Sesamolin

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  • Identifiers

    CAS number
    526-07-8

    Molecular formula
    C20H18O7

    SMILES
    C1[C@H]2[C@H](CO[C@@H]2OC3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 49.59%
    Floral 49.08%
    Spicy 39.5%
    Vanilla 28.99%
    Aromatic 26.46%
    Powdery 24.6%
    Balsamic 24.4%
    Animal 23.63%
    Phenolic 21.42%
    Odorless 18.83%

     

    Flavor
    Bitter 88.94%
    Sweet-like 19.48%
    Bland 18.35%
    Cedarleaf 18.2%
    Naphthalic 18.12%
    Cereal 17.96%
    Parsley 17.39%
    Alkaline 17.38%
    Eugenol 16.88%
    Indole 16.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.8 (weak acid)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    600°C

    Flash point

    • 208.68 ˚C est.

  • Synonyms

    • Sesamolin
    • 526-07-8
    • 7A90TJ149G
    • 5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
    • DTXSID90878472
    • 5-(((3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)oxy)-1,3-benzodioxole
    • RefChem:49742
    • DTXCID301323428
    • MFCD04112844
    • 1,3-Benzodioxole,5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-,(1S,3aR,4R,6aR)-
    • UNII-7A90TJ149G
    • Sesamolin (Standard)
    • SESAMOLIN [MI]
    • AI3-20978
    • SCHEMBL163696
    • orb1301246
    • CHEMBL2059646
    • SCHEMBL29355027
    • HY-N0809R
    • MSK5402
    • CHEBI:175751
    • HY-N0809
    • EBC-24057
    • AKOS030573689
    • FS46647
    • 5-[(1S,3aR,4R,6aR)-4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
    • AC-35092
    • AS-74827
    • DA-67550
    • CS-0009814
    • NS00096654
    • A1-06842
    • Q15720551
    • (1S,3AR,4R,6AR)-5-(4-(1,3-BENZODIOXOL-5-YLOXY)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-1,3-BENZODIOXOLE
    • 1,3-BENZODIOXOL-5-YL (1R,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)PERHYDROFURO(3,4-C)FURAN-1-YL ETHER
    • 1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-
    • 1,3-benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy) tetrahydro-1H,3H-furo[3,4-c]furan-1-yl],1S-(1,3,4,6alpha)
    • 5-[(1S,3aR,4R,6aR)-4-(1,3-dioxaindan-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-1,3-dioxaindane
    • 5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]oxy]-1,3-benzodioxole
    • 5-{(1S,3aR,4R,6aR)-4-[(2H-1,3-Benzodioxol-5-yl)oxy]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2H-1,3-benzodioxole
    • 526-07-8

  • Applications

    Sesamolin (CAS 526-07-8) is a natural sesame-derived lignan used primarily as an antioxidant and stabilizer in edible oils and fats to extend shelf life; it is evaluated for cosmetic and personal care formulations as an antioxidant and stabilizer; in perfumery and flavor applications it can contribute sesame-like notes or serve as a minor aroma component; in polymer and coating formulations it is investigated as an oxidative stabilizer to improve the durability of plastics and coatings; and it is sometimes considered as a precursor or building block for synthesis of related lignans, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.1
    methanol 11.17
    isopropanol 6.49
    water 1.08
    ethyl acetate 27.25
    n-propanol 7.44
    acetone 36.82
    n-butanol 7.47
    acetonitrile 49.36
    DMF 84.36
    toluene 3.93
    isobutanol 5.66
    1,4-dioxane 40.8
    methyl acetate 30.66
    THF 84.74
    2-butanone 25.88
    n-pentanol 7.01
    sec-butanol 6.1
    n-hexane 0.14
    ethylene glycol 13.41
    NMP 39.74
    cyclohexane 0.41
    DMSO 127.19
    n-butyl acetate 10.55
    n-octanol 7.68
    chloroform 85.27
    n-propyl acetate 17.93
    acetic acid 77.82
    dichloromethane 87.32
    cyclohexanone 27.53
    propylene glycol 8.5
    isopropyl acetate 20.39
    DMAc 111.85
    2-ethoxyethanol 50.97
    isopentanol 8.9
    n-heptane 0.54
    ethyl formate 24.27
    1,2-dichloroethane 33.05
    n-hexanol 5.22
    2-methoxyethanol 68.92
    isobutyl acetate 12.18
    tetrachloromethane 4.96
    n-pentyl acetate 12.32
    transcutol 121.98
    n-heptanol 6.42
    ethylbenzene 2.25
    MIBK 17.06
    2-propoxyethanol 43.33
    tert-butanol 8.35
    MTBE 6.67
    2-butoxyethanol 28.01
    propionic acid 21.0
    o-xylene 2.79
    formic acid 55.03
    diethyl ether 8.76
    m-xylene 3.09
    p-xylene 3.21
    chlorobenzene 8.9
    dimethyl carbonate 39.24
    n-octane 0.38
    formamide 99.74
    cyclopentanone 50.96
    2-pentanone 19.31
    anisole 13.79
    cyclopentyl methyl ether 18.39
    gamma-butyrolactone 72.63
    1-methoxy-2-propanol 49.34
    pyridine 34.19
    3-pentanone 16.46
    furfural 70.25
    n-dodecane 0.55
    diethylene glycol 48.41
    diisopropyl ether 3.35
    tert-amyl alcohol 7.7
    acetylacetone 50.46
    n-hexadecane 0.64
    acetophenone 19.52
    methyl propionate 30.48
    isopentyl acetate 11.5
    trichloroethylene 94.94
    n-nonanol 8.73
    cyclohexanol 7.35
    benzyl alcohol 16.05
    2-ethylhexanol 4.95
    isooctanol 6.32
    dipropyl ether 8.32
    1,2-dichlorobenzene 12.02
    ethyl lactate 21.91
    propylene carbonate 33.43
    n-methylformamide 50.38
    2-pentanol 5.47
    n-pentane 0.18
    1-propoxy-2-propanol 26.8
    1-methoxy-2-propyl acetate 27.2
    2-(2-methoxypropoxy) propanol 37.89
    mesitylene 1.96
    ε-caprolactone 29.38
    p-cymene 2.74
    epichlorohydrin 104.19
    1,1,1-trichloroethane 21.56
    2-aminoethanol 15.53
    morpholine-4-carbaldehyde 76.54
    sulfolane 66.57
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 22.63
    n-hexyl acetate 16.22
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 46.0
    sec-butyl acetate 12.15
    tert-butyl acetate 18.75
    decalin 0.38
    glycerin 32.05
    diglyme 96.36
    acrylic acid 32.65
    isopropyl myristate 8.85
    n-butyric acid 27.58
    acetyl acetate 35.4
    di(2-ethylhexyl) phthalate 10.97
    ethyl propionate 19.83
    nitromethane 193.81
    1,2-diethoxyethane 24.53
    benzonitrile 21.22
    trioctyl phosphate 8.36
    1-bromopropane 7.61
    gamma-valerolactone 84.33
    n-decanol 6.62
    triethyl phosphate 13.01
    4-methyl-2-pentanol 5.32
    propionitrile 25.07
    vinylene carbonate 41.64
    1,1,2-trichlorotrifluoroethane 88.06
    DMS 19.51
    cumene 1.98
    2-octanol 4.75
    2-hexanone 15.18
    octyl acetate 11.16
    limonene 3.03
    1,2-dimethoxyethane 71.26
    ethyl orthosilicate 11.46
    tributyl phosphate 10.58
    diacetone alcohol 28.05
    N,N-dimethylaniline 9.08
    acrylonitrile 45.85
    aniline 10.13
    1,3-propanediol 25.26
    bromobenzene 8.77
    dibromomethane 31.32
    1,1,2,2-tetrachloroethane 57.5
    2-methyl-cyclohexyl acetate 12.51
    tetrabutyl urea 14.29
    diisobutyl methanol 4.0
    2-phenylethanol 13.25
    styrene 2.93
    dioctyl adipate 15.83
    dimethyl sulfate 59.28
    ethyl butyrate 15.59
    methyl lactate 31.79
    butyl lactate 16.25
    diethyl carbonate 13.98
    propanediol butyl ether 22.63
    triethyl orthoformate 15.13
    p-tert-butyltoluene 2.32
    methyl 4-tert-butylbenzoate 21.88
    morpholine 43.48
    tert-butylamine 3.02
    n-dodecanol 5.2
    dimethoxymethane 80.28
    ethylene carbonate 33.3
    cyrene 37.95
    2-ethoxyethyl acetate 24.44
    2-ethylhexyl acetate 8.32
    1,2,4-trichlorobenzene 15.4
    4-methylpyridine 19.77
    dibutyl ether 9.25
    2,6-dimethyl-4-heptanol 4.0
    DEF 33.0
    dimethyl isosorbide 52.02
    tetrachloroethylene 29.77
    eugenol 26.64
    triacetin 33.97
    span 80 22.0
    1,4-butanediol 14.43
    1,1-dichloroethane 22.16
    2-methyl-1-pentanol 7.46
    methyl formate 48.29
    2-methyl-1-butanol 7.46
    n-decane 0.87
    butyronitrile 19.64
    3,7-dimethyl-1-octanol 8.18
    1-chlorooctane 3.88
    1-chlorotetradecane 1.89
    n-nonane 0.68
    undecane 0.66
    tert-butylcyclohexane 0.29
    cyclooctane 0.24
    cyclopentanol 9.96
    tetrahydropyran 17.1
    tert-amyl methyl ether 7.01
    2,5,8-trioxanonane 73.38
    1-hexene 0.8
    2-isopropoxyethanol 30.38
    2,2,2-trifluoroethanol 54.53
    methyl butyrate 22.69

    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