Dihydroxyacetone dimer

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  • Identifiers

    CAS number
    26776-70-5

    Molecular formula
    C6H12O6

    SMILES
    C1C(OCC(O1)(CO)O)(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 66.64%
    Odorless 48.17%
    Caramellic 28.17%
    Clean 20.57%
    Buttery 20.35%
    Alcoholic 19.77%
    Creamy 18.07%
    Ethereal 16.0%
    Musty 15.7%
    Woody 15.59%

    Scent© AI

  • Properties

    XLogP3-AA
    -3.1

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    550°C

    Flash point est.
    197.7 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1,3-Dihydroxyacetone dimer
    • 26776-70-5
    • 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
    • 1,3-Dihydroxypropan-2-one dimer
    • 89727-88-8
    • 62147-49-3
    • 2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol
    • Dihydroxyacetone dimer
    • DIHYDROXYACETONE (DIMER)
    • 2,5-Dihydroxydioxane-2,5-dimethanol
    • DTXSID401314347
    • trans-2,5-Dihydroxy-1,4-Dioxane-2,5-dimethanol
    • MFCD00051019
    • 1.3-dihydroxyacetone dimer
    • SCHEMBL229379
    • DTXCID4020165
    • CHEBI:173855
    • 1,3-Dihydroxyacetone dimer, 97%
    • 2-Propanone,1,3-dihydroxy-,dimer
    • BCP30553
    • MFCD29050396
    • AKOS009158772
    • DS-8450
    • 1 pound not3-Dihydroxypropan-2-one dimer
    • DA-01366
    • FD171083
    • SY225622
    • D0560
    • NS00022523
    • EN300-53035
    • D95312
    • F0001-2347
    • 2,5-bis(hydroxymethyl)-(2,5-13C2)1,4-dioxane-2,5-diol
    • 2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol;2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
    • 982-635-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.14
    methanol 122.24
    isopropanol 13.78
    water 612.0
    ethyl acetate 3.69
    n-propanol 14.69
    acetone 9.25
    n-butanol 9.63
    acetonitrile 5.18
    DMF 338.72
    toluene 0.88
    isobutanol 7.08
    1,4-dioxane 20.41
    methyl acetate 3.71
    THF 18.49
    2-butanone 5.17
    n-pentanol 3.85
    sec-butanol 9.89
    n-hexane 0.61
    ethylene glycol 108.09
    NMP 193.63
    cyclohexane 2.95
    DMSO 671.19
    n-butyl acetate 1.46
    n-octanol 2.64
    chloroform 1.51
    n-propyl acetate 1.51
    acetic acid 42.87
    dichloromethane 2.71
    cyclohexanone 12.03
    propylene glycol 53.3
    isopropyl acetate 2.29
    DMAc 179.62
    2-ethoxyethanol 33.79
    isopentanol 5.14
    n-heptane 1.74
    ethyl formate 7.74
    1,2-dichloroethane 3.17
    n-hexanol 2.91
    2-methoxyethanol 116.55
    isobutyl acetate 0.56
    tetrachloromethane 1.05
    n-pentyl acetate 1.45
    transcutol 21.14
    n-heptanol 2.91
    ethylbenzene 0.68
    MIBK 2.07
    2-propoxyethanol 14.81
    tert-butanol 11.28
    MTBE 3.34
    2-butoxyethanol 9.66
    propionic acid 15.79
    o-xylene 2.06
    formic acid 346.62
    diethyl ether 4.65
    m-xylene 1.04
    p-xylene 0.93
    chlorobenzene 0.5
    dimethyl carbonate 8.2
    n-octane 0.73
    formamide 330.84
    cyclopentanone 15.8
    2-pentanone 4.11
    anisole 1.77
    cyclopentyl methyl ether 7.48
    gamma-butyrolactone 24.04
    1-methoxy-2-propanol 46.11
    pyridine 6.48
    3-pentanone 4.54
    furfural 27.54
    n-dodecane 0.33
    diethylene glycol 39.27
    diisopropyl ether 1.28
    tert-amyl alcohol 9.64
