Quercitol

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  • Identifiers

    CAS number
    488-73-3

    Molecular formula
    C6H12O5

    SMILES
    C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.85%
    Sweet 53.6%
    Woody 35.92%
    Caramellic 31.54%
    Phenolic 22.53%
    Burnt 21.71%
    Smoky 20.06%
    Vanilla 17.67%
    Spicy 15.94%
    Balsamic 15.75%

     

    Flavor
    Sweet 85.23%
    Odorless 55.57%
    Bitter 46.87%
    Sweet-like 29.02%
    Very slight 21.9%
    Cauliflower 21.51%
    Vanilla 20.44%
    Mentholic 20.34%
    Soup 20.15%
    Alkaline 20.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.7

    pKa est.
    5.97 (weak acid)

    Molecular weight
    164.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    657°C

    Flash point

    • 210.04 ˚C est.

  • Synonyms

    • Quercitol
    • 488-73-3
    • (+)-Quercitol
    • d-Quercitol
    • (1R,2S,4S,5R)-cyclohexane-1,2,3,4,5-pentol
    • Acorn sugar
    • D-chiro-Inositol, 2-deoxy-
    • 1L-1,3,4/2,5-cyclohexanepentol
    • D-1-deoxy-muco-inositol
    • (+)-PROTOQUERCITOL
    • QUERCITOL, D-
    • D-QUERCITOL [MI]
    • CHEBI:27371
    • INOSITOL, 2-DEOXY-, D-CHIRO-
    • RefChem:871348
    • (+)-proto-Quercitol
    • 5-Deoxyinositol
    • M8H1D7SDLM
    • Viburnitol
    • MFCD06797163
    • (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
    • 2-Deoxy-myo-inositol
    • UNII-M8H1D7SDLM
    • orb2939975
    • SCHEMBL6079050
    • CHEMBL1950778
    • DTXSID80197609
    • IMPKVMRTXBRHRB-MBMOQRBOSA-N
    • HY-W145689
    • CS-0226131
    • Q0071
    • C08258
    • G85437
    • (1R,2S,4S,5R)-Cyclohexane-1,2,3,4,5-pentaol
    • Q4639585
    • HQ8
    • 488-73-3

