Tuberonone

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  • Identifiers

    CAS number
    147545-38-8

    Molecular formula
    C15H24O2

    SMILES
    CC(C)[C@@H]1C[C@H](C(=C)[C@H]2[C@H]1[C@H](CC2)C(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.75%
    Mint 63.29%
    Herbal 59.08%
    Camphoreous 49.3%
    Cooling 48.68%
    Spicy 39.33%
    Fresh 34.36%
    Pine 30.85%
    Earthy 29.64%
    Green 27.12%

     

    Flavor
    Minty 48.15%
    Herbal 42.06%
    Bitter 36.22%
    Herb 29.09%
    Mint 28.93%
    Spice 26.73%
    Fresh 25.16%
    Fruity 23.4%
    Woody 23.33%
    Spearmint 22.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.95 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 144.87 ˚C est.

  • Synonyms

    • Tuberonone
    • SCHEMBL31053162
    • CHEBI:173723
    • DTXSID201111551
    • 1-[(1S,3aR,5R,7S,7aS)-5-Hydroxy-4-methylidene-7-(propan-2-yl)octahydro-1H-inden-1-yl]ethan-1-one
    • 1-[(1S,3aR,5R,7S,7aS)-5-hydroxy-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
    • 147545-38-8
    • Ethanone, 1-[octahydro-5-hydroxy-4-methylene-7-(1-methylethyl)-1H-inden-1-yl]-, [1S-(1I+/-,3aI(2),5I(2),7I+/-,7aI+/-)]-
    • 147545-38-8

