Sanshodiol

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  • Identifiers

    CAS number
    54854-91-0

    Molecular formula
    C20H22O6

    SMILES
    COC1=C(C=CC(=C1)C2C(C(CO2)CC3=CC4=C(C=C3)OCO4)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 63.97%
    Sweet 58.92%
    Spicy 44.4%
    Floral 42.76%
    Balsamic 35.84%
    Creamy 33.37%
    Powdery 33.3%
    Phenolic 29.78%
    Odorless 26.48%
    Aromatic 24.98%

     

    Flavor
    Bitter 80.74%
    Sweet 24.5%
    Sweet-like 22.83%
    Bland 22.53%
    Naphthalic 21.3%
    Parsley 21.12%
    Eugenol 20.62%
    Cedarleaf 20.54%
    Ethyl benzoate 19.7%
    Allspice 19.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.23 (neutral)

    Molecular weight
    358.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    740°C

    Melting point expt.

    • 140 - 141 °C

    Flash point

    • 202.49 ˚C est.

  • Synonyms

    • Sanshodiol
    • 54854-91-0
    • TETRAHYDRO-4-(1,3-BENZODIOXOL-5-YLMETHYL)-2-(4-HYDROXY-3-METHOXYPHENYL)-3-FURANMETHANOL
    • 4-[4-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
    • orb1692106
    • CHEBI:175604
    • DTXSID101123755
    • ECA85491
    • AKOS032948269
    • 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenol
    • DB-299278
    • 4,9-Dihydroxy-3-methoxy-3',4'-methylenedioxy-7,9'-epoxylignan
    • 3-Furanmethanol, 4-(1,3-benzodioxol-5-ylmethyl)tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-
    • 54854-91-0

