Sesaminol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74061-79-3

    Molecular formula
    C20H18O7

    SMILES
    C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3O)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.49%
    Spicy 41.08%
    Vanilla 36.02%
    Floral 34.7%
    Phenolic 28.84%
    Odorless 26.05%
    Balsamic 24.78%
    Powdery 24.43%
    Aromatic 23.86%
    Animal 23.1%

     

    Flavor
    Bitter 91.27%
    Sweet-like 19.96%
    Bland 19.27%
    Cedarleaf 18.41%
    Cereal 18.24%
    Naphthalic 18.11%
    Alkaline 17.65%
    Parsley 17.42%
    Indole 17.11%
    Very strong 17.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.72 (weak acid)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    755°C

    Flash point

    • 227.52 ˚C est.

  • Synonyms

    • Sesaminol
    • 74061-79-3
    • 6-[(1s,3ar,4s,6ar)-4-(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol
    • CHEBI:145778
    • (1S-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol
    • 6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-ol
    • 6-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol
    • 6-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-1,3-benzodioxol-5-ol
    • RefChem:182568
    • (+)-sesaminol
    • Justisolin
    • Sesaminol, (+)-
    • QTS6XJP5LC
    • orb2814216
    • SCHEMBL12600772
    • DTXSID50995513
    • 1,3-Benzodioxol-5-ol, 6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-
    • 1,3-Benzodioxol-5-ol, 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-
    • 6-((1S,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxol-5-ol
    • 6-[(1S,3aR,4S,6aR)-4-(2H-1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol
    • 6-[4-(2H-1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol
    • 74061-79-3

