Sonchuside A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    111618-82-7

    Molecular formula
    C21H32O8

    SMILES
    C[C@H]1[C@H]2CC/C(=C/C[C@@H](/C(=C/[C@H]2OC1=O)/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.11%
    Sweet 33.56%
    Spicy 32.46%
    Caramellic 24.54%
    Vanilla 24.34%
    Woody 22.37%
    Mint 21.68%
    Milky 20.03%
    Lactonic 19.98%
    Creamy 18.68%

     

    Flavor
    Bitter 66.87%
    Fatty 30.09%
    Sweet-like 23.8%
    Odorless 21.8%
    Cedarleaf 21.41%
    Cauliflower 20.94%
    Leaves 20.59%
    Alkaline 20.42%
    Fenugreek 20.26%
    Green tea 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.7 (neutral)

    Molecular weight
    412.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1796°C

    Flash point

    • 236.92 ˚C est.

  • Synonyms

    • Sonchuside A
    • RefChem:1098888
    • 111618-82-7
    • (3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca(b)furan-2-one
    • SCHEMBL31591137
    • 111618-82-7

  • Applications

    Sonchuside A (CAS 111618-82-7) may be evaluated as a synthetic intermediate in natural product-inspired chemistry and in pharmaceutical or agrochemical R&D; it could also be explored as a fragrance ingredient for perfumery and cosmetics, and as a cosmetic/personal care additive. In addition, it is sometimes used as an analytical reference standard in natural products research, and may serve as a specialty additive in coatings or inks under appropriate regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.86
    methanol 101.71
    isopropanol 10.45
    water 4.25
    ethyl acetate 13.37
    n-propanol 17.46
    acetone 39.54
    n-butanol 16.6
    acetonitrile 9.39
    DMF 66.19
    toluene 5.44
    isobutanol 8.04
    1,4-dioxane 49.35
    methyl acetate 10.72
    THF 107.15
    2-butanone 17.13
    n-pentanol 14.21
    sec-butanol 7.72
    n-hexane 0.29
    ethylene glycol 22.02
    NMP 66.87
    cyclohexane 1.21
    DMSO 253.27
    n-butyl acetate 4.82
    n-octanol 9.34
    chloroform 13.78
    n-propyl acetate 6.54
    acetic acid 150.85
    dichloromethane 12.78
    cyclohexanone 41.22
    propylene glycol 19.3
    isopropyl acetate 9.82
    DMAc 102.72
    2-ethoxyethanol 79.97
    isopentanol 11.18
    n-heptane 0.56
    ethyl formate 13.91
    1,2-dichloroethane 9.68
    n-hexanol 8.61
    2-methoxyethanol 117.59
    isobutyl acetate 4.44
    tetrachloromethane 2.5
    n-pentyl acetate 11.06
    transcutol 129.42
    n-heptanol 11.58
    ethylbenzene 2.8
    MIBK 12.16
    2-propoxyethanol 48.4
    tert-butanol 9.17
    MTBE 4.65
    2-butoxyethanol 41.93
    propionic acid 20.93
    o-xylene 4.36
    formic acid 135.85
    diethyl ether 8.67
    m-xylene 4.47
    p-xylene 3.32
    chlorobenzene 4.55
    dimethyl carbonate 16.47
    n-octane 0.48
    formamide 121.74
    cyclopentanone 52.83
    2-pentanone 20.02
    anisole 9.0
    cyclopentyl methyl ether 20.52
    gamma-butyrolactone 52.67
    1-methoxy-2-propanol 63.16
    pyridine 24.61
    3-pentanone 12.1
    furfural 47.54
    n-dodecane 0.35
    diethylene glycol 63.94
    diisopropyl ether 2.27
    tert-amyl alcohol 7.5
    acetylacetone 38.71
    n-hexadecane 0.41
    acetophenone 14.23
    methyl propionate 14.63
    isopentyl acetate 6.27
