1,1-Dihydroxypropan-2-one

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  • Identifiers

    CAS number
    1186-47-6

    Molecular formula
    C3H6O3

    SMILES
    CC(=O)C(O)O

  • Odor profile

    Fragrance
    Caramellic 53.77%
    Sweet 53.02%
    Buttery 43.63%
    Fruity 38.76%
    Creamy 35.6%
    Pungent 34.18%
    Nutty 34.18%
    Ethereal 33.07%
    Sharp 33.07%
    Green 32.49%

     

    Flavor
    Odorless 54.92%
    Sweet 38.61%
    Sour 37.46%
    Acidic 33.47%
    Pungent 32.55%
    Buttery 29.72%
    Caramellic 27.95%
    Sharp 25.05%
    Creamy 24.87%
    Musty 24.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.24 (neutral)

    Molecular weight
    90.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    178°C

    Flash point

    • 102.47 ˚C est.

  • Synonyms

    • 1,1-dihydroxypropan-2-one
    • 1186-47-6
    • METHYLGLYOXAL HYDRATE
    • 1,1-dihydroxyacetone
    • dioxyaceton
    • UOQFZGVGGMHGEE-UHFFFAOYSA-N
    • AKOS015995422

  • Applications

    Dihydroxyacetone (1,1-Dihydroxypropan-2-one) is best known in cosmetics as a natural tanning agent in lotions, creams, and sprays. It is also used as an intermediate or building block in the synthesis of fragrance and pharmaceutical compounds. With two hydroxyl groups and a ketone, it can serve as a versatile diol building block in polymer and plastic synthesis, for example as a component in polyurethane-type systems. In research settings, it is evaluated as a carbohydrate-derived reagent and participates in analytical applications related to sugar, subject to local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.36
    methanol 148.39
    isopropanol 29.2
    water 1513.05
    ethyl acetate 4.57
    n-propanol 36.76
    acetone 16.45
    n-butanol 30.03
    acetonitrile 12.11
    DMF 187.43
    toluene 1.11
    isobutanol 23.52
    1,4-dioxane 20.75
    methyl acetate 6.58
    THF 21.03
    2-butanone 8.78
    n-pentanol 12.72
    sec-butanol 25.94
    n-hexane 1.63
    ethylene glycol 159.31
    NMP 100.26
    cyclohexane 2.98
    DMSO 139.05
    n-butyl acetate 1.49
    n-octanol 5.78
    chloroform 3.21
    n-propyl acetate 2.19
    acetic acid 112.43
    dichloromethane 4.58
    cyclohexanone 10.89
    propylene glycol 91.98
    isopropyl acetate 3.01
    DMAc 103.94
    2-ethoxyethanol 48.77
    isopentanol 21.48
    n-heptane 1.89
    ethyl formate 16.11
    1,2-dichloroethane 4.08
    n-hexanol 6.67
    2-methoxyethanol 127.93
    isobutyl acetate 1.08
    tetrachloromethane 2.75
    n-pentyl acetate 2.72
    transcutol 43.87
    n-heptanol 7.35
    ethylbenzene 1.0
    MIBK 4.79
    2-propoxyethanol 18.88
    tert-butanol 36.29
    MTBE 8.97
    2-butoxyethanol 19.97
    propionic acid 32.65
    o-xylene 2.4
    formic acid 420.04
    diethyl ether 6.88
    m-xylene 1.38
    p-xylene 1.32
    chlorobenzene 0.82
    dimethyl carbonate 7.19
    n-octane 1.02
    formamide 341.36
    cyclopentanone 15.58
    2-pentanone 6.9
    anisole 3.16
    cyclopentyl methyl ether 8.44
    gamma-butyrolactone 19.93
    1-methoxy-2-propanol 54.52
    pyridine 6.42
    3-pentanone 5.51
    furfural 26.92
    n-dodecane 0.56
    diethylene glycol 48.38
    diisopropyl ether 2.36
    tert-amyl alcohol 33.2
    acetylacetone 7.93
    n-hexadecane 0.56