  • Applications

    Quercitol, CAS 488-73-3, is a cyclitol with six hydroxyl groups, classed as a polyol. Real-world applications focus on: (1) serving as an intermediate/building block for pharmaceutical and specialty chemical syntheses; (2) acting as a humectant and formulation ingredient in cosmetics and personal care products; (3) explored for use in polymer and plastic formulations, potentially as a crosslinker or plasticizer; (4) providing a functional additive in coatings and inks; (5) used in cleaning formulations and household products as a polyol-based additive or carrier, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.81
    methanol 2.4
    isopropanol 0.41
    water 336.65
    ethyl acetate 0.44
    n-propanol 0.53
    acetone 0.45
    n-butanol 0.43
    acetonitrile 0.18
    DMF 11.23
    toluene 0.06
    isobutanol 0.33
    1,4-dioxane 1.47
    methyl acetate 0.2
    THF 1.79
    2-butanone 0.31
    n-pentanol 0.27
    sec-butanol 0.52
    n-hexane 0.06
    ethylene glycol 25.22
    NMP 23.07
    cyclohexane 0.16
    DMSO 73.47
    n-butyl acetate 0.36
    n-octanol 0.69
    chloroform 0.1
    n-propyl acetate 0.18
    acetic acid 4.72
    dichloromethane 0.1
    cyclohexanone 1.08
    propylene glycol 7.43
    isopropyl acetate 0.42
    DMAc 10.29
    2-ethoxyethanol 4.37
    isopentanol 0.43
    n-heptane 0.34
    ethyl formate 0.33
    1,2-dichloroethane 0.14
    n-hexanol 0.83
    2-methoxyethanol 10.52
    isobutyl acetate 0.09
    tetrachloromethane 0.2
    n-pentyl acetate 0.38
    transcutol 6.09
    n-heptanol 1.06
    ethylbenzene 0.07
    MIBK 0.54
    2-propoxyethanol 5.32
    tert-butanol 0.89
    MTBE 0.24
    2-butoxyethanol 3.45
    propionic acid 1.44
    o-xylene 0.17
    formic acid 77.95
    diethyl ether 0.27
    m-xylene 0.16
    p-xylene 0.08
    chlorobenzene 0.03
    dimethyl carbonate 0.82
    n-octane 0.15
    formamide 35.12
    cyclopentanone 1.57
    2-pentanone 0.53
    anisole 0.14
    cyclopentyl methyl ether 0.97
    gamma-butyrolactone 2.62
    1-methoxy-2-propanol 6.86
    pyridine 0.24
    3-pentanone 0.45
    furfural 2.82
    n-dodecane 0.07
    diethylene glycol 18.69
    diisopropyl ether 0.21
    tert-amyl alcohol 1.01
    acetylacetone 1.46
    n-hexadecane 0.08
    acetophenone 0.36
    methyl propionate 0.7
    isopentyl acetate 0.33
    trichloroethylene 0.18
    n-nonanol 0.65
    cyclohexanol 1.04
    benzyl alcohol 0.35
    2-ethylhexanol 0.61
    isooctanol 0.8
    dipropyl ether 0.68
    1,2-dichlorobenzene 0.09
    ethyl lactate 1.27
    propylene carbonate 1.17
    n-methylformamide 4.35
    2-pentanol 0.47
    n-pentane 0.08
    1-propoxy-2-propanol 3.51
    1-methoxy-2-propyl acetate 1.46
    2-(2-methoxypropoxy) propanol 3.19
    mesitylene 0.22
    ε-caprolactone 1.44
    p-cymene 0.31
    epichlorohydrin 0.85
    1,1,1-trichloroethane 0.09
    2-aminoethanol 10.02
    morpholine-4-carbaldehyde 15.2
    sulfolane 20.38
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 0.78
    n-hexyl acetate 0.48
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 4.24
    sec-butyl acetate 0.16
    tert-butyl acetate 0.7
    decalin 0.08
    glycerin 46.54
    diglyme 6.63
    acrylic acid 2.67
    isopropyl myristate 0.24
    n-butyric acid 1.23
    acetyl acetate 0.45
    di(2-ethylhexyl) phthalate 0.49
    ethyl propionate 0.3
    nitromethane 3.63
    1,2-diethoxyethane 0.54
    benzonitrile 0.13
    trioctyl phosphate 0.54
    1-bromopropane 0.06
    gamma-valerolactone 4.47
    n-decanol 0.49
    triethyl phosphate 0.68
    4-methyl-2-pentanol 0.47
    propionitrile 0.12
    vinylene carbonate 0.73
    1,1,2-trichlorotrifluoroethane 8.26
    DMS 0.57
    cumene 0.1
    2-octanol 0.6
    2-hexanone 0.2
    octyl acetate 0.33
    limonene 0.47
    1,2-dimethoxyethane 2.12
    ethyl orthosilicate 0.62
    tributyl phosphate 0.4
    diacetone alcohol 3.57
    N,N-dimethylaniline 0.35
    acrylonitrile 0.22
    aniline 0.22
    1,3-propanediol 7.32
    bromobenzene 0.03
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.32
    2-methyl-cyclohexyl acetate 0.45
    tetrabutyl urea 0.78
    diisobutyl methanol 0.74
    2-phenylethanol 0.63
    styrene 0.04
    dioctyl adipate 0.35
    dimethyl sulfate 3.99
    ethyl butyrate 0.43
    methyl lactate 4.23
    butyl lactate 1.24
    diethyl carbonate 0.27
    propanediol butyl ether 4.08
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 1.8
    morpholine 2.0
    tert-butylamine 0.34
    n-dodecanol 0.37
    dimethoxymethane 3.0
    ethylene carbonate 0.6
    cyrene 6.58
    2-ethoxyethyl acetate 0.62
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.12
    4-methylpyridine 0.18
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.74
    DEF 2.48
    dimethyl isosorbide 5.39
    tetrachloroethylene 0.5
    eugenol 2.0
    triacetin 1.06
    span 80 3.31
    1,4-butanediol 2.9
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.27
    methyl formate 1.95
    2-methyl-1-butanol 0.44
    n-decane 0.13
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.52
    1-chlorooctane 0.21
    1-chlorotetradecane 0.1
    n-nonane 0.14
    undecane 0.09
    tert-butylcyclohexane 0.06
    cyclooctane 0.17
    cyclopentanol 1.31
    tetrahydropyran 0.45
    tert-amyl methyl ether 0.45
    2,5,8-trioxanonane 6.16
    1-hexene 0.06
    2-isopropoxyethanol 1.95
    2,2,2-trifluoroethanol 10.48
    methyl butyrate 0.35

    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