  • Applications

    Tuberonone (CAS 147545-38-8) is regarded as an odorant and fragrance ingredient and is commonly evaluated for applications in perfumery and cosmetics/personal care; it can also serve as a chemical intermediate in industrial organic synthesis; additionally, it may be used as a fragrance component in household products and in coatings and inks; in plastics and polymer materials, it may function as a fragrance-related additive; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 372.19
    methanol 564.64
    isopropanol 579.23
    water 1.78
    ethyl acetate 183.6
    n-propanol 380.03
    acetone 338.41
    n-butanol 341.3
    acetonitrile 222.73
    DMF 385.68
    toluene 200.69
    isobutanol 295.69
    1,4-dioxane 603.92
    methyl acetate 206.03
    THF 1018.87
    2-butanone 275.12
    n-pentanol 135.22
    sec-butanol 249.06
    n-hexane 3.26
    ethylene glycol 75.53
    NMP 199.02
    cyclohexane 14.87
    DMSO 311.37
    n-butyl acetate 154.4
    n-octanol 74.01
    chloroform 700.54
    n-propyl acetate 107.03
    acetic acid 189.12
    dichloromethane 479.83
    cyclohexanone 376.15
    propylene glycol 124.6
    isopropyl acetate 156.79
    DMAc 218.1
    2-ethoxyethanol 191.82
    isopentanol 276.97
    n-heptane 3.95
    ethyl formate 167.84
    1,2-dichloroethane 246.22
    n-hexanol 186.97
    2-methoxyethanol 442.44
    isobutyl acetate 92.56
    tetrachloromethane 85.64
    n-pentyl acetate 113.22
    transcutol 470.39
    n-heptanol 91.59
    ethylbenzene 71.28
    MIBK 142.46
    2-propoxyethanol 314.8
    tert-butanol 457.32
    MTBE 162.81
    2-butoxyethanol 166.46
    propionic acid 157.89
    o-xylene 93.0
    formic acid 74.37
    diethyl ether 161.93
    m-xylene 127.74
    p-xylene 90.62
    chlorobenzene 195.1
    dimethyl carbonate 73.71
    n-octane 2.99
    formamide 108.78
    cyclopentanone 510.04
    2-pentanone 211.08
    anisole 132.1
    cyclopentyl methyl ether 205.66
    gamma-butyrolactone 451.74
    1-methoxy-2-propanol 401.95
    pyridine 416.36
    3-pentanone 116.9
    furfural 367.03
    n-dodecane 3.12
    diethylene glycol 267.29
    diisopropyl ether 44.16
    tert-amyl alcohol 184.98
    acetylacetone 239.55
    n-hexadecane 3.7
    acetophenone 129.72
    methyl propionate 135.8
    isopentyl acetate 163.82
    trichloroethylene 479.29
    n-nonanol 65.71
    cyclohexanol 232.11
    benzyl alcohol 162.56
    2-ethylhexanol 80.1
    isooctanol 75.25
    dipropyl ether 58.74
    1,2-dichlorobenzene 153.05
    ethyl lactate 74.65
    propylene carbonate 233.51
    n-methylformamide 217.71
    2-pentanol 184.36
    n-pentane 5.91
    1-propoxy-2-propanol 202.56
    1-methoxy-2-propyl acetate 175.97
    2-(2-methoxypropoxy) propanol 130.95
    mesitylene 68.36
    ε-caprolactone 276.39
    p-cymene 50.03
    epichlorohydrin 477.28
    1,1,1-trichloroethane 239.4
    2-aminoethanol 168.15
    morpholine-4-carbaldehyde 299.68
    sulfolane 331.55
    2,2,4-trimethylpentane 5.34
    2-methyltetrahydrofuran 384.3
    n-hexyl acetate 136.17
    isooctane 6.24
    2-(2-butoxyethoxy)ethanol 195.61
    sec-butyl acetate 82.47
    tert-butyl acetate 140.22
    decalin 8.66
    glycerin 159.58
    diglyme 320.59
    acrylic acid 129.79
    isopropyl myristate 50.38
    n-butyric acid 276.83
    acetyl acetate 136.04
    di(2-ethylhexyl) phthalate 70.03
    ethyl propionate 83.72
    nitromethane 270.88
    1,2-diethoxyethane 145.97
    benzonitrile 213.88
    trioctyl phosphate 50.26
    1-bromopropane 130.2
    gamma-valerolactone 490.33
    n-decanol 47.36
    triethyl phosphate 48.48
    4-methyl-2-pentanol 114.33
    propionitrile 220.68
    vinylene carbonate 228.83
    1,1,2-trichlorotrifluoroethane 264.46
    DMS 106.99
    cumene 50.29
    2-octanol 62.25
    2-hexanone 111.98
    octyl acetate 64.55
    limonene 54.21
    1,2-dimethoxyethane 284.18
    ethyl orthosilicate 47.75
    tributyl phosphate 53.47
    diacetone alcohol 180.85
    N,N-dimethylaniline 85.96
    acrylonitrile 242.61
    aniline 223.51
    1,3-propanediol 291.12
    bromobenzene 190.08
    dibromomethane 288.4
    1,1,2,2-tetrachloroethane 366.72
    2-methyl-cyclohexyl acetate 86.2
    tetrabutyl urea 65.83
    diisobutyl methanol 57.64
    2-phenylethanol 180.75
    styrene 77.7
    dioctyl adipate 69.82
    dimethyl sulfate 99.07
    ethyl butyrate 88.02
    methyl lactate 106.56
    butyl lactate 104.72
    diethyl carbonate 62.36
    propanediol butyl ether 169.89
    triethyl orthoformate 67.42
    p-tert-butyltoluene 47.92
    methyl 4-tert-butylbenzoate 119.7
    morpholine 590.27
    tert-butylamine 202.79
    n-dodecanol 34.5
    dimethoxymethane 283.79
    ethylene carbonate 198.82
    cyrene 130.34
    2-ethoxyethyl acetate 158.17
    2-ethylhexyl acetate 109.31
    1,2,4-trichlorobenzene 179.17
    4-methylpyridine 358.81
    dibutyl ether 54.92
    2,6-dimethyl-4-heptanol 57.64
    DEF 143.17
    dimethyl isosorbide 208.2
    tetrachloroethylene 232.48
    eugenol 131.02
    triacetin 123.6
    span 80 118.83
    1,4-butanediol 95.99
    1,1-dichloroethane 310.99
    2-methyl-1-pentanol 110.05
    methyl formate 179.23
    2-methyl-1-butanol 204.07
    n-decane 5.46
    butyronitrile 244.82
    3,7-dimethyl-1-octanol 80.4
    1-chlorooctane 34.94
    1-chlorotetradecane 12.18
    n-nonane 4.53
    undecane 4.0
    tert-butylcyclohexane 8.14
    cyclooctane 4.66
    cyclopentanol 284.52
    tetrahydropyran 485.14
    tert-amyl methyl ether 80.78
    2,5,8-trioxanonane 195.15
    1-hexene 23.13
    2-isopropoxyethanol 142.22
    2,2,2-trifluoroethanol 90.8
    methyl butyrate 116.78

    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