Petasol

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  • Identifiers

    CAS number
    64236-38-0

    Molecular formula
    C15H22O2

    SMILES
    C[C@H]1[C@@H](CCC2=CC(=O)[C@@H](C[C@]12C)C(=C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.46%
    Mint 50.78%
    Fruity 44.94%
    Spicy 41.65%
    Herbal 39.0%
    Camphoreous 35.91%
    Fresh 33.26%
    Sweet 30.87%
    Tobacco 29.27%
    Citrus 26.81%

     

    Flavor
    Minty 47.84%
    Bitter 46.86%
    Fresh 28.07%
    Herbal 26.21%
    Spearmint 26.14%
    Mint 22.76%
    Basil 22.4%
    Cedarleaf 21.3%
    Peppermint 21.12%
    Lovage 20.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.58 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point

    • 138.05 ˚C est.

  • Synonyms

    • Petasol
    • Sencathenone
    • 64236-38-0
    • (+)-Petasol
    • UNII-P6AF873M8W
    • P6AF873M8W
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S-(3alpha,4abeta,5beta,6alpha))-
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S,4aR,5R,6R)-
    • RefChem:44878
    • (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    • CHEMBL3581341
    • SCHEMBL30179289
    • DTXSID70982783
    • Q27286286
    • 6-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
    • (3S,4aR,5R,6R)-6-hydroxy-3-isopropenyl-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    • (3S,4aR,5R,6R)-6-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
    • 2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-6-HYDROXY-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-, (3S-(3.ALPHA.,4A.BETA.,5.BETA.,6.ALPHA.))-
    • 64236-38-0

