(2R,4S,4aR,8aR)-Decahydro-4,4a-dimethyl-6-(1-methylethylidene)-7-oxo-2-naphthalenyl (2Z)-3-(methylthio)-2-propenoate

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  • Identifiers

    CAS number
    36031-35-3

    Molecular formula
    C19H28O3S

    SMILES
    C[C@H]1C[C@H](C[C@H]2[C@@]1(CC(=C(C)C)C(=O)C2)C)OC(=O)/C=C\SC

    Safety labels

  • Odor profile

    Fragrance
    Mint 48.92%
    Herbal 45.22%
    Spicy 35.69%
    Sweet 29.48%
    Cooling 27.86%
    Fresh 25.36%
    Fruity 25.27%
    Woody 24.78%
    Roasted 23.85%
    Black currant 22.22%

     

    Flavor
    Minty 32.94%
    Bitter 27.45%
    Spicy 24.07%
    Herbal 23.4%
    Spice 21.83%
    Basil 20.54%
    Leaves 20.53%
    Lovage 20.05%
    Cedarleaf 19.68%
    Broom 19.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.47 (neutral)

    Molecular weight
    336.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    435°C

    Flash point

    • 172.2 ˚C est.

  • Synonyms

    • S-Japonin
    • SCHEMBL30693095
    • CHEBI:172080
    • DTXSID501106361
    • (2R,4S,4aR,8aR)-Decahydro-4,4a-dimethyl-6-(1-methylethylidene)-7-oxo-2-naphthalenyl (2Z)-3-(methylthio)-2-propenoate
    • [(2R,4S,4aR,8aR)-4,4a-dimethyl-7-oxo-6-propan-2-ylidene-2,3,4,5,8,8a-hexahydro-1H-naphthalen-2-yl] (Z)-3-methylsulanylprop-2-enoate
    • 36031-35-3
    • 36031-35-3

