Petasitolone

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  • Identifiers

    CAS number
    35124-22-2

    Molecular formula
    C15H24O2

    SMILES
    C[C@H]1CCC[C@H]2[C@@]1(C=C(C(=O)C2)C(C)(C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.31%
    Herbal 46.12%
    Sweet 42.94%
    Mint 40.48%
    Camphoreous 38.68%
    Balsamic 35.89%
    Spicy 34.21%
    Cedar 34.0%
    Amber 33.49%
    Fresh 33.41%

     

    Flavor
    Minty 39.96%
    Bitter 35.81%
    Herbal 32.95%
    Woody 31.48%
    Camphor 28.55%
    Pine 27.62%
    Mint 25.68%
    Balsam 25.39%
    Fresh 23.35%
    Sweet 22.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.71 (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

    • 131.67 ˚C est.

  • Synonyms

    • Petasitolone
    • UNII-05X5L9F9XM
    • 05X5L9F9XM
    • 35124-22-2
    • 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4aR,5S,8aR)-
    • 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4ar-(4aalpha,5alpha,8aalpha))-
    • DTXSID30188628
    • CHEBI:173720
    • (4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
    • Q27236148
    • (4aR,5S,8aR)-3-(2-Hydroxypropan-2-yl)-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
    • 2(1H)-NAPHTHALENONE, 4A,5,6,7,8,8A-HEXAHYDRO-3-(1-HYDROXY-1-METHYLETHYL)-4A,5-DIMETHYL-, (4AR-(4A.ALPHA.,5.ALPHA.,8A.ALPHA.))-
    • 35124-22-2