  • Applications

    Petasol (CAS 64236-38-0) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where it can act as a fixative to modulate volatility in fragrance blends. It is commonly evaluated as an intermediate in organic synthesis for specialty chemicals and may be incorporated into household products (detergents, cleaners) to impart a distinctive scent. In coatings, inks and plastics, it can serve as a fragrance additive or processing aid to improve odor performance during formulation. Depending on local regulations, purity, and formulation limits, its use is tailored to product-specific fragrance profiles and safety requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.46
    methanol 288.75
    isopropanol 280.08
    water 0.81
    ethyl acetate 198.55
    n-propanol 250.34
    acetone 226.85
    n-butanol 222.64
    acetonitrile 179.98
    DMF 518.06
    toluene 266.07
    isobutanol 163.96
    1,4-dioxane 720.91
    methyl acetate 205.6
    THF 870.6
    2-butanone 258.28
    n-pentanol 84.05
    sec-butanol 145.88
    n-hexane 3.96
    ethylene glycol 32.35
    NMP 178.48
    cyclohexane 19.95
    DMSO 245.41
    n-butyl acetate 153.72
    n-octanol 52.37
    chloroform 684.38
    n-propyl acetate 106.36
    acetic acid 97.92
    dichloromethane 444.91
    cyclohexanone 325.15
    propylene glycol 52.86
    isopropyl acetate 142.17
    DMAc 267.19
    2-ethoxyethanol 159.74
    isopentanol 178.29
    n-heptane 3.86
    ethyl formate 128.35
    1,2-dichloroethane 264.87
    n-hexanol 152.28
    2-methoxyethanol 351.67
    isobutyl acetate 78.08
    tetrachloromethane 83.61
    n-pentyl acetate 96.75
    transcutol 623.9
    n-heptanol 72.24
    ethylbenzene 88.08
    MIBK 133.28
    2-propoxyethanol 290.09
    tert-butanol 316.12
    MTBE 177.43
    2-butoxyethanol 145.06
    propionic acid 106.55
    o-xylene 126.26
    formic acid 56.12
    diethyl ether 186.77
    m-xylene 156.69
    p-xylene 114.34
    chlorobenzene 203.06
    dimethyl carbonate 96.44
    n-octane 2.22
    formamide 114.15
    cyclopentanone 381.44
    2-pentanone 184.93
    anisole 175.04
    cyclopentyl methyl ether 199.33
    gamma-butyrolactone 351.37
    1-methoxy-2-propanol 314.4
    pyridine 414.01
    3-pentanone 134.92
    furfural 298.77
    n-dodecane 1.99
    diethylene glycol 206.14
    diisopropyl ether 46.95
    tert-amyl alcohol 152.55
    acetylacetone 207.16
    n-hexadecane 2.44
    acetophenone 138.33
    methyl propionate 156.5
    isopentyl acetate 152.66
    trichloroethylene 514.32
    n-nonanol 48.36
    cyclohexanol 165.31
    benzyl alcohol 144.44
    2-ethylhexanol 70.86
    isooctanol 58.97
    dipropyl ether 68.48
    1,2-dichlorobenzene 159.14
    ethyl lactate 63.93
    propylene carbonate 173.86
    n-methylformamide 211.33
    2-pentanol 119.44
    n-pentane 6.78
    1-propoxy-2-propanol 197.69
    1-methoxy-2-propyl acetate 191.84
    2-(2-methoxypropoxy) propanol 129.74
    mesitylene 82.41
    ε-caprolactone 238.66
    p-cymene 46.16
    epichlorohydrin 453.22
    1,1,1-trichloroethane 247.42
    2-aminoethanol 90.3
    morpholine-4-carbaldehyde 328.98
    sulfolane 249.81
    2,2,4-trimethylpentane 5.46
    2-methyltetrahydrofuran 322.75
    n-hexyl acetate 119.44
    isooctane 6.3
    2-(2-butoxyethoxy)ethanol 191.78
    sec-butyl acetate 84.1
    tert-butyl acetate 153.53
    decalin 9.53
    glycerin 89.35
    diglyme 352.35
    acrylic acid 90.21
    isopropyl myristate 42.82
    n-butyric acid 170.92
    acetyl acetate 118.34
    di(2-ethylhexyl) phthalate 54.97
    ethyl propionate 97.07
    nitromethane 219.71
    1,2-diethoxyethane 181.22
    benzonitrile 184.42
    trioctyl phosphate 37.5
    1-bromopropane 136.15
    gamma-valerolactone 453.33
    n-decanol 34.1
    triethyl phosphate 51.92
    4-methyl-2-pentanol 84.09
    propionitrile 203.04
    vinylene carbonate 195.01
    1,1,2-trichlorotrifluoroethane 214.29
    DMS 126.97
    cumene 53.75
    2-octanol 43.36
    2-hexanone 107.09
    octyl acetate 54.55
    limonene 52.83
    1,2-dimethoxyethane 330.75
    ethyl orthosilicate 51.31
    tributyl phosphate 44.84
    diacetone alcohol 181.34
    N,N-dimethylaniline 105.56
    acrylonitrile 230.41
    aniline 259.51
    1,3-propanediol 179.89
    bromobenzene 193.72
    dibromomethane 270.28
    1,1,2,2-tetrachloroethane 412.41
    2-methyl-cyclohexyl acetate 85.39
    tetrabutyl urea 56.56
    diisobutyl methanol 48.88
    2-phenylethanol 164.86
    styrene 99.26
    dioctyl adipate 61.64
    dimethyl sulfate 127.44
    ethyl butyrate 92.96
    methyl lactate 93.97
    butyl lactate 85.47
    diethyl carbonate 68.71
    propanediol butyl ether 134.1
    triethyl orthoformate 72.99
    p-tert-butyltoluene 47.75
    methyl 4-tert-butylbenzoate 117.94
    morpholine 702.16
    tert-butylamine 161.63
    n-dodecanol 23.86
    dimethoxymethane 342.1
    ethylene carbonate 167.42
    cyrene 125.57
    2-ethoxyethyl acetate 154.71
    2-ethylhexyl acetate 107.52
    1,2,4-trichlorobenzene 182.16
    4-methylpyridine 401.03
    dibutyl ether 51.31
    2,6-dimethyl-4-heptanol 48.88
    DEF 160.19
    dimethyl isosorbide 225.96
    tetrachloroethylene 239.28
    eugenol 120.26
    triacetin 116.27
    span 80 105.95
    1,4-butanediol 46.83
    1,1-dichloroethane 298.04
    2-methyl-1-pentanol 79.22
    methyl formate 163.45
    2-methyl-1-butanol 129.25
    n-decane 3.78
    butyronitrile 196.89
    3,7-dimethyl-1-octanol 61.56
    1-chlorooctane 25.3
    1-chlorotetradecane 8.83
    n-nonane 3.1
    undecane 2.64
    tert-butylcyclohexane 8.99
    cyclooctane 5.52
    cyclopentanol 162.91
    tetrahydropyran 545.4
    tert-amyl methyl ether 95.9
    2,5,8-trioxanonane 220.31
    1-hexene 25.77
    2-isopropoxyethanol 115.68
    2,2,2-trifluoroethanol 55.91
    methyl butyrate 120.95

    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