    acetophenone 3.82
    methyl propionate 6.88
    isopentyl acetate 1.49
    trichloroethylene 4.21
    n-nonanol 5.18
    cyclohexanol 16.69
    benzyl alcohol 6.54
    2-ethylhexanol 3.54
    isooctanol 5.53
    dipropyl ether 3.02
    1,2-dichlorobenzene 1.14
    ethyl lactate 5.96
    propylene carbonate 8.42
    n-methylformamide 111.33
    2-pentanol 14.61
    n-pentane 2.55
    1-propoxy-2-propanol 10.93
    1-methoxy-2-propyl acetate 3.37
    2-(2-methoxypropoxy) propanol 16.69
    mesitylene 1.45
    ε-caprolactone 10.95
    p-cymene 1.22
    epichlorohydrin 12.8
    1,1,1-trichloroethane 1.97
    2-aminoethanol 147.31
    morpholine-4-carbaldehyde 71.5
    sulfolane 43.58
    2,2,4-trimethylpentane 1.67
    2-methyltetrahydrofuran 12.76
    n-hexyl acetate 3.48
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 22.83
    sec-butyl acetate 1.47
    tert-butyl acetate 3.93
    decalin 0.93
    glycerin 184.85
    diglyme 37.74
    acrylic acid 43.78
    isopropyl myristate 1.58
    n-butyric acid 25.73
    acetyl acetate 3.37
    di(2-ethylhexyl) phthalate 3.41
    ethyl propionate 2.63
    nitromethane 71.3
    1,2-diethoxyethane 4.88
    benzonitrile 2.56
    trioctyl phosphate 2.7
    1-bromopropane 2.14
    gamma-valerolactone 32.45
    n-decanol 3.93
    triethyl phosphate 2.16
    4-methyl-2-pentanol 7.8
    propionitrile 6.54
    vinylene carbonate 8.34
    1,1,2-trichlorotrifluoroethane 30.82
    DMS 2.52
    cumene 1.19
    2-octanol 4.25
    2-hexanone 3.24
    octyl acetate 2.35
    limonene 2.0
    1,2-dimethoxyethane 35.63
    ethyl orthosilicate 2.31
    tributyl phosphate 2.39
    diacetone alcohol 15.94
    N,N-dimethylaniline 5.03
    acrylonitrile 9.91
    aniline 4.96
    1,3-propanediol 115.97
    bromobenzene 0.55
    dibromomethane 2.9
    1,1,2,2-tetrachloroethane 4.78
    2-methyl-cyclohexyl acetate 1.99
    tetrabutyl urea 4.75
    diisobutyl methanol 3.05
    2-phenylethanol 3.61
    styrene 0.99
    dioctyl adipate 2.79
    dimethyl sulfate 17.72
    ethyl butyrate 2.0
    methyl lactate 20.22
    butyl lactate 6.05
    diethyl carbonate 1.37
    propanediol butyl ether 23.54
    triethyl orthoformate 2.25
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 7.88
    morpholine 33.18
    tert-butylamine 17.5
    n-dodecanol 3.01
    dimethoxymethane 33.92
    ethylene carbonate 6.56
    cyrene 19.83
    2-ethoxyethyl acetate 4.14
    2-ethylhexyl acetate 1.14
    1,2,4-trichlorobenzene 1.42
    4-methylpyridine 5.23
    dibutyl ether 2.71
    2,6-dimethyl-4-heptanol 3.05
    DEF 25.92
    dimethyl isosorbide 14.17
    tetrachloroethylene 6.08
    eugenol 10.12
    triacetin 5.04
    span 80 13.21
    1,4-butanediol 44.27
    1,1-dichloroethane 2.1
    2-methyl-1-pentanol 10.7
    methyl formate 58.68
    2-methyl-1-butanol 23.71
    n-decane 0.89
    butyronitrile 7.29
    3,7-dimethyl-1-octanol 4.28
    1-chlorooctane 1.47
    1-chlorotetradecane 0.75
    n-nonane 0.95
    undecane 0.67
    tert-butylcyclohexane 0.74
    cyclooctane 1.53
    cyclopentanol 23.79
    tetrahydropyran 9.65
    tert-amyl methyl ether 9.51
    2,5,8-trioxanonane 30.04
    1-hexene 2.12
    2-isopropoxyethanol 19.24
    2,2,2-trifluoroethanol 75.22
    methyl butyrate 4.96

    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