Questinol

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  • Identifiers

    CAS number
    35688-09-6

    Molecular formula
    C16H12O6

    SMILES
    COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.06%
    Phenolic 40.41%
    Sweet 37.38%
    Vanilla 34.6%
    Balsamic 29.35%
    Powdery 26.73%
    Creamy 25.13%
    Milky 24.77%
    Bitter 24.3%
    Dry 23.7%

     

    Flavor
    Bitter 93.97%
    Odorless 28.62%
    Bland 24.07%
    Sweet-like 20.55%
    Lovage 19.72%
    Cedarleaf 19.59%
    Parsley 19.48%
    Nitrile 19.09%
    Ripe apricot 18.49%
    Red fruit 18.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.32 (weak base)

    Molecular weight
    300.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    898°C

    Melting point expt.

    • 280 - 282 °C

    Flash point

    • 289.13 ˚C est.

  • Synonyms

    • Questinol
    • 35688-09-6
    • 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione
    • 1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione
    • 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-dihydroanthracene-9,10-dione
    • RefChem:1097752
    • 9,10-Anthracenedione, 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-
    • omega-Hydroxymethylemodin
    • Questinol_120239
    • orb1681808
    • SCHEMBL16226232
    • CHEBI:81349
    • DTXSID50189192
    • HY-N8359
    • KBA68809
    • AKOS040762261
    • DA-57302
    • CS-0143551
    • C17811
    • 1,6-Dihydroxy-3-hydroxymethyl-8-methoxyanthraquinone
    • Q27155288
    • 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-anthracene-9,10-dione
    • 35688-09-6