  • Applications

    Sanshodiol is primarily considered as a fragrance-related ingredient and odorant, used in perfumery and cosmetics to contribute a peppery note or sensory modifier, and may be evaluated as a flavor-modifying component for specialty foods and beverages, subject to regulatory approvals. In industry, it can serve as an intermediate and building block for chemical synthesis, including polymer-related applications. It may be used as a scent additive in household cleaners and in coatings and paints formulations. Its use is formulation- and regulation-dependent, with certain applications potentially restricted by local rules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.7
    methanol 31.56
    isopropanol 17.95
    water 0.89
    ethyl acetate 27.17
    n-propanol 15.92
    acetone 53.14
    n-butanol 16.36
    acetonitrile 31.66
    DMF 66.47
    toluene 3.81
    isobutanol 9.94
    1,4-dioxane 52.3
    methyl acetate 22.03
    THF 136.77
    2-butanone 22.26
    n-pentanol 10.51
    sec-butanol 9.84
    n-hexane 0.13
    ethylene glycol 29.64
    NMP 22.98
    cyclohexane 0.52
    DMSO 234.61
    n-butyl acetate 8.17
    n-octanol 10.36
    chloroform 59.31
    n-propyl acetate 11.26
    acetic acid 110.09
    dichloromethane 49.28
    cyclohexanone 30.73
    propylene glycol 20.66
    isopropyl acetate 23.26
    DMAc 85.21
    2-ethoxyethanol 77.0
    isopentanol 17.06
    n-heptane 0.57
    ethyl formate 19.34
    1,2-dichloroethane 26.59
    n-hexanol 9.32
    2-methoxyethanol 143.65
    isobutyl acetate 9.9
    tetrachloromethane 4.64
    n-pentyl acetate 12.86
    transcutol 189.17
    n-heptanol 11.04
    ethylbenzene 2.08
    MIBK 23.05
    2-propoxyethanol 57.98
    tert-butanol 26.33
    MTBE 10.14
    2-butoxyethanol 39.89
    propionic acid 22.37
    o-xylene 2.84
    formic acid 84.38
    diethyl ether 11.66
    m-xylene 3.49
    p-xylene 2.66
    chlorobenzene 6.55
    dimethyl carbonate 34.52
    n-octane 0.5
    formamide 128.47
    cyclopentanone 52.87
    2-pentanone 23.96
    anisole 10.55
    cyclopentyl methyl ether 18.88
    gamma-butyrolactone 58.27
    1-methoxy-2-propanol 99.55
    pyridine 22.49
    3-pentanone 14.76
    furfural 49.32
    n-dodecane 0.63
    diethylene glycol 83.93
    diisopropyl ether 4.25
    tert-amyl alcohol 13.7
    acetylacetone 64.37
    n-hexadecane 0.72
    acetophenone 14.19
    methyl propionate 23.33
    isopentyl acetate 11.65
    trichloroethylene 67.06
    n-nonanol 11.75
    cyclohexanol 11.83
    benzyl alcohol 15.04
    2-ethylhexanol 6.34
    isooctanol 10.55
    dipropyl ether 8.09
    1,2-dichlorobenzene 8.97
    ethyl lactate 19.28
    propylene carbonate 25.24
    n-methylformamide 42.93
    2-pentanol 9.98
    n-pentane 0.21
    1-propoxy-2-propanol 33.26
    1-methoxy-2-propyl acetate 30.84
    2-(2-methoxypropoxy) propanol 43.05
    mesitylene 2.4
    ε-caprolactone 24.86
    p-cymene 2.95
    epichlorohydrin 88.08
    1,1,1-trichloroethane 18.16
    2-aminoethanol 30.89
    morpholine-4-carbaldehyde 61.19
    sulfolane 73.03
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 21.59
    n-hexyl acetate 16.75
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 62.15
    sec-butyl acetate 9.14
    tert-butyl acetate 27.51
    decalin 0.39
    glycerin 74.27
    diglyme 112.73
    acrylic acid 33.42
    isopropyl myristate 9.39
    n-butyric acid 38.63
    acetyl acetate 38.07
    di(2-ethylhexyl) phthalate 11.41
    ethyl propionate 12.02
    nitromethane 205.09
    1,2-diethoxyethane 30.75
    benzonitrile 13.13
    trioctyl phosphate 9.34
    1-bromopropane 6.32
    gamma-valerolactone 78.56
    n-decanol 8.67
    triethyl phosphate 10.15
    4-methyl-2-pentanol 9.71
    propionitrile 17.52
    vinylene carbonate 28.48
    1,1,2-trichlorotrifluoroethane 92.34
    DMS 19.81
    cumene 1.89
    2-octanol 7.55
    2-hexanone 12.03
    octyl acetate 11.37
    limonene 3.51
    1,2-dimethoxyethane 76.0
    ethyl orthosilicate 9.69
    tributyl phosphate 10.11
    diacetone alcohol 48.87
    N,N-dimethylaniline 7.93
    acrylonitrile 31.38
    aniline 9.98
    1,3-propanediol 61.48
    bromobenzene 6.02
    dibromomethane 20.81
    1,1,2,2-tetrachloroethane 46.18
    2-methyl-cyclohexyl acetate 12.1
    tetrabutyl urea 14.15
    diisobutyl methanol 5.93
    2-phenylethanol 14.96
    styrene 2.28
    dioctyl adipate 15.67
    dimethyl sulfate 53.48
    ethyl butyrate 10.21
    methyl lactate 36.21
    butyl lactate 18.02
    diethyl carbonate 9.85
    propanediol butyl ether 34.25
    triethyl orthoformate 11.9
    p-tert-butyltoluene 2.81
    methyl 4-tert-butylbenzoate 24.7
    morpholine 51.78
    tert-butylamine 7.29
    n-dodecanol 6.57
    dimethoxymethane 105.28
    ethylene carbonate 24.6
    cyrene 39.76
    2-ethoxyethyl acetate 28.46
    2-ethylhexyl acetate 7.57
    1,2,4-trichlorobenzene 11.51
    4-methylpyridine 13.62
    dibutyl ether 9.28
    2,6-dimethyl-4-heptanol 5.93
    DEF 24.76
    dimethyl isosorbide 58.76
    tetrachloroethylene 27.27
    eugenol 29.43
    triacetin 31.92
    span 80 27.81
    1,4-butanediol 22.82
    1,1-dichloroethane 18.49
    2-methyl-1-pentanol 10.08
    methyl formate 42.39
    2-methyl-1-butanol 11.32
    n-decane 1.02
    butyronitrile 16.7
    3,7-dimethyl-1-octanol 10.31
    1-chlorooctane 4.26
    1-chlorotetradecane 2.05
    n-nonane 0.8
    undecane 0.77
    tert-butylcyclohexane 0.32
    cyclooctane 0.32
    cyclopentanol 13.95
    tetrahydropyran 21.42
    tert-amyl methyl ether 8.04
    2,5,8-trioxanonane 87.97
    1-hexene 0.72
    2-isopropoxyethanol 41.9
    2,2,2-trifluoroethanol 57.2
    methyl butyrate 13.84

    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