Isomaltol

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  • Identifiers

    CAS number
    3420-59-5

    Molecular formula
    C6H6O3

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

  • Odor profile

    Fruity 80.8%
    Caramellic 77.44%
    Burnt 52.66%
    Sweet 49.17%
    Strawberry 40.62%
    Berry 40.56%
    Roasted 33.93%
    Nutty 31.58%
    Tropical 30.46%
    Creamy 28.77%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    215°C

    Flash point est.
    91.51 ˚C

  • Synonyms

    • ISOMALTOL
    • 3420-59-5
    • 1-(3-hydroxyfuran-2-yl)ethanone
    • Ethanone, 1-(3-hydroxy-2-furanyl)-
    • 2-acetyl-3-hydroxyfuran
    • Ketone, 3-hydroxy-2-furyl methyl
    • 1-(3-Hydroxy-2-furyl)ethanone
    • UNII-76NST80C38
    • 3-hydroxy-2-furyl methyl ketone
    • 76NST80C38
    • ISOMALTOL [MI]
    • DTXSID10187790
    • 3-hydroxyfuran-2-yl methyl ketone
    • SCHEMBL27812
    • 88511-92-6
    • DTXCID70110281
    • DTXSID301282527
    • 1-(3-Hydroxy-2-furyl)ethanone #
    • DAA42059
    • AKOS025296178
    • 2-(1-Hydroxyethylidene)-3(2H)-furanone
    • HY-126209
    • F95114
    • Q2574472