    acetylacetone 6.19
    n-hexadecane 0.36
    acetophenone 3.05
    methyl propionate 7.78
    isopentyl acetate 1.16
    trichloroethylene 2.9
    n-nonanol 2.48
    cyclohexanol 11.98
    benzyl alcohol 4.04
    2-ethylhexanol 1.84
    isooctanol 2.08
    dipropyl ether 3.52
    1,2-dichlorobenzene 0.78
    ethyl lactate 5.78
    propylene carbonate 8.36
    n-methylformamide 123.57
    2-pentanol 4.7
    n-pentane 1.12
    1-propoxy-2-propanol 9.07
    1-methoxy-2-propyl acetate 4.07
    2-(2-methoxypropoxy) propanol 9.7
    mesitylene 1.02
    ε-caprolactone 11.14
    p-cymene 1.07
    epichlorohydrin 11.33
    1,1,1-trichloroethane 0.83
    2-aminoethanol 84.49
    morpholine-4-carbaldehyde 114.28
    sulfolane 92.0
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 9.26
    n-hexyl acetate 1.87
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 12.37
    sec-butyl acetate 0.96
    tert-butyl acetate 2.37
    decalin 0.52
    glycerin 145.08
    diglyme 25.33
    acrylic acid 24.21
    isopropyl myristate 0.87
    n-butyric acid 10.6
    acetyl acetate 2.58
    di(2-ethylhexyl) phthalate 1.61
    ethyl propionate 2.34
    nitromethane 45.61
    1,2-diethoxyethane 3.41
    benzonitrile 1.8
    trioctyl phosphate 1.54
    1-bromopropane 1.39
    gamma-valerolactone 39.51
    n-decanol 1.84
    triethyl phosphate 2.67
    4-methyl-2-pentanol 2.03
    propionitrile 3.28
    vinylene carbonate 8.25
    1,1,2-trichlorotrifluoroethane 34.7
    DMS 2.57
    cumene 0.62
    2-octanol 1.85
    2-hexanone 1.64
    octyl acetate 1.28
    limonene 1.92
    1,2-dimethoxyethane 28.79
    ethyl orthosilicate 2.38
    tributyl phosphate 1.4
    diacetone alcohol 8.59
    N,N-dimethylaniline 3.61
    acrylonitrile 5.95
    aniline 3.92
    1,3-propanediol 62.28
    bromobenzene 0.37
    dibromomethane 1.58
    1,1,2,2-tetrachloroethane 4.05
    2-methyl-cyclohexyl acetate 1.59
    tetrabutyl urea 3.31
    diisobutyl methanol 1.61
    2-phenylethanol 2.3
    styrene 0.63
    dioctyl adipate 1.68
    dimethyl sulfate 28.59
    ethyl butyrate 2.1
    methyl lactate 23.34
    butyl lactate 3.58
    diethyl carbonate 1.56
    propanediol butyl ether 11.69
    triethyl orthoformate 2.8
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 5.26
    morpholine 34.79
    tert-butylamine 5.02
    n-dodecanol 1.42
    dimethoxymethane 45.65
    ethylene carbonate 6.67
    cyrene 21.05
    2-ethoxyethyl acetate 2.3
    2-ethylhexyl acetate 0.99
    1,2,4-trichlorobenzene 1.08
    4-methylpyridine 4.74
    dibutyl ether 1.57
    2,6-dimethyl-4-heptanol 1.61
    DEF 30.0
    dimethyl isosorbide 12.26
    tetrachloroethylene 3.96
    eugenol 5.81
    triacetin 3.49
    span 80 7.5
    1,4-butanediol 21.58
    1,1-dichloroethane 1.09
    2-methyl-1-pentanol 2.4
    methyl formate 53.88
    2-methyl-1-butanol 6.07
    n-decane 0.63
    butyronitrile 3.28
    3,7-dimethyl-1-octanol 1.84
    1-chlorooctane 0.86
    1-chlorotetradecane 0.41
    n-nonane 0.69
    undecane 0.44
    tert-butylcyclohexane 0.27
    cyclooctane 1.4
    cyclopentanol 14.37
    tetrahydropyran 8.8
    tert-amyl methyl ether 4.39
    2,5,8-trioxanonane 19.48
    1-hexene 0.77
    2-isopropoxyethanol 10.79
    2,2,2-trifluoroethanol 41.8
    methyl butyrate 3.39

    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