  • Applications

    Referred to as the compound (2R,4S,4aR,8aR)-Decahydro-4,4a-dimethyl-6-(1-methylethylidene)-7-oxo-2-naphthalenyl (2Z)-3-(methylthio)-2-propenoate, CAS 36031-35-3, this material is primarily regarded as an organic synthetic intermediate and a reactive monomer for specialty polymers; it may be used in coatings and inks as a reactive monomer to form UV-curable films and high-crosslink-density formulations, in plastics and polymers as a component of tailored polymer systems, in adhesives and sealants as a crosslinking or reactive-building additive, and in electronics and functional materials as a coating or UV/EB-curable resin for specialized substrates; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.39
    methanol 62.61
    isopropanol 70.67
    water 0.24
    ethyl acetate 94.97
    n-propanol 80.72
    acetone 124.82
    n-butanol 66.78
    acetonitrile 54.43
    DMF 193.82
    toluene 159.18
    isobutanol 57.85
    1,4-dioxane 358.06
    methyl acetate 94.64
    THF 474.2
    2-butanone 142.66
    n-pentanol 61.25
    sec-butanol 54.44
    n-hexane 1.2
    ethylene glycol 8.07
    NMP 165.92
    cyclohexane 7.76
    DMSO 126.26
    n-butyl acetate 81.92
    n-octanol 32.18
    chloroform 502.76
    n-propyl acetate 74.05
    acetic acid 59.37
    dichloromethane 348.18
    cyclohexanone 246.84
    propylene glycol 20.73
    isopropyl acetate 68.23
    DMAc 222.81
    2-ethoxyethanol 110.34
    isopentanol 61.66
    n-heptane 1.38
    ethyl formate 60.7
    1,2-dichloroethane 188.73
    n-hexanol 68.8
    2-methoxyethanol 136.91
    isobutyl acetate 59.92
    tetrachloromethane 32.87
    n-pentyl acetate 68.02
    transcutol 327.86
    n-heptanol 41.41
    ethylbenzene 51.22
    MIBK 72.48
    2-propoxyethanol 161.34
    tert-butanol 68.23
    MTBE 42.29
    2-butoxyethanol 97.54
    propionic acid 52.9
    o-xylene 69.09
    formic acid 24.07
    diethyl ether 55.91
    m-xylene 78.94
    p-xylene 75.91
    chlorobenzene 158.26
    dimethyl carbonate 42.47
    n-octane 1.11
    formamide 44.81
    cyclopentanone 250.83
    2-pentanone 104.93
    anisole 107.61
    cyclopentyl methyl ether 119.01
    gamma-butyrolactone 220.71
    1-methoxy-2-propanol 129.18
    pyridine 251.79
    3-pentanone 79.85
    furfural 204.71
    n-dodecane 1.41
    diethylene glycol 105.78
    diisopropyl ether 14.99
    tert-amyl alcohol 44.98
    acetylacetone 127.42
    n-hexadecane 1.74
    acetophenone 109.17
    methyl propionate 76.94
    isopentyl acetate 79.64
    trichloroethylene 409.61
    n-nonanol 32.66
    cyclohexanol 84.99
    benzyl alcohol 107.25
    2-ethylhexanol 37.84
    isooctanol 34.11
    dipropyl ether 26.75
    1,2-dichlorobenzene 126.35
    ethyl lactate 46.43
    propylene carbonate 118.24
    n-methylformamide 69.95
    2-pentanol 39.45
    n-pentane 1.45
    1-propoxy-2-propanol 103.86
    1-methoxy-2-propyl acetate 104.65
    2-(2-methoxypropoxy) propanol 90.65
    mesitylene 39.52
    ε-caprolactone 177.68
    p-cymene 27.56
    epichlorohydrin 311.15
    1,1,1-trichloroethane 149.23
    2-aminoethanol 30.44
    morpholine-4-carbaldehyde 226.57
    sulfolane 201.29
    2,2,4-trimethylpentane 1.7
    2-methyltetrahydrofuran 199.66
    n-hexyl acetate 76.46
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 123.11
    sec-butyl acetate 55.35
    tert-butyl acetate 71.57
    decalin 4.72
    glycerin 32.18
    diglyme 210.63
    acrylic acid 46.14
    isopropyl myristate 30.15
    n-butyric acid 81.57
    acetyl acetate 68.51
    di(2-ethylhexyl) phthalate 46.42
    ethyl propionate 56.09
    nitromethane 110.42
    1,2-diethoxyethane 104.13
    benzonitrile 129.11
    trioctyl phosphate 29.17
    1-bromopropane 77.45
    gamma-valerolactone 323.72
    n-decanol 24.26
    triethyl phosphate 35.48
    4-methyl-2-pentanol 31.5
    propionitrile 62.85
    vinylene carbonate 125.36
    1,1,2-trichlorotrifluoroethane 150.23
    DMS 77.92
    cumene 31.53
    2-octanol 26.39
    2-hexanone 78.38
    octyl acetate 41.52
    limonene 30.8
    1,2-dimethoxyethane 168.35
    ethyl orthosilicate 34.85
    tributyl phosphate 33.38
    diacetone alcohol 91.31
    N,N-dimethylaniline 64.48
    acrylonitrile 76.16
    aniline 140.77
    1,3-propanediol 61.4
    bromobenzene 160.71
    dibromomethane 206.22
    1,1,2,2-tetrachloroethane 313.82
    2-methyl-cyclohexyl acetate 63.69
    tetrabutyl urea 48.09
    diisobutyl methanol 22.1
    2-phenylethanol 111.71
    styrene 65.46
    dioctyl adipate 51.78
    dimethyl sulfate 61.37
    ethyl butyrate 53.78
    methyl lactate 47.76
    butyl lactate 61.53
    diethyl carbonate 40.94
    propanediol butyl ether 81.25
    triethyl orthoformate 44.94
    p-tert-butyltoluene 25.74
    methyl 4-tert-butylbenzoate 86.68
    morpholine 344.16
    tert-butylamine 31.36
    n-dodecanol 17.79
    dimethoxymethane 141.34
    ethylene carbonate 109.05
    cyrene 113.24
    2-ethoxyethyl acetate 112.04
    2-ethylhexyl acetate 64.59
    1,2,4-trichlorobenzene 153.35
    4-methylpyridine 244.93
    dibutyl ether 28.06
    2,6-dimethyl-4-heptanol 22.1
    DEF 89.58
    dimethyl isosorbide 165.61
    tetrachloroethylene 169.62
    eugenol 97.31
    triacetin 89.65
    span 80 78.7
    1,4-butanediol 31.28
    1,1-dichloroethane 177.25
    2-methyl-1-pentanol 57.23
    methyl formate 59.96
    2-methyl-1-butanol 52.1
    n-decane 2.44
    butyronitrile 70.12
    3,7-dimethyl-1-octanol 33.23
    1-chlorooctane 17.13
    1-chlorotetradecane 6.81
    n-nonane 1.78
    undecane 1.81
    tert-butylcyclohexane 3.45
    cyclooctane 2.16
    cyclopentanol 92.52
    tetrahydropyran 266.13
    tert-amyl methyl ether 31.75
    2,5,8-trioxanonane 143.9
    1-hexene 10.63
    2-isopropoxyethanol 86.87
    2,2,2-trifluoroethanol 29.3
    methyl butyrate 75.02

    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