(1S,2R,4aS,8aR)-alpha-Ethenyl-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-alpha,1,2,4a-tetramethyl-1-naphthalenepropanol

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  • Identifiers

    CAS number
    56497-92-8

    Molecular formula
    C20H34O2

    SMILES
    C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CCC(C)(C=C)O)CCC=C2CO)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.34%
    Sandalwood 53.1%
    Sweet 52.39%
    Amber 50.84%
    Balsamic 48.56%
    Dry 41.28%
    Cedar 38.82%
    Floral 37.32%
    Powdery 36.68%
    Musk 33.58%

     

    Flavor
    Woody 74.36%
    Sweet 68.68%
    Floral 43.82%
    Balsam 43.17%
    Herbal 40.7%
    Wood 35.22%
    Tropical 35.19%
    Green 35.02%
    Citrus 33.33%
    Violet 31.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.19 (weak base)

    Molecular weight
    306.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Flash point

    • 172.77 ˚C est.

  • Synonyms

    • 56497-92-8
    • RefChem:205173
    • (1S,2R,4aS,8aR)-alpha-Ethenyl-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-alpha,1,2,4a-tetramethyl-1-naphthalenepropanol
    • DTXSID801107063
    • (1S,2R,4aS,8aR)-I+/--Ethenyl-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-I+/-,1,2,4a-tetramethyl-1-naphthalenepropanol
    • 56497-92-8

