1-O-Hexopyranosylhexitol

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  • Identifiers

    CAS number
    64519-82-0

    Molecular formula
    C12H24O11

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

  • Odor profile

    Fragrance
    Odorless 72.2%
    Sweet 51.15%
    Alcoholic 24.1%
    Caramellic 19.52%
    Cooling 17.24%
    Clean 16.69%
    Bitter 15.88%
    Savory 15.38%
    Milky 15.21%
    Buttery 15.03%

     

    Flavor
    Sweet 69.34%
    Odorless 66.4%
    Sweet-like 35.17%
    Bitter 33.98%
    Very mild 23.19%
    Bland 22.53%
    Very slight 22.29%
    Cauliflower 20.77%
    Soup 19.7%
    Alkaline 19.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.2

    pKa est.
    4.49 (weak acid)

    Molecular weight
    344.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2896°C

    Melting point expt.

    • 122 - 125 °C

    Flash point

    • 301.28 ˚C est.

    Solubility expt.

    • Soluble in water, very slightly soluble in ethanol.

  • Synonyms

    • Isomalt
    • 1-O-alpha-D-Glucopyranosyl-D-mannitol
    • 1-O-Hexopyranosylhexitol
    • DTXSID10860798
    • 64519-82-0
    • 850347-32-9
    • 1-O-beta-D-glucopyranosyl-D-mannitol
    • 6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,4,5-pentol
    • 28971-30-4
    • SCHEMBL22516557
    • DTXCID60201172
    • GPM
    • LMFA13010063
    • 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
    • SB49279
    • E953
    • 4E425161-3305-4B32-8581-CB8B8B13B3BF

