(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

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  • Identifiers

    CAS number
    24405-56-9

    Molecular formula
    C15H22O2

    SMILES
    CC1=CC(=O)C[C@]2([C@]1(C[C@@H](CC2)C(=C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.31%
    Sweet 61.25%
    Mint 56.82%
    Herbal 49.2%
    Camphoreous 47.62%
    Fruity 47.35%
    Spicy 41.55%
    Tobacco 41.18%
    Fresh 39.22%
    Citrus 38.92%

     

    Flavor
    Minty 52.77%
    Woody 36.72%
    Fresh 32.0%
    Spicy 31.64%
    Herbal 30.76%
    Spice 29.47%
    Mint 26.59%
    Phenolic 25.79%
    Camphor 24.72%
    Tobacco 24.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.33 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 136.79 ˚C est.

  • Synonyms

    • alpha-Rotunol
    • CHEBI:196136
    • DTXSID901112986
    • (4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
    • 24405-56-9
    • (4aS,6R,8aS)-4a,5,6,7,8,8a-Hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
    • (4aS,6R,8aS)-4a-Hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
    • 24405-56-9

  • Applications

    Chemical name: (4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one; CAS number: 24405-56-9; this compound is regarded as an aroma/odorant ingredient for the fragrance industry, including perfumery, and is also used in cosmetics and personal care to impart scent; it is additionally evaluated as an intermediate in organic synthesis and can serve as a chiral building block for pharmaceutical and agrochemical compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.18
    methanol 161.62
    isopropanol 136.09
    water 0.54
    ethyl acetate 91.32
    n-propanol 111.73
    acetone 108.5
    n-butanol 104.56
    acetonitrile 87.15
    DMF 293.04
    toluene 144.21
    isobutanol 75.35
    1,4-dioxane 369.59
    methyl acetate 92.92
    THF 495.77
    2-butanone 111.01
    n-pentanol 60.21
    sec-butanol 70.17
    n-hexane 1.58
    ethylene glycol 15.58
    NMP 104.1
    cyclohexane 5.88
    DMSO 109.29
    n-butyl acetate 99.11
    n-octanol 47.16
    chloroform 285.43
    n-propyl acetate 62.88
    acetic acid 56.53
    dichloromethane 187.18
    cyclohexanone 157.35
    propylene glycol 29.77
    isopropyl acetate 72.67
    DMAc 171.99
    2-ethoxyethanol 101.45
    isopentanol 87.47
    n-heptane 2.85
    ethyl formate 72.39
    1,2-dichloroethane 85.52
    n-hexanol 102.72
    2-methoxyethanol 204.64
    isobutyl acetate 52.84
    tetrachloromethane 32.68
    n-pentyl acetate 68.14
    transcutol 304.06
    n-heptanol 57.7
    ethylbenzene 61.04
    MIBK 79.5
    2-propoxyethanol 201.06
    tert-butanol 157.53
    MTBE 74.33
    2-butoxyethanol 107.34
    propionic acid 45.31
    o-xylene 72.27
    formic acid 33.1
    diethyl ether 63.63
    m-xylene 92.46
    p-xylene 82.23
    chlorobenzene 102.33
    dimethyl carbonate 49.89
    n-octane 2.0
    formamide 67.92
    cyclopentanone 187.62
    2-pentanone 93.27
    anisole 131.27
    cyclopentyl methyl ether 100.19
    gamma-butyrolactone 165.53
    1-methoxy-2-propanol 185.23
    pyridine 257.77
    3-pentanone 57.99
    furfural 191.16
    n-dodecane 2.11
    diethylene glycol 126.49
    diisopropyl ether 22.13
    tert-amyl alcohol 74.03
    acetylacetone 123.63
    n-hexadecane 2.56
    acetophenone 102.08
    methyl propionate 74.54
    isopentyl acetate 101.68
    trichloroethylene 204.65
    n-nonanol 46.3
    cyclohexanol 73.18
    benzyl alcohol 106.26
    2-ethylhexanol 52.94
    isooctanol 46.02
    dipropyl ether 44.74
    1,2-dichlorobenzene 83.49
    ethyl lactate 41.84
    propylene carbonate 93.99
    n-methylformamide 107.69
    2-pentanol 57.79
    n-pentane 2.25
    1-propoxy-2-propanol 144.65
    1-methoxy-2-propyl acetate 125.9
    2-(2-methoxypropoxy) propanol 99.84
    mesitylene 49.9
    ε-caprolactone 122.29
    p-cymene 38.71
    epichlorohydrin 215.69
    1,1,1-trichloroethane 93.84
    2-aminoethanol 46.52
    morpholine-4-carbaldehyde 233.5
    sulfolane 122.95
    2,2,4-trimethylpentane 2.55
    2-methyltetrahydrofuran 160.38
    n-hexyl acetate 86.27
    isooctane 3.57
    2-(2-butoxyethoxy)ethanol 137.74
    sec-butyl acetate 52.31
    tert-butyl acetate 87.09
    decalin 5.35
    glycerin 46.73
    diglyme 235.12
    acrylic acid 39.11
    isopropyl myristate 38.28
    n-butyric acid 89.61
    acetyl acetate 67.66
    di(2-ethylhexyl) phthalate 44.81
    ethyl propionate 54.71
    nitromethane 114.14
    1,2-diethoxyethane 117.95
    benzonitrile 137.93
    trioctyl phosphate 29.28
    1-bromopropane 48.82
    gamma-valerolactone 281.62
    n-decanol 33.9
    triethyl phosphate 37.07
    4-methyl-2-pentanol 49.07
    propionitrile 94.59
    vinylene carbonate 113.01
    1,1,2-trichlorotrifluoroethane 112.38
    DMS 73.19
    cumene 41.1
    2-octanol 37.38
    2-hexanone 69.63
    octyl acetate 46.33
    limonene 38.69
    1,2-dimethoxyethane 224.7
    ethyl orthosilicate 38.05
    tributyl phosphate 33.32
    diacetone alcohol 116.38
    N,N-dimethylaniline 89.55
    acrylonitrile 120.14
    aniline 124.23
    1,3-propanediol 99.46
    bromobenzene 102.96
    dibromomethane 100.05
    1,1,2,2-tetrachloroethane 160.26
    2-methyl-cyclohexyl acetate 66.24
    tetrabutyl urea 48.41
    diisobutyl methanol 40.51
    2-phenylethanol 130.86
    styrene 67.62
    dioctyl adipate 49.