  • Applications

    Questinol (CAS 35688-09-6) may serve as an intermediate in organic synthesis; may function as a solvent or processing aid in industrial manufacturing; may act as a stabilizer or plasticizer in polymer formulations; may be used in perfumery and fragrance as a fixative or odorant; may find applications in cosmetics and personal care as a solvent or fragrance ingredient; may be used in coatings and inks as a solvent component; may be present in cleaning formulations as a solvent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.19
    methanol 0.1
    isopropanol 0.2
    water 0.01
    ethyl acetate 0.9
    n-propanol 0.23
    acetone 0.64
    n-butanol 0.26
    acetonitrile 0.84
    DMF 13.08
    toluene 0.16
    isobutanol 0.17
    1,4-dioxane 2.87
    methyl acetate 1.48
    THF 11.68
    2-butanone 1.19
    n-pentanol 0.29
    sec-butanol 0.17
    n-hexane 0.0
    ethylene glycol 1.24
    NMP 26.93
    cyclohexane 0.01
    DMSO 27.03
    n-butyl acetate 2.23
    n-octanol 1.0
    chloroform 0.23
    n-propyl acetate 1.65
    acetic acid 2.17
    dichloromethane 0.22
    cyclohexanone 4.18
    propylene glycol 0.66
    isopropyl acetate 0.97
    DMAc 33.07
    2-ethoxyethanol 3.67
    isopentanol 0.4
    n-heptane 0.01
    ethyl formate 0.88
    1,2-dichloroethane 0.38
    n-hexanol 0.48
    2-methoxyethanol 7.04
    isobutyl acetate 1.15
    tetrachloromethane 0.06
    n-pentyl acetate 1.71
    transcutol 7.67
    n-heptanol 1.07
    ethylbenzene 0.26
    MIBK 1.07
    2-propoxyethanol 8.56
    tert-butanol 0.66
    MTBE 0.24
    2-butoxyethanol 5.71
    propionic acid 1.1
    o-xylene 0.28
    formic acid 3.02
    diethyl ether 0.16
    m-xylene 0.22
    p-xylene 0.37
    chlorobenzene 0.22
    dimethyl carbonate 3.73
    n-octane 0.01
    formamide 5.95
    cyclopentanone 8.93
    2-pentanone 0.79
    anisole 1.57
    cyclopentyl methyl ether 1.54
    gamma-butyrolactone 11.98
    1-methoxy-2-propanol 4.96
    pyridine 2.93
    3-pentanone 0.77
    furfural 9.49
    n-dodecane 0.03
    diethylene glycol 10.96
    diisopropyl ether 0.1
    tert-amyl alcohol 0.46
    acetylacetone 3.06
    n-hexadecane 0.04
    acetophenone 3.39
    methyl propionate 1.91
    isopentyl acetate 2.49
    trichloroethylene 1.26
    n-nonanol 1.19
    cyclohexanol 0.51
    benzyl alcohol 1.89
    2-ethylhexanol 0.69
    isooctanol 0.96
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.48
    ethyl lactate 3.28
    propylene carbonate 4.39
    n-methylformamide 3.21
    2-pentanol 0.15
    n-pentane 0.0
    1-propoxy-2-propanol 5.26
    1-methoxy-2-propyl acetate 6.39
    2-(2-methoxypropoxy) propanol 7.26
    mesitylene 0.19
    ε-caprolactone 5.45
    p-cymene 0.51
    epichlorohydrin 7.07
    1,1,1-trichloroethane 0.25
    2-aminoethanol 1.12
    morpholine-4-carbaldehyde 19.84
    sulfolane 27.33
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.08
    n-hexyl acetate 2.28
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.83
    sec-butyl acetate 1.17
    tert-butyl acetate 2.01
    decalin 0.03
    glycerin 5.5
    diglyme 13.03
    acrylic acid 2.31
    isopropyl myristate 1.24
    n-butyric acid 1.16
    acetyl acetate 1.27
    di(2-ethylhexyl) phthalate 2.24
    ethyl propionate 1.98
    nitromethane 7.51
    1,2-diethoxyethane 1.97
    benzonitrile 1.92
    trioctyl phosphate 1.82
    1-bromopropane 0.09
    gamma-valerolactone 15.62
    n-decanol 0.9
    triethyl phosphate 3.17
    4-methyl-2-pentanol 0.27
    propionitrile 1.03
    vinylene carbonate 4.12
    1,1,2-trichlorotrifluoroethane 14.04
    DMS 4.2
    cumene 0.25
    2-octanol 0.58
    2-hexanone 1.46
    octyl acetate 1.76
    limonene 0.47
    1,2-dimethoxyethane 8.4
    ethyl orthosilicate 2.53
    tributyl phosphate 1.86
    diacetone alcohol 5.77
    N,N-dimethylaniline 1.78
    acrylonitrile 2.66
    aniline 0.9
    1,3-propanediol 1.77
    bromobenzene 0.18
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 1.21
    2-methyl-cyclohexyl acetate 3.22
    tetrabutyl urea 3.56
    diisobutyl methanol 0.59
    2-phenylethanol 3.03
    styrene 0.24
    dioctyl adipate 2.69
    dimethyl sulfate 12.94
    ethyl butyrate 2.39
    methyl lactate 4.97
    butyl lactate 2.75
    diethyl carbonate 2.43
    propanediol butyl ether 3.72
    triethyl orthoformate 2.89
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 5.48
    morpholine 4.83
    tert-butylamine 0.18
    n-dodecanol 0.65
    dimethoxymethane 5.52
    ethylene carbonate 3.3
    cyrene 11.07
    2-ethoxyethyl acetate 3.19
    2-ethylhexyl acetate 2.04
    1,2,4-trichlorobenzene 0.99
    4-methylpyridine 2.18
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 0.59
    DEF 3.78
    dimethyl isosorbide 14.07
    tetrachloroethylene 0.81
    eugenol 6.37
    triacetin 4.51
    span 80 4.36
    1,4-butanediol 0.72
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.45
    methyl formate 2.35
    2-methyl-1-butanol 0.29
    n-decane 0.04
    butyronitrile 0.61
    3,7-dimethyl-1-octanol 0.89
    1-chlorooctane 0.27
    1-chlorotetradecane 0.16
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.74
    tetrahydropyran 0.83
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 11.35
    1-hexene 0.03
    2-isopropoxyethanol 2.56
    2,2,2-trifluoroethanol 2.26
    methyl butyrate 2.48

    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