  • Applications

    Isomaltol (CAS 3420-59-5) is a naturally formed Maillard/thermal sugar reaction flavor with caramel, toasted-bread, and malty notes; it is widely used at low levels as a flavoring and flavor enhancer in confectionery, chocolate, caramel/toffee, baked goods, coffee–cocoa, malt beverages, and savory seasonings such as soy sauce, where it boosts sweetness perception, roasted facets, and gourmand depth. In fine fragrance, candles, and personal care, it imparts warm caramel nuances, masks bitterness, and improves hedonic appeal. In analytics and R&D, it serves as a standard/marker to monitor Maillard progression and flavor profiles for quality control (GC–MS, HPLC, SPME) and as a reference compound in sensory training; it is also employed as an intermediate for pyron-type flavor synthesis and studied for metal-chelation, radical-scavenging, and antioxidant behavior. Isomaltol dissolves well in ethanol/propylene glycol for easy incorporation into liquid flavors and emulsions, with use subject to applicable food and cosmetic flavor regulations in each market.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.99
    methanol 947.23
    isopropanol 354.49
    water 52.26
    ethyl acetate 333.88
    n-propanol 381.16
    acetone 636.75
    n-butanol 289.1
    acetonitrile 503.01
    DMF 1341.19
    toluene 53.25
    isobutanol 249.6
    1,4-dioxane 538.74
    methyl acetate 394.92
    THF 965.65
    2-butanone 347.2
    n-pentanol 238.61
    sec-butanol 250.55
    n-hexane 20.03
    ethylene glycol 326.49
    NMP 681.74
    cyclohexane 16.83
    DMSO 1333.96
    n-butyl acetate 116.31
    n-octanol 98.45
    chloroform 163.73
    n-propyl acetate 187.56
    acetic acid 472.63
    dichloromethane 281.8
    cyclohexanone 272.12
    propylene glycol 190.47
    isopropyl acetate 166.86
    DMAc 633.4
    2-ethoxyethanol 682.03
    isopentanol 230.99
    n-heptane 19.43
    ethyl formate 259.47
    1,2-dichloroethane 264.2
    n-hexanol 135.67
    2-methoxyethanol 1075.58
    isobutyl acetate 102.06
    tetrachloromethane 31.95
    n-pentyl acetate 84.21
    transcutol 745.35
    n-heptanol 68.22
    ethylbenzene 38.66
    MIBK 215.09
    2-propoxyethanol 367.68
    tert-butanol 433.73
    MTBE 249.99
    2-butoxyethanol 153.88
    propionic acid 277.15
    o-xylene 48.38
    formic acid 599.34
    diethyl ether 352.23
    m-xylene 56.54
    p-xylene 48.96
    chlorobenzene 81.36
    dimethyl carbonate 232.14
    n-octane 8.94
    formamide 848.83
    cyclopentanone 473.04
    2-pentanone 338.7
    anisole 166.42
    cyclopentyl methyl ether 325.88
    gamma-butyrolactone 646.31
    1-methoxy-2-propanol 637.98
    pyridine 204.71
    3-pentanone 231.51
    furfural 469.62
    n-dodecane 9.37
    diethylene glycol 417.38
    diisopropyl ether 94.15
    tert-amyl alcohol 273.52
    acetylacetone 367.05
    n-hexadecane 10.2
    acetophenone 140.14
    methyl propionate 342.76
    isopentyl acetate 100.5
    trichloroethylene 299.39
    n-nonanol 86.84
    cyclohexanol 162.7
    benzyl alcohol 141.43
    2-ethylhexanol 75.33
    isooctanol 59.94
    dipropyl ether 123.18
    1,2-dichlorobenzene 80.22
    ethyl lactate 123.74
    propylene carbonate 251.99
    n-methylformamide 807.74
    2-pentanol 201.86
    n-pentane 25.62
    1-propoxy-2-propanol 201.57
    1-methoxy-2-propyl acetate 160.52
    2-(2-methoxypropoxy) propanol 173.86
    mesitylene 40.62
    ε-caprolactone 252.3
    p-cymene 33.69
    epichlorohydrin 662.02
    1,1,1-trichloroethane 130.94
    2-aminoethanol 380.55
    morpholine-4-carbaldehyde 682.54
    sulfolane 722.97
    2,2,4-trimethylpentane 16.91
    2-methyltetrahydrofuran 448.04
    n-hexyl acetate 135.22
    isooctane 14.82
    2-(2-butoxyethoxy)ethanol 249.11
    sec-butyl acetate 113.62
    tert-butyl acetate 205.05
    decalin 14.93
    glycerin 341.93
    diglyme 430.68
    acrylic acid 272.81
    isopropyl myristate 64.72
    n-butyric acid 252.38
    acetyl acetate 153.96
    di(2-ethylhexyl) phthalate 56.06
    ethyl propionate 187.79
    nitromethane 961.3
    1,2-diethoxyethane 222.18
    benzonitrile 143.65
    trioctyl phosphate 49.47
    1-bromopropane 138.84
    gamma-valerolactone 582.7
    n-decanol 66.89
    triethyl phosphate 69.89
    4-methyl-2-pentanol 122.88
    propionitrile 299.89
    vinylene carbonate 218.71
    1,1,2-trichlorotrifluoroethane 293.38
    DMS 137.54
    cumene 35.08
    2-octanol 59.11
    2-hexanone 198.76
    octyl acetate 78.94
    limonene 50.62
    1,2-dimethoxyethane 702.36
    ethyl orthosilicate 67.77
    tributyl phosphate 62.62
    diacetone alcohol 283.53
    N,N-dimethylaniline 117.97
    acrylonitrile 375.71
    aniline 116.43
    1,3-propanediol 464.25
    bromobenzene 63.2
    dibromomethane 163.73
    1,1,2,2-tetrachloroethane 197.09
    2-methyl-cyclohexyl acetate 84.02
    tetrabutyl urea 88.46
    diisobutyl methanol 62.56
    2-phenylethanol 97.52
    styrene 50.66
    dioctyl adipate 89.73
    dimethyl sulfate 351.95
    ethyl butyrate 111.21
    methyl lactate 211.29
    butyl lactate 78.8
    diethyl carbonate 84.57
    propanediol butyl ether 161.12
    triethyl orthoformate 86.72
    p-tert-butyltoluene 33.79
    methyl 4-tert-butylbenzoate 124.77
    morpholine 591.25
    tert-butylamine 222.39
    n-dodecanol 52.82
    dimethoxymethane 919.12
    ethylene carbonate 184.1
    cyrene 199.9
    2-ethoxyethyl acetate 142.13
    2-ethylhexyl acetate 76.85
    1,2,4-trichlorobenzene 89.53
    4-methylpyridine 215.17
    dibutyl ether 102.49
    2,6-dimethyl-4-heptanol 62.56
    DEF 390.03
    dimethyl isosorbide 294.11
    tetrachloroethylene 127.52
    eugenol 130.42
    triacetin 138.71
    span 80 125.18
    1,4-butanediol 254.07
    1,1-dichloroethane 196.42
    2-methyl-1-pentanol 171.46
    methyl formate 650.98
    2-methyl-1-butanol 205.4
    n-decane 14.27
    butyronitrile 244.91
    3,7-dimethyl-1-octanol 93.68
    1-chlorooctane 49.47
    1-chlorotetradecane 23.82
    n-nonane 13.75
    undecane 11.36
    tert-butylcyclohexane 16.56
    cyclooctane 8.42
    cyclopentanol 254.26
    tetrahydropyran 338.67
    tert-amyl methyl ether 193.15
    2,5,8-trioxanonane 315.46
    1-hexene 68.95
    2-isopropoxyethanol 336.65
    2,2,2-trifluoroethanol 225.14
    methyl butyrate 223.81

    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

Botanical

Name CAS Botanical Proportion
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.38%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%