  • Applications

    Petasitolone (CAS 35124-22-2) is primarily used as an odorant/fragrance component in perfumery and cosmetics, and may serve as an intermediate in organic synthesis for specialty chemicals. It is also evaluated for use as a scent component in household products such as cleaners, and can be added to coatings/inks as a fragrance or odor-masking additive. In polymer/plastics formulations it may function as a processing aid or minor modifier, with applications driven by formulation needs and regulatory allowances.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.41
    methanol 138.0
    isopropanol 129.96
    water 0.57
    ethyl acetate 151.57
    n-propanol 117.4
    acetone 208.42
    n-butanol 104.18
    acetonitrile 153.57
    DMF 491.58
    toluene 235.58
    isobutanol 100.64
    1,4-dioxane 501.8
    methyl acetate 184.85
    THF 725.06
    2-butanone 213.47
    n-pentanol 59.54
    sec-butanol 87.72
    n-hexane 7.63
    ethylene glycol 26.63
    NMP 318.71
    cyclohexane 33.84
    DMSO 210.27
    n-butyl acetate 133.77
    n-octanol 65.92
    chloroform 571.9
    n-propyl acetate 90.35
    acetic acid 76.56
    dichloromethane 389.4
    cyclohexanone 344.32
    propylene glycol 51.45
    isopropyl acetate 110.21
    DMAc 289.61
    2-ethoxyethanol 81.23
    isopentanol 93.84
    n-heptane 9.58
    ethyl formate 103.39
    1,2-dichloroethane 216.22
    n-hexanol 129.1
    2-methoxyethanol 189.69
    isobutyl acetate 77.27
    tetrachloromethane 73.0
    n-pentyl acetate 98.86
    transcutol 289.97
    n-heptanol 70.13
    ethylbenzene 94.35
    MIBK 106.73
    2-propoxyethanol 208.73
    tert-butanol 156.24
    MTBE 108.92
    2-butoxyethanol 111.41
    propionic acid 89.07
    o-xylene 129.81
    formic acid 27.88
    diethyl ether 102.24
    m-xylene 157.72
    p-xylene 131.52
    chlorobenzene 209.05
    dimethyl carbonate 91.04
    n-octane 5.42
    formamide 57.33
    cyclopentanone 469.21
    2-pentanone 140.62
    anisole 157.01
    cyclopentyl methyl ether 212.9
    gamma-butyrolactone 414.0
    1-methoxy-2-propanol 201.43
    pyridine 332.98
    3-pentanone 127.52
    furfural 299.9
    n-dodecane 5.66
    diethylene glycol 142.08
    diisopropyl ether 40.88
    tert-amyl alcohol 95.48
    acetylacetone 190.44
    n-hexadecane 6.85
    acetophenone 142.05
    methyl propionate 146.81
    isopentyl acetate 138.57
    trichloroethylene 455.98
    n-nonanol 61.63
    cyclohexanol 138.89
    benzyl alcohol 124.76
    2-ethylhexanol 76.7
    isooctanol 57.54
    dipropyl ether 67.73
    1,2-dichlorobenzene 174.95
    ethyl lactate 63.35
    propylene carbonate 219.59
    n-methylformamide 145.83
    2-pentanol 68.85
    n-pentane 10.39
    1-propoxy-2-propanol 160.78
    1-methoxy-2-propyl acetate 175.11
    2-(2-methoxypropoxy) propanol 121.55
    mesitylene 90.07
    ε-caprolactone 257.74
    p-cymene 62.23
    epichlorohydrin 372.41
    1,1,1-trichloroethane 244.98
    2-aminoethanol 62.55
    morpholine-4-carbaldehyde 363.66
    sulfolane 345.09
    2,2,4-trimethylpentane 8.12
    2-methyltetrahydrofuran 332.62
    n-hexyl acetate 138.19
    isooctane 7.71
    2-(2-butoxyethoxy)ethanol 145.51
    sec-butyl acetate 74.9
    tert-butyl acetate 125.42
    decalin 18.42
    glycerin 72.15
    diglyme 248.35
    acrylic acid 82.54
    isopropyl myristate 60.54
    n-butyric acid 128.36
    acetyl acetate 115.21
    di(2-ethylhexyl) phthalate 72.65
    ethyl propionate 90.09
    nitromethane 193.59
    1,2-diethoxyethane 123.22
    benzonitrile 188.08
    trioctyl phosphate 52.52
    1-bromopropane 131.5
    gamma-valerolactone 483.97
    n-decanol 47.61
    triethyl phosphate 59.34
    4-methyl-2-pentanol 55.64
    propionitrile 158.65
    vinylene carbonate 215.93
    1,1,2-trichlorotrifluoroethane 205.09
    DMS 140.94
    cumene 63.29
    2-octanol 51.7
    2-hexanone 96.21
    octyl acetate 76.55
    limonene 78.58
    1,2-dimethoxyethane 188.67
    ethyl orthosilicate 56.69
    tributyl phosphate 58.2
    diacetone alcohol 144.73
    N,N-dimethylaniline 108.01
    acrylonitrile 192.8
    aniline 197.24
    1,3-propanediol 92.97
    bromobenzene 221.06
    dibromomethane 248.33
    1,1,2,2-tetrachloroethane 357.85
    2-methyl-cyclohexyl acetate 103.14
    tetrabutyl urea 76.58
    diisobutyl methanol 49.49
    2-phenylethanol 158.46
    styrene 109.3
    dioctyl adipate 81.18
    dimethyl sulfate 137.0
    ethyl butyrate 92.49
    methyl lactate 94.78
    butyl lactate 89.18
    diethyl carbonate 70.9
    propanediol butyl ether 114.71
    triethyl orthoformate 73.93
    p-tert-butyltoluene 64.14
    methyl 4-tert-butylbenzoate 135.63
    morpholine 445.47
    tert-butylamine 94.84
    n-dodecanol 36.51
    dimethoxymethane 247.21
    ethylene carbonate 179.35
    cyrene 141.79
    2-ethoxyethyl acetate 135.24
    2-ethylhexyl acetate 110.79
    1,2,4-trichlorobenzene 206.43
    4-methylpyridine 332.73
    dibutyl ether 59.37
    2,6-dimethyl-4-heptanol 49.49
    DEF 151.63
    dimethyl isosorbide 237.81
    tetrachloroethylene 203.01
    eugenol 129.14
    triacetin 133.73
    span 80 117.97
    1,4-butanediol 32.33
    1,1-dichloroethane 238.36
    2-methyl-1-pentanol 63.07
    methyl formate 131.96
    2-methyl-1-butanol 82.9
    n-decane 9.51
    butyronitrile 145.99
    3,7-dimethyl-1-octanol 68.02
    1-chlorooctane 44.59
    1-chlorotetradecane 19.72
    n-nonane 7.87
    undecane 7.21
    tert-butylcyclohexane 15.04
    cyclooctane 11.15
    cyclopentanol 164.73
    tetrahydropyran 385.95
    tert-amyl methyl ether 76.6
    2,5,8-trioxanonane 180.88
    1-hexene 36.42
    2-isopropoxyethanol 72.56
    2,2,2-trifluoroethanol 44.62
    methyl butyrate 111.23

    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