Gonyauline

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  • Identifiers

    CAS number
    125559-51-5

    Molecular formula
    C6H10O2S

    SMILES
    C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Meaty 49.05%
    Roasted 42.35%
    Sulfurous 41.24%
    Savory 37.96%
    Cooked 29.33%
    Odorless 27.03%
    Onion 26.7%
    Nutty 25.77%
    Green 22.27%
    Fatty 21.03%

     

    Flavor
    Bitter 28.59%
    Odorless 26.15%
    Green 21.45%
    Tomato leaf 20.32%
    Roasted 20.31%
    Cedarleaf 20.25%
    Mild 20.19%
    Blackberry 19.86%
    Syrup 19.68%
    Bland 19.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.03 (weak acid)

    Molecular weight
    146.21 g/mol

    Flash point

    • 75.45 ˚C est.

  • Synonyms

    • Gonyauline
    • 125559-51-5
    • (1R,2R)-2-dimethylsulfoniocyclopropane-1-carboxylate
    • DTXSID90154788
    • S-Methyl-cis-2-(methylthio)cyclopropanecarboxylic acid
    • RefChem:144154
    • DTXCID0077279
    • (1R,2R)-2-(Dimethylsulfaniumyl)cyclopropane-1-carboxylate
    • Sulonium, (2-carboxycyclopropyl)dimethyl-, hydroxide, inner salt, (1S-cis)-
    • 125559-51-5

