 170?/100mm Alfa-Aesar
Boiling_Point 170°/100mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
SOLUBILITY methanol: 50 mg/mL, clear Indofine
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : H43407 NIH Clinical Collection via PubChem
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: H43407 NIH Clinical Collection via PubChem
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.