    trichloroethylene 22.04
    n-nonanol 9.85
    cyclohexanol 13.24
    benzyl alcohol 19.27
    2-ethylhexanol 4.45
    isooctanol 9.07
    dipropyl ether 4.34
    1,2-dichlorobenzene 4.69
    ethyl lactate 12.4
    propylene carbonate 19.66
    n-methylformamide 41.56
    2-pentanol 6.99
    n-pentane 0.46
    1-propoxy-2-propanol 22.76
    1-methoxy-2-propyl acetate 14.96
    2-(2-methoxypropoxy) propanol 29.7
    mesitylene 2.89
    ε-caprolactone 33.69
    p-cymene 2.34
    epichlorohydrin 52.72
    1,1,1-trichloroethane 5.23
    2-aminoethanol 36.08
    morpholine-4-carbaldehyde 92.43
    sulfolane 91.63
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 23.83
    n-hexyl acetate 13.46
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 50.58
    sec-butyl acetate 4.71
    tert-butyl acetate 10.3
    decalin 0.57
    glycerin 54.19
    diglyme 80.48
    acrylic acid 33.47
    isopropyl myristate 4.91
    n-butyric acid 30.47
    acetyl acetate 15.86
    di(2-ethylhexyl) phthalate 9.46
    ethyl propionate 6.07
    nitromethane 101.3
    1,2-diethoxyethane 17.29
    benzonitrile 9.04
    trioctyl phosphate 6.86
    1-bromopropane 3.24
    gamma-valerolactone 100.99
    n-decanol 6.3
    triethyl phosphate 5.2
    4-methyl-2-pentanol 4.86
    propionitrile 5.07
    vinylene carbonate 21.59
    1,1,2-trichlorotrifluoroethane 67.78
    DMS 10.47
    cumene 2.17
    2-octanol 6.24
    2-hexanone 9.83
    octyl acetate 7.88
    limonene 3.12
    1,2-dimethoxyethane 56.22
    ethyl orthosilicate 5.21
    tributyl phosphate 5.93
    diacetone alcohol 26.63
    N,N-dimethylaniline 8.06
    acrylonitrile 9.34
    aniline 11.95
    1,3-propanediol 57.25
    bromobenzene 3.61
    dibromomethane 6.99
    1,1,2,2-tetrachloroethane 17.0
    2-methyl-cyclohexyl acetate 8.27
    tetrabutyl urea 10.24
    diisobutyl methanol 2.95
    2-phenylethanol 14.46
    styrene 2.93
    dioctyl adipate 10.61
    dimethyl sulfate 29.57
    ethyl butyrate 4.94
    methyl lactate 25.79
    butyl lactate 15.49
    diethyl carbonate 3.69
    propanediol butyl ether 39.06
    triethyl orthoformate 6.19
    p-tert-butyltoluene 2.33
    methyl 4-tert-butylbenzoate 20.12
    morpholine 57.81
    tert-butylamine 2.78
    n-dodecanol 4.23
    dimethoxymethane 57.84
    ethylene carbonate 17.65
    cyrene 45.25
    2-ethoxyethyl acetate 21.22
    2-ethylhexyl acetate 4.32
    1,2,4-trichlorobenzene 7.51
    4-methylpyridine 15.5
    dibutyl ether 4.62
    2,6-dimethyl-4-heptanol 2.95
    DEF 27.08
    dimethyl isosorbide 40.68
    tetrachloroethylene 14.15
    eugenol 23.64
    triacetin 20.88
    span 80 26.5
    1,4-butanediol 25.08
    1,1-dichloroethane 4.74
    2-methyl-1-pentanol 10.44
    methyl formate 34.91
    2-methyl-1-butanol 9.38
    n-decane 0.68
    butyronitrile 6.83
    3,7-dimethyl-1-octanol 6.73
    1-chlorooctane 2.69
    1-chlorotetradecane 1.0
    n-nonane 0.58
    undecane 0.46
    tert-butylcyclohexane 0.36
    cyclooctane 0.7
    cyclopentanol 16.38
    tetrahydropyran 22.78
    tert-amyl methyl ether 5.29
    2,5,8-trioxanonane 56.9
    1-hexene 1.13
    2-isopropoxyethanol 36.86
    2,2,2-trifluoroethanol 42.41
    methyl butyrate 8.68

    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