  • Applications

    Gonyauline (CAS 125559-51-5) may be used as an intermediate and solvent in industrial manufacturing; may serve as a stabilizer and processing aid in polymers and plastics; may function as an odorant or fixative in perfumery and fragrance applications; may be used in cleaning formulations as a component or processing aid; and may act as a functional additive in coatings, inks, or adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.02
    methanol 119.34
    isopropanol 53.79
    water 6.02
    ethyl acetate 49.65
    n-propanol 51.77
    acetone 72.85
    n-butanol 39.41
    acetonitrile 50.55
    DMF 94.78
    toluene 16.84
    isobutanol 32.16
    1,4-dioxane 119.46
    methyl acetate 66.45
    THF 128.29
    2-butanone 56.85
    n-pentanol 31.2
    sec-butanol 36.57
    n-hexane 1.95
    ethylene glycol 64.17
    NMP 72.52
    cyclohexane 4.16
    DMSO 119.66
    n-butyl acetate 39.71
    n-octanol 24.56
    chloroform 89.81
    n-propyl acetate 30.17
    acetic acid 56.2
    dichloromethane 65.41
    cyclohexanone 60.99
    propylene glycol 51.3
    isopropyl acetate 33.89
    DMAc 88.87
    2-ethoxyethanol 89.54
    isopentanol 34.17
    n-heptane 2.36
    ethyl formate 46.31
    1,2-dichloroethane 50.73
    n-hexanol 45.16
    2-methoxyethanol 143.88
    isobutyl acetate 19.79
    tetrachloromethane 17.57
    n-pentyl acetate 26.78
    transcutol 197.29
    n-heptanol 26.04
    ethylbenzene 13.85
    MIBK 33.54
    2-propoxyethanol 104.19
    tert-butanol 59.38
    MTBE 29.72
    2-butoxyethanol 62.88
    propionic acid 55.44
    o-xylene 17.57
    formic acid 71.72
    diethyl ether 29.73
    m-xylene 17.44
    p-xylene 17.71
    chlorobenzene 30.13
    dimethyl carbonate 25.61
    n-octane 1.59
    formamide 91.42
    cyclopentanone 83.71
    2-pentanone 41.4
    anisole 36.82
    cyclopentyl methyl ether 37.59
    gamma-butyrolactone 93.19
    1-methoxy-2-propanol 93.88
    pyridine 62.62
    3-pentanone 29.65
    furfural 102.67
    n-dodecane 1.74
    diethylene glycol 129.03
    diisopropyl ether 11.28
    tert-amyl alcohol 40.27
    acetylacetone 67.3
    n-hexadecane 2.01
    acetophenone 41.26
    methyl propionate 41.6
    isopentyl acetate 36.43
    trichloroethylene 92.96
    n-nonanol 22.85
    cyclohexanol 34.05
    benzyl alcohol 39.62
    2-ethylhexanol 23.99
    isooctanol 20.03
    dipropyl ether 17.22
    1,2-dichlorobenzene 34.75
    ethyl lactate 30.62
    propylene carbonate 51.99
    n-methylformamide 79.31
    2-pentanol 25.88
    n-pentane 2.08
    1-propoxy-2-propanol 66.04
    1-methoxy-2-propyl acetate 58.46
    2-(2-methoxypropoxy) propanol 55.39
    mesitylene 12.97
    ε-caprolactone 59.06
    p-cymene 13.36
    epichlorohydrin 104.62
    1,1,1-trichloroethane 43.95
    2-aminoethanol 78.82
    morpholine-4-carbaldehyde 110.25
    sulfolane 91.29
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 61.83
    n-hexyl acetate 36.12
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 79.9
    sec-butyl acetate 22.5
    tert-butyl acetate 39.53
    decalin 3.41
    glycerin 80.01
    diglyme 121.04
    acrylic acid 53.76
    isopropyl myristate 15.21
    n-butyric acid 48.63
    acetyl acetate 39.68
    di(2-ethylhexyl) phthalate 19.27
    ethyl propionate 27.31
    nitromethane 106.61
    1,2-diethoxyethane 47.9
    benzonitrile 40.97
    trioctyl phosphate 15.36
    1-bromopropane 19.93
    gamma-valerolactone 113.1
    n-decanol 17.08
    triethyl phosphate 20.36
    4-methyl-2-pentanol 20.17
    propionitrile 34.45
    vinylene carbonate 53.97
    1,1,2-trichlorotrifluoroethane 96.84
    DMS 39.29
    cumene 11.91
    2-octanol 18.11
    2-hexanone 30.25
    octyl acetate 20.01
    limonene 15.42
    1,2-dimethoxyethane 98.48
    ethyl orthosilicate 19.05
    tributyl phosphate 15.96
    diacetone alcohol 66.55
    N,N-dimethylaniline 27.23
    acrylonitrile 51.26
    aniline 33.07
    1,3-propanediol 85.59
    bromobenzene 25.86
    dibromomethane 43.75
    1,1,2,2-tetrachloroethane 78.51
    2-methyl-cyclohexyl acetate 28.13
    tetrabutyl urea 22.44
    diisobutyl methanol 16.6
    2-phenylethanol 51.9
    styrene 14.45
    dioctyl adipate 20.56
    dimethyl sulfate 41.63
    ethyl butyrate 27.71
    methyl lactate 45.13
    butyl lactate 33.55
    diethyl carbonate 23.02
    propanediol butyl ether 65.59
    triethyl orthoformate 23.25
    p-tert-butyltoluene 12.93
    methyl 4-tert-butylbenzoate 38.01
    morpholine 107.16
    tert-butylamine 28.42
    n-dodecanol 12.82
    dimethoxymethane 69.69
    ethylene carbonate 43.84
    cyrene 53.29
    2-ethoxyethyl acetate 46.4
    2-ethylhexyl acetate 27.74
    1,2,4-trichlorobenzene 41.29
    4-methylpyridine 47.83
    dibutyl ether 16.08
    2,6-dimethyl-4-heptanol 16.6
    DEF 41.76
    dimethyl isosorbide 79.36
    tetrachloroethylene 62.36
    eugenol 49.36
    triacetin 36.96
    span 80 43.09
    1,4-butanediol 43.2
    1,1-dichloroethane 45.54
    2-methyl-1-pentanol 27.49
    methyl formate 67.19
    2-methyl-1-butanol 27.0
    n-decane 2.6
    butyronitrile 29.59
    3,7-dimethyl-1-octanol 23.96
    1-chlorooctane 11.55
    1-chlorotetradecane 5.3
    n-nonane 2.18
    undecane 2.1
    tert-butylcyclohexane 3.02
    cyclooctane 2.07
    cyclopentanol 44.95
    tetrahydropyran 54.03
    tert-amyl methyl ether 22.09
    2,5,8-trioxanonane 90.48
    1-hexene 7.13
    2-isopropoxyethanol 55.24
    2,2,2-trifluoroethanol 45.5
    methyl butyrate 34.35

    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