5-Hydroxymaltol

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  • Identifiers

    CAS number
    1073-96-7

    Molecular formula
    C6H6O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 73.09%
    Caramellic 70.7%
    Sweet 56.34%
    Burnt 54.63%
    Strawberry 42.43%
    Berry 34.99%
    Phenolic 25.87%
    Roasted 22.26%
    Tropical 21.12%
    Coffee 19.93%

     

    Flavor
    Sweet 60.15%
    Fruity 46.58%
    Caramel 43.96%
    Bitter 37.94%
    Almond 33.65%
    Phenolic 32.78%
    Bread 31.48%
    Creamy 29.52%
    Baked 28.09%
    Candy 27.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    9.54 (weak base)

    Molecular weight
    142.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Melting point expt.

    • 184 - 184.5 °C

    Flash point

    • 124.06 ˚C est.

  • Synonyms

    • 5-Hydroxymaltol
    • 3,5-Dihydroxy-2-methyl-4H-pyran-4-one
    • 4H-Pyran-4-one, 3,5-dihydroxy-2-methyl-
    • 3,5-dihydroxy-2-methylpyran-4-one
    • DBQ2Q3Z4FR
    • PYRONE 1
    • UNII-DBQ2Q3Z4FR
    • Pentamethyl-Cyclopentaphosphane
    • DTXSID50148002
    • 3,5-Dihydroxy-2-methyl-4H-pyran-4-one (hydroxymaltol)
    • RefChem:102896
    • DTXCID0070493
    • 823-955-2
    • SSSNQLHKSUJJTE-UHFFFAOYSA-N
    • 1073-96-7
    • hydroxymaltol
    • 3,5-Dihydroxy-2-methyl-4-pyrone
    • 4H-Pyran-4-one,3,5-dihydroxy-2-methyl-
    • 2-Methyl-3,5-dihydroxy-4H-pyran-4-one
    • 3,5-Dihydroxy-6-methyl-4-pyrone
    • SCHEMBL3130251
    • CHEBI:179105
    • AKOS006326268
    • EN300-1601086
    • Q4639613
    • 1073-96-7