  • Applications

    Potential applications for (1S,2R,4aS,8aR)-alpha-Ethenyl-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-alpha,1,2,4a-tetramethyl-1-naphthalenepropanol include its use as a chiral building block and chemical intermediate in pharmaceutical synthesis; as a reactive vinyl monomer or functional additive in specialty polymers and plastics; as a fragrance-related intermediate or scent precursor in perfumery and cosmetics; as a crosslinkable reactive intermediate in coatings and inks; and as a starting material in the industrial manufacture of downstream fine chemicals (CAS 56497-92-8).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.76
    methanol 113.7
    isopropanol 169.32
    water 0.16
    ethyl acetate 197.82
    n-propanol 201.97
    acetone 219.97
    n-butanol 175.92
    acetonitrile 74.32
    DMF 479.86
    toluene 222.9
    isobutanol 125.46
    1,4-dioxane 483.1
    methyl acetate 135.57
    THF 1099.4
    2-butanone 214.28
    n-pentanol 69.33
    sec-butanol 105.64
    n-hexane 5.64
    ethylene glycol 10.62
    NMP 205.34
    cyclohexane 20.6
    DMSO 197.37
    n-butyl acetate 144.78
    n-octanol 52.03
    chloroform 354.41
    n-propyl acetate 94.74
    acetic acid 59.19
    dichloromethane 221.51
    cyclohexanone 298.17
    propylene glycol 28.04
    isopropyl acetate 165.32
    DMAc 285.24
    2-ethoxyethanol 130.39
    isopentanol 128.35
    n-heptane 6.94
    ethyl formate 66.13
    1,2-dichloroethane 164.34
    n-hexanol 125.22
    2-methoxyethanol 254.84
    isobutyl acetate 80.33
    tetrachloromethane 57.26
    n-pentyl acetate 110.59
    transcutol 705.86
    n-heptanol 68.99
    ethylbenzene 66.88
    MIBK 146.74
    2-propoxyethanol 271.49
    tert-butanol 180.93
    MTBE 198.29
    2-butoxyethanol 155.76
    propionic acid 65.31
    o-xylene 95.61
    formic acid 21.0
    diethyl ether 243.93
    m-xylene 135.96
    p-xylene 75.47
    chlorobenzene 138.77
    dimethyl carbonate 100.97
    n-octane 2.71
    formamide 45.84
    cyclopentanone 403.62
    2-pentanone 197.21
    anisole 147.86
    cyclopentyl methyl ether 289.7
    gamma-butyrolactone 330.37
    1-methoxy-2-propanol 287.96
    pyridine 288.67
    3-pentanone 141.69
    furfural 225.19
    n-dodecane 1.64
    diethylene glycol 136.56
    diisopropyl ether 62.92
    tert-amyl alcohol 107.08
    acetylacetone 228.62
    n-hexadecane 2.07
    acetophenone 112.17
    methyl propionate 166.82
    isopentyl acetate 153.26
    trichloroethylene 329.8
    n-nonanol 50.76
    cyclohexanol 126.88
    benzyl alcohol 92.51
    2-ethylhexanol 65.24
    isooctanol 57.49
    dipropyl ether 103.14
    1,2-dichlorobenzene 121.52
    ethyl lactate 55.57
    propylene carbonate 149.93
    n-methylformamide 121.41
    2-pentanol 100.82
    n-pentane 9.65
    1-propoxy-2-propanol 210.66
    1-methoxy-2-propyl acetate 236.74
    2-(2-methoxypropoxy) propanol 135.22
    mesitylene 73.36
    ε-caprolactone 226.65
    p-cymene 44.13
    epichlorohydrin 387.81
    1,1,1-trichloroethane 166.62
    2-aminoethanol 46.52
    morpholine-4-carbaldehyde 323.37
    sulfolane 298.51
    2,2,4-trimethylpentane 6.4
    2-methyltetrahydrofuran 355.58
    n-hexyl acetate 134.11
    isooctane 6.82
    2-(2-butoxyethoxy)ethanol 206.69
    sec-butyl acetate 84.06
    tert-butyl acetate 192.72
    decalin 9.5
    glycerin 51.73
    diglyme 395.0
    acrylic acid 50.22
    isopropyl myristate 47.08
    n-butyric acid 130.85
    acetyl acetate 116.33
    di(2-ethylhexyl) phthalate 53.76
    ethyl propionate 97.39
    nitromethane 142.37
    1,2-diethoxyethane 207.76
    benzonitrile 107.84
    trioctyl phosphate 39.68
    1-bromopropane 105.68
    gamma-valerolactone 472.45
    n-decanol 33.83
    triethyl phosphate 56.28
    4-methyl-2-pentanol 70.31
    propionitrile 107.96
    vinylene carbonate 144.37
    1,1,2-trichlorotrifluoroethane 196.06
    DMS 119.76
    cumene 41.99
    2-octanol 41.14
    2-hexanone 88.27
    octyl acetate 58.06
    limonene 55.57
    1,2-dimethoxyethane 294.61
    ethyl orthosilicate 58.39
    tributyl phosphate 43.23
    diacetone alcohol 181.15
    N,N-dimethylaniline 97.05
    acrylonitrile 106.43
    aniline 181.88
    1,3-propanediol 99.26
    bromobenzene 145.09
    dibromomethane 145.8
    1,1,2,2-tetrachloroethane 288.86
    2-methyl-cyclohexyl acetate 93.53
    tetrabutyl urea 60.17
    diisobutyl methanol 47.51
    2-phenylethanol 126.31
    styrene 76.21
    dioctyl adipate 68.67
    dimethyl sulfate 144.96
    ethyl butyrate 103.7
    methyl lactate 87.72
    butyl lactate 94.79
    diethyl carbonate 67.59
    propanediol butyl ether 137.24
    triethyl orthoformate 93.87
    p-tert-butyltoluene 47.05
    methyl 4-tert-butylbenzoate 131.5
    morpholine 566.21
    tert-butylamine 107.62
    n-dodecanol 22.11
    dimethoxymethane 447.78
    ethylene carbonate 134.36
    cyrene 119.86
    2-ethoxyethyl acetate 177.59
    2-ethylhexyl acetate 113.62
    1,2,4-trichlorobenzene 140.71
    4-methylpyridine 264.93
    dibutyl ether 59.31
    2,6-dimethyl-4-heptanol 47.51
    DEF 170.11
    dimethyl isosorbide 260.13
    tetrachloroethylene 163.76
    eugenol 122.4
    triacetin 140.17
    span 80 117.44
    1,4-butanediol 24.87
    1,1-dichloroethane 169.49
    2-methyl-1-pentanol 62.11
    methyl formate 82.16
    2-methyl-1-butanol 108.66
    n-decane 3.94
    butyronitrile 116.2
    3,7-dimethyl-1-octanol 58.84
    1-chlorooctane 26.45
    1-chlorotetradecane 7.71
    n-nonane 3.4
    undecane 2.41
    tert-butylcyclohexane 8.35
    cyclooctane 6.98
    cyclopentanol 131.62
    tetrahydropyran 509.71
    tert-amyl methyl ether 112.35
    2,5,8-trioxanonane 230.76
    1-hexene 27.03
    2-isopropoxyethanol 102.87
    2,2,2-trifluoroethanol 30.66
    methyl butyrate 106.48

    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