  • Applications

    Sesaminol (CAS 74061-79-3) is a naturally derived lignan that finds utility as an antioxidant and as a chemical intermediate in several industries. In cosmetics/personal care, it is explored for radical scavenging activity to improve formulation stability. In polymers/plastics, it is evaluated as an antioxidant stabilizer and as a potential precursor for lignan-based additives; in coatings/inks, it may enhance oxidation resistance and color stability of formulations. In pharmaceutical and chemical research, sesaminol serves as a scaffold for the development of bioactive lignan derivatives and as a reference compound for antioxidant studies. In industrial synthesis, it is used as an intermediate in the preparation of related lignan compounds. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.19
    methanol 5.02
    isopropanol 2.45
    water 0.63
    ethyl acetate 11.67
    n-propanol 2.22
    acetone 20.3
    n-butanol 2.42
    acetonitrile 21.37
    DMF 65.74
    toluene 1.23
    isobutanol 1.74
    1,4-dioxane 19.1
    methyl acetate 13.22
    THF 39.09
    2-butanone 10.72
    n-pentanol 1.8
    sec-butanol 1.55
    n-hexane 0.03
    ethylene glycol 7.99
    NMP 23.91
    cyclohexane 0.11
    DMSO 79.23
    n-butyl acetate 5.59
    n-octanol 3.94
    chloroform 26.52
    n-propyl acetate 7.25
    acetic acid 38.96
    dichloromethane 22.44
    cyclohexanone 13.91
    propylene glycol 3.38
    isopropyl acetate 9.99
    DMAc 72.67
    2-ethoxyethanol 21.55
    isopentanol 3.25
    n-heptane 0.17
    ethyl formate 12.03
    1,2-dichloroethane 10.48
    n-hexanol 2.09
    2-methoxyethanol 40.3
    isobutyl acetate 5.41
    tetrachloromethane 2.14
    n-pentyl acetate 7.24
    transcutol 61.06
    n-heptanol 3.48
    ethylbenzene 0.71
    MIBK 8.62
    2-propoxyethanol 26.69
    tert-butanol 3.77
    MTBE 2.17
    2-butoxyethanol 17.79
    propionic acid 8.43
    o-xylene 1.0
    formic acid 32.49
    diethyl ether 2.82
    m-xylene 1.03
    p-xylene 1.14
    chlorobenzene 3.04
    dimethyl carbonate 24.01
    n-octane 0.14
    formamide 60.27
    cyclopentanone 28.74
    2-pentanone 9.36
    anisole 4.72
    cyclopentyl methyl ether 6.72
    gamma-butyrolactone 40.05
    1-methoxy-2-propanol 27.62
    pyridine 13.76
    3-pentanone 6.73
    furfural 37.3
    n-dodecane 0.22
    diethylene glycol 34.16
    diisopropyl ether 1.2
    tert-amyl alcohol 2.29
    acetylacetone 31.84
    n-hexadecane 0.26
    acetophenone 8.36
    methyl propionate 13.62
    isopentyl acetate 6.45
    trichloroethylene 36.44
    n-nonanol 4.66
    cyclohexanol 2.3
    benzyl alcohol 6.13
    2-ethylhexanol 2.07
    isooctanol 3.39
    dipropyl ether 3.63
    1,2-dichlorobenzene 4.48
    ethyl lactate 11.24
    propylene carbonate 17.63
    n-methylformamide 32.08
    2-pentanol 1.61
    n-pentane 0.04
    1-propoxy-2-propanol 16.24
    1-methoxy-2-propyl acetate 17.74
    2-(2-methoxypropoxy) propanol 21.09
    mesitylene 0.77
    ε-caprolactone 14.0
    p-cymene 1.31
    epichlorohydrin 46.52
    1,1,1-trichloroethane 8.05
    2-aminoethanol 7.12
    morpholine-4-carbaldehyde 45.54
    sulfolane 41.43
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 7.51
    n-hexyl acetate 8.96
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 27.18
    sec-butyl acetate 4.95
    tert-butyl acetate 10.05
    decalin 0.11
    glycerin 19.24
    diglyme 56.54
    acrylic acid 15.72
    isopropyl myristate 4.73
    n-butyric acid 13.18
    acetyl acetate 19.86
    di(2-ethylhexyl) phthalate 6.15
    ethyl propionate 8.33
    nitromethane 124.74
    1,2-diethoxyethane 12.11
    benzonitrile 9.52
    trioctyl phosphate 4.84
    1-bromopropane 1.86
    gamma-valerolactone 54.75
    n-decanol 3.43
    triethyl phosphate 7.01
    4-methyl-2-pentanol 2.14
    propionitrile 11.29
    vinylene carbonate 23.32
    1,1,2-trichlorotrifluoroethane 54.16
    DMS 11.84
    cumene 0.66
    2-octanol 2.38
    2-hexanone 5.81
    octyl acetate 6.09
    limonene 1.37
    1,2-dimethoxyethane 35.61
    ethyl orthosilicate 6.01
    tributyl phosphate 5.78
    diacetone alcohol 17.35
    N,N-dimethylaniline 3.65
    acrylonitrile 24.4
    aniline 3.66
    1,3-propanediol 13.0
    bromobenzene 2.76
    dibromomethane 7.65
    1,1,2,2-tetrachloroethane 22.54
    2-methyl-cyclohexyl acetate 6.79
    tetrabutyl urea 8.58
    diisobutyl methanol 2.07
    2-phenylethanol 6.91
    styrene 0.89
    dioctyl adipate 8.35
    dimethyl sulfate 38.53
    ethyl butyrate 7.53
    methyl lactate 19.25
    butyl lactate 9.63
    diethyl carbonate 7.28
    propanediol butyl ether 13.92
    triethyl orthoformate 7.77
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 12.74
    morpholine 18.52
    tert-butylamine 1.18
    n-dodecanol 2.64
    dimethoxymethane 49.13
    ethylene carbonate 18.9
    cyrene 22.24
    2-ethoxyethyl acetate 14.67
    2-ethylhexyl acetate 4.41
    1,2,4-trichlorobenzene 6.22
    4-methylpyridine 8.29
    dibutyl ether 4.22
    2,6-dimethyl-4-heptanol 2.07
    DEF 15.73
    dimethyl isosorbide 32.78
    tetrachloroethylene 12.49
    eugenol 15.41
    triacetin 18.98
    span 80 12.53
    1,4-butanediol 5.78
    1,1-dichloroethane 6.81
    2-methyl-1-pentanol 2.06
    methyl formate 30.67
    2-methyl-1-butanol 2.15
    n-decane 0.35
    butyronitrile 7.82
    3,7-dimethyl-1-octanol 4.0
    1-chlorooctane 1.7
    1-chlorotetradecane 0.85
    n-nonane 0.26
    undecane 0.27
    tert-butylcyclohexane 0.08
    cyclooctane 0.07
    cyclopentanol 3.46
    tetrahydropyran 6.03
    tert-amyl methyl ether 2.14
    2,5,8-trioxanonane 42.01
    1-hexene 0.18
    2-isopropoxyethanol 13.07
    2,2,2-trifluoroethanol 31.45
    methyl butyrate 9.77

    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