  • Applications

    5-Hydroxymaltol (CAS 1073-96-7) is used as an odorant and fragrance ingredient in perfumery and cosmetics, and may function as a fragrance fixative in formulations. It serves as an intermediate for the synthesis of maltol derivatives in chemical manufacturing. It may be evaluated as a flavor precursor or aroma compound in flavor and fragrance applications. It can act as a chelating agent to help stabilize metal ions in additive systems, depending on formulation and local regulations. It can serve as a building block for specialty polymers or coatings in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.96
    methanol 70.07
    isopropanol 32.58
    water 11.88
    ethyl acetate 28.56
    n-propanol 33.84
    acetone 65.04
    n-butanol 26.53
    acetonitrile 18.22
    DMF 234.56
    toluene 3.01
    isobutanol 21.47
    1,4-dioxane 78.39
    methyl acetate 38.5
    THF 167.01
    2-butanone 46.65
    n-pentanol 24.88
    sec-butanol 30.12
    n-hexane 1.28
    ethylene glycol 90.19
    NMP 112.71
    cyclohexane 1.15
    DMSO 629.92
    n-butyl acetate 18.55
    n-octanol 21.09
    chloroform 7.02
    n-propyl acetate 18.37
    acetic acid 29.45
    dichloromethane 11.99
    cyclohexanone 37.56
    propylene glycol 35.1
    isopropyl acetate 18.44
    DMAc 181.82
    2-ethoxyethanol 103.11
    isopentanol 25.13
    n-heptane 2.75
    ethyl formate 32.08
    1,2-dichloroethane 21.24
    n-hexanol 26.73
    2-methoxyethanol 157.25
    isobutyl acetate 7.41
    tetrachloromethane 3.85
    n-pentyl acetate 16.84
    transcutol 86.74
    n-heptanol 21.88
    ethylbenzene 4.23
    MIBK 26.24
    2-propoxyethanol 71.48
    tert-butanol 58.44
    MTBE 31.73
    2-butoxyethanol 46.39
    propionic acid 26.28
    o-xylene 6.81
    formic acid 85.76
    diethyl ether 21.62
    m-xylene 5.63
    p-xylene 5.43
    chlorobenzene 4.46
    dimethyl carbonate 29.62
    n-octane 1.72
    formamide 133.06
    cyclopentanone 68.45
    2-pentanone 36.83
    anisole 17.85
    cyclopentyl methyl ether 31.81
    gamma-butyrolactone 92.65
    1-methoxy-2-propanol 95.38
    pyridine 19.59
    3-pentanone 25.94
    furfural 68.84
    n-dodecane 1.69
    diethylene glycol 103.8
    diisopropyl ether 8.73
    tert-amyl alcohol 48.8
    acetylacetone 50.68
    n-hexadecane 1.84
    acetophenone 21.77
    methyl propionate 38.33
    isopentyl acetate 17.15
    trichloroethylene 22.91
    n-nonanol 19.6
    cyclohexanol 20.15
    benzyl alcohol 19.78
    2-ethylhexanol 16.09
    isooctanol 17.33
    dipropyl ether 15.09
    1,2-dichlorobenzene 6.76
    ethyl lactate 24.76
    propylene carbonate 31.09
    n-methylformamide 111.73
    2-pentanol 21.96
    n-pentane 1.5
    1-propoxy-2-propanol 47.01
    1-methoxy-2-propyl acetate 32.79
    2-(2-methoxypropoxy) propanol 42.98
    mesitylene 5.42
    ε-caprolactone 34.59
    p-cymene 7.02
    epichlorohydrin 93.13
    1,1,1-trichloroethane 9.06
    2-aminoethanol 68.79
    morpholine-4-carbaldehyde 119.33
    sulfolane 187.65
    2,2,4-trimethylpentane 1.88
    2-methyltetrahydrofuran 52.95
    n-hexyl acetate 21.93
    isooctane 1.46
    2-(2-butoxyethoxy)ethanol 54.71
    sec-butyl acetate 11.21
    tert-butyl acetate 27.93
    decalin 1.35
    glycerin 89.69
    diglyme 96.53
    acrylic acid 26.52
    isopropyl myristate 11.42
    n-butyric acid 24.65
    acetyl acetate 14.19
    di(2-ethylhexyl) phthalate 11.93
    ethyl propionate 19.32
    nitromethane 93.12
    1,2-diethoxyethane 27.05
    benzonitrile 12.35
    trioctyl phosphate 11.91
    1-bromopropane 8.74
    gamma-valerolactone 91.81
    n-decanol 15.45
    triethyl phosphate 14.31
    4-methyl-2-pentanol 16.67
    propionitrile 15.84
    vinylene carbonate 24.04
    1,1,2-trichlorotrifluoroethane 71.52
    DMS 18.94
    cumene 4.54
    2-octanol 15.73
    2-hexanone 23.58
    octyl acetate 15.83
    limonene 9.84
    1,2-dimethoxyethane 114.97
    ethyl orthosilicate 13.02
    tributyl phosphate 11.16
    diacetone alcohol 59.58
    N,N-dimethylaniline 18.46
    acrylonitrile 26.05
    aniline 10.5
    1,3-propanediol 72.65
    bromobenzene 3.16
    dibromomethane 7.15
    1,1,2,2-tetrachloroethane 23.55
    2-methyl-cyclohexyl acetate 15.24
    tetrabutyl urea 18.55
    diisobutyl methanol 13.07
    2-phenylethanol 22.4
    styrene 3.69
    dioctyl adipate 15.54
    dimethyl sulfate 83.09
    ethyl butyrate 17.18
    methyl lactate 44.26
    butyl lactate 18.17
    diethyl carbonate 12.1
    propanediol butyl ether 37.15
    triethyl orthoformate 14.64
    p-tert-butyltoluene 7.67
    methyl 4-tert-butylbenzoate 29.78
    morpholine 78.72
    tert-butylamine 23.84
    n-dodecanol 11.95
    dimethoxymethane 115.37
    ethylene carbonate 19.86
    cyrene 47.05
    2-ethoxyethyl acetate 24.43
    2-ethylhexyl acetate 12.28
    1,2,4-trichlorobenzene 8.78
    4-methylpyridine 19.1
    dibutyl ether 12.63
    2,6-dimethyl-4-heptanol 13.07
    DEF 60.44
    dimethyl isosorbide 60.91
    tetrachloroethylene 18.97
    eugenol 31.5
    triacetin 21.4
    span 80 28.18
    1,4-butanediol 42.87
    1,1-dichloroethane 9.84
    2-methyl-1-pentanol 20.73
    methyl formate 90.98
    2-methyl-1-butanol 22.91
    n-decane 2.53
    butyronitrile 16.19
    3,7-dimethyl-1-octanol 17.26
    1-chlorooctane 8.44
    1-chlorotetradecane 4.03
    n-nonane 2.26
    undecane 2.06
    tert-butylcyclohexane 1.5
    cyclooctane 0.98
    cyclopentanol 29.37
    tetrahydropyran 29.19
    tert-amyl methyl ether 29.53
    2,5,8-trioxanonane 74.75
    1-hexene 4.01
    2-isopropoxyethanol 53.88
    2,2,2-trifluoroethanol 34.31
    methyl butyrate 27.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction