Sesartemin

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  • Identifiers

    CAS number
    77394-27-5

    Molecular formula
    C23H26O8

    SMILES
    COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 45.36%
    Floral 44.77%
    Spicy 40.4%
    Sweet 31.6%
    Powdery 30.01%
    Balsamic 26.52%
    Phenolic 25.93%
    Woody 23.55%
    Odorless 23.32%
    Creamy 23.25%

     

    Flavor
    Bitter 83.08%
    Bland 24.37%
    Parsley 20.9%
    Sweet-like 20.39%
    Cedarleaf 20.2%
    Eugenol 19.08%
    Carrot 18.84%
    Cereal 18.39%
    Ripe apricot 18.35%
    Lovage 18.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.7 (weak acid)

    Molecular weight
    430.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    788°C

    Flash point

    • 195.16 ˚C est.

  • Synonyms

    • Sesartemin
    • 77394-27-5
    • DTXSID90321716
    • RefChem:1098485
    • DTXCID90272835
    • NSC380470
    • 6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
    • CHEBI:9128
    • SESARTEMIN-(+)
    • CHEMBL1980572
    • (+)-Sesartemin
    • NSC 380470
    • C23H26O8
    • orb1681701
    • BDBM50541533
    • AKOS032948911
    • FS-9438
    • NSC-380470
    • NCI60_003597
    • Q27108283
    • 1,3-Benzodioxole, 4-methoxy-6-[(1S,3aR,4S,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-
    • 4-Methoxy-6-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
    • 77394-27-5

  • Applications

    Sesartemin (CAS 77394-27-5) is used primarily as a fragrance ingredient in perfumery and cosmetics, functioning as an odorant and, in some applications, as a fixative to extend scent durability. It is commonly evaluated for use in household products such as cleaners and air fresheners where it contributes a lasting aroma. In industrial formulations, it may serve as a fragrance component in coatings and inks, and it is sometimes considered for use as an aroma additive in polymers or plastics formulations. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.15
    methanol 3.45
    isopropanol 2.14
    water 0.45
    ethyl acetate 18.86
    n-propanol 2.46
    acetone 16.56
    n-butanol 2.71
    acetonitrile 18.86
    DMF 22.97
    toluene 3.92
    isobutanol 2.4
    1,4-dioxane 18.1
    methyl acetate 16.82
    THF 26.32
    2-butanone 12.03
    n-pentanol 2.72
    sec-butanol 2.09
    n-hexane 0.25
    ethylene glycol 3.13
    NMP 32.98
    cyclohexane 0.75
    DMSO 28.08
    n-butyl acetate 10.53
    n-octanol 4.67
    chloroform 97.83
    n-propyl acetate 9.94
    acetic acid 34.32
    dichloromethane 82.12
    cyclohexanone 24.48
    propylene glycol 1.26
    isopropyl acetate 13.13
    DMAc 43.7
    2-ethoxyethanol 11.72
    isopentanol 3.81
    n-heptane 0.6
    ethyl formate 13.63
    1,2-dichloroethane 33.74
    n-hexanol 3.77
    2-methoxyethanol 13.55
    isobutyl acetate 8.21
    tetrachloromethane 11.38
    n-pentyl acetate 11.71
    transcutol 24.62
    n-heptanol 4.94
    ethylbenzene 2.26
    MIBK 10.08
    2-propoxyethanol 16.51
    tert-butanol 3.66
    MTBE 3.75
    2-butoxyethanol 15.51
    propionic acid 11.7
    o-xylene 3.25
    formic acid 20.08
    diethyl ether 5.29
    m-xylene 3.1
    p-xylene 3.3
    chlorobenzene 10.62
    dimethyl carbonate 23.67
    n-octane 0.46
    formamide 27.76
    cyclopentanone 32.38
    2-pentanone 12.19
    anisole 5.29
    cyclopentyl methyl ether 9.89
    gamma-butyrolactone 47.25
    1-methoxy-2-propanol 10.06
    pyridine 17.39
    3-pentanone 11.77
    furfural 41.53
    n-dodecane 0.48
    diethylene glycol 17.9
    diisopropyl ether 2.3
    tert-amyl alcohol 3.32
    acetylacetone 29.38
    n-hexadecane 0.56
    acetophenone 11.26
    methyl propionate 16.87
    isopentyl acetate 11.43
    trichloroethylene 91.04
    n-nonanol 5.16
    cyclohexanol 4.92
    benzyl alcohol 6.81
    2-ethylhexanol 3.84
    isooctanol 4.87
    dipropyl ether 4.85
    1,2-dichlorobenzene 15.36
    ethyl lactate 9.38
    propylene carbonate 27.14
    n-methylformamide 14.43
    2-pentanol 2.23
    n-pentane 0.3
    1-propoxy-2-propanol 11.53
    1-methoxy-2-propyl acetate 19.63
    2-(2-methoxypropoxy) propanol 15.33
    mesitylene 2.17
    ε-caprolactone 25.99
    p-cymene 3.38
    epichlorohydrin 49.99
    1,1,1-trichloroethane 30.78
    2-aminoethanol 3.24
    morpholine-4-carbaldehyde 36.72
    sulfolane 50.01
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 11.71
    n-hexyl acetate 11.86
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 16.4
    sec-butyl acetate 7.77
    tert-butyl acetate 12.53
    decalin 0.51
    glycerin 6.15
    diglyme 35.24
    acrylic acid 18.37
    isopropyl myristate 5.64
    n-butyric acid 16.13
    acetyl acetate 30.28
    di(2-ethylhexyl) phthalate 7.98
    ethyl propionate 11.22
    nitromethane 80.55
    1,2-diethoxyethane 10.36
    benzonitrile 13.01
    trioctyl phosphate 6.14
    1-bromopropane 7.88
    gamma-valerolactone 44.84
    n-decanol 3.66
    triethyl phosphate 10.16
    4-methyl-2-pentanol 2.75
    propionitrile 10.89
    vinylene carbonate 33.9
    1,1,2-trichlorotrifluoroethane 55.62
    DMS 16.0
    cumene 2.04
    2-octanol 3.37
    2-hexanone 8.25
    octyl acetate 7.36
    limonene 3.76
    1,2-dimethoxyethane 19.07
    ethyl orthosilicate 8.65
    tributyl phosphate 7.3
    diacetone alcohol 14.61
    N,N-dimethylaniline 4.65
    acrylonitrile 20.4
    aniline 6.27
    1,3-propanediol 5.68
    bromobenzene 11.13
    dibromomethane 36.05
    1,1,2,2-tetrachloroethane 58.96
    2-methyl-cyclohexyl acetate 11.39
    tetrabutyl urea 10.16
    diisobutyl methanol 2.99
    2-phenylethanol 9.16
    styrene 2.34
    dioctyl adipate 9.93
    dimethyl sulfate 38.75
    ethyl butyrate 10.74
    methyl lactate 13.37
    butyl lactate 10.82
    diethyl carbonate 10.49
    propanediol butyl ether 8.66
    triethyl orthoformate 10.05
    p-tert-butyltoluene 2.86
    methyl 4-tert-butylbenzoate 17.77
    morpholine 15.46
    tert-butylamine 1.88
    n-dodecanol 2.76
    dimethoxymethane 22.19
    ethylene carbonate 28.07
    cyrene 21.14
    2-ethoxyethyl acetate 18.6
    2-ethylhexyl acetate 9.43
    1,2,4-trichlorobenzene 17.41
    4-methylpyridine 12.31
    dibutyl ether 4.65
    2,6-dimethyl-4-heptanol 2.99
    DEF 17.86
    dimethyl isosorbide 29.67
    tetrachloroethylene 44.19
    eugenol 16.21
    triacetin 20.46
    span 80 10.79
    1,4-butanediol 3.29
    1,1-dichloroethane 21.5
    2-methyl-1-pentanol 3.54
    methyl formate 17.12
    2-methyl-1-butanol 3.19
    n-decane 0.81
    butyronitrile 8.57
    3,7-dimethyl-1-octanol 4.55
    1-chlorooctane 3.3
    1-chlorotetradecane 1.54
    n-nonane 0.65
    undecane 0.59
    tert-butylcyclohexane 0.39
    cyclooctane 0.43
    cyclopentanol 5.5
    tetrahydropyran 9.22
    tert-amyl methyl ether 3.97
    2,5,8-trioxanonane 25.47
    1-hexene 0.91
    2-isopropoxyethanol 10.2
    2,2,2-trifluoroethanol 35.09
    methyl butyrate 12.89

    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