  • Applications

    1-O-Hexopyranosylhexitol (CAS 64519-82-0) is commonly used as a glycoside intermediate in carbohydrate chemistry, serving as a building block for glycosylated sorbitol derivatives in pharmaceutical research and development. In cosmetics and personal care, it may be evaluated as a precursor for glycoside-based humectants or stabilizers in formulations. In polymer and plastics research, it can function as a biobased polyol building block or compatibility additive for sugar-containing polymers. In industrial manufacturing, it can be used as a starting material for the synthesis of more complex glycosides and sugar-derived compounds. In fragrance and flavor chemistry, glycoside derivatives are explored as odorant precursors and aroma components; this compound may be considered for such applications under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.72
    methanol 3.93
    isopropanol 0.25
    water 598.01
    ethyl acetate 0.16
    n-propanol 0.41
    acetone 0.28
    n-butanol 0.38
    acetonitrile 0.19
    DMF 29.62
    toluene 0.09
    isobutanol 0.18
    1,4-dioxane 1.08
    methyl acetate 0.13
    THF 0.66
    2-butanone 0.2
    n-pentanol 0.15
    sec-butanol 0.29
    n-hexane 0.03
    ethylene glycol 32.41
    NMP 27.0
    cyclohexane 0.2
    DMSO 171.09
    n-butyl acetate 0.09
    n-octanol 0.28
    chloroform 0.03
    n-propyl acetate 0.06
    acetic acid 4.65
    dichloromethane 0.04
    cyclohexanone 0.67
    propylene glycol 9.69
    isopropyl acetate 0.12
    DMAc 17.41
    2-ethoxyethanol 3.29
    isopentanol 0.22
    n-heptane 0.15
    ethyl formate 0.18
    1,2-dichloroethane 0.08
    n-hexanol 0.28
    2-methoxyethanol 13.36
    isobutyl acetate 0.03
    tetrachloromethane 0.03
    n-pentyl acetate 0.13
    transcutol 5.79
    n-heptanol 0.4
    ethylbenzene 0.05
    MIBK 0.14
    2-propoxyethanol 2.38
    tert-butanol 0.28
    MTBE 0.08
    2-butoxyethanol 1.73
    propionic acid 0.92
    o-xylene 0.16
    formic acid 102.92
    diethyl ether 0.16
    m-xylene 0.11
    p-xylene 0.04
    chlorobenzene 0.02
    dimethyl carbonate 0.89
    n-octane 0.07
    formamide 59.35
    cyclopentanone 0.86
    2-pentanone 0.24
    anisole 0.09
    cyclopentyl methyl ether 0.66
    gamma-butyrolactone 1.21
    1-methoxy-2-propanol 6.49
    pyridine 0.42
    3-pentanone 0.3
    furfural 1.9
    n-dodecane 0.03
    diethylene glycol 11.56
    diisopropyl ether 0.07
    tert-amyl alcohol 0.32
    acetylacetone 0.63
    n-hexadecane 0.03
    acetophenone 0.21
    methyl propionate 0.48
    isopentyl acetate 0.07
    trichloroethylene 0.09
    n-nonanol 0.28
    cyclohexanol 0.91
    benzyl alcohol 0.29
    2-ethylhexanol 0.16
    isooctanol 0.23
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.63
    propylene carbonate 0.38
    n-methylformamide 7.08
    2-pentanol 0.26
    n-pentane 0.06
    1-propoxy-2-propanol 1.42
    1-methoxy-2-propyl acetate 0.59
    2-(2-methoxypropoxy) propanol 1.71
    mesitylene 0.09
    ε-caprolactone 0.77
    p-cymene 0.09
    epichlorohydrin 0.43
    1,1,1-trichloroethane 0.02
    2-aminoethanol 12.22
    morpholine-4-carbaldehyde 17.21
    sulfolane 12.2
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.34
    n-hexyl acetate 0.16
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.65
    sec-butyl acetate 0.04
    tert-butyl acetate 0.15
    decalin 0.03
    glycerin 71.15
    diglyme 4.15
    acrylic acid 2.39
    isopropyl myristate 0.07
    n-butyric acid 0.67
    acetyl acetate 0.18
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.11
    nitromethane 3.89
    1,2-diethoxyethane 0.38
    benzonitrile 0.08
    trioctyl phosphate 0.15
    1-bromopropane 0.04
    gamma-valerolactone 3.53
    n-decanol 0.21
    triethyl phosphate 0.2
    4-methyl-2-pentanol 0.12
    propionitrile 0.1
    vinylene carbonate 0.41
    1,1,2-trichlorotrifluoroethane 5.07
    DMS 0.3
    cumene 0.04
    2-octanol 0.21
    2-hexanone 0.07
    octyl acetate 0.12
    limonene 0.17
    1,2-dimethoxyethane 1.34
    ethyl orthosilicate 0.19
    tributyl phosphate 0.11
    diacetone alcohol 1.18
    N,N-dimethylaniline 0.21
    acrylonitrile 0.24
    aniline 0.3
    1,3-propanediol 7.5
    bromobenzene 0.02
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.14
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.31
    diisobutyl methanol 0.14
    2-phenylethanol 0.28
    styrene 0.03
    dioctyl adipate 0.13
    dimethyl sulfate 4.56
    ethyl butyrate 0.13
    methyl lactate 4.29
    butyl lactate 0.49
    diethyl carbonate 0.09
    propanediol butyl ether 2.83
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 0.68
    morpholine 2.07
    tert-butylamine 0.12
    n-dodecanol 0.15
    dimethoxymethane 3.66
    ethylene carbonate 0.31
    cyrene 4.05
    2-ethoxyethyl acetate 0.29
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.2
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.14
    DEF 2.06
    dimethyl isosorbide 2.05
    tetrachloroethylene 0.17
    eugenol 0.79
    triacetin 0.49
    span 80 1.74
    1,4-butanediol 2.15
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.09
    methyl formate 2.45
    2-methyl-1-butanol 0.25
    n-decane 0.06
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.07
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.14
    cyclopentanol 0.79
    tetrahydropyran 0.37
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 3.95
    1-hexene 0.03
    2-isopropoxyethanol 1.02
    2,2,2-trifluoroethanol 6.23
    methyl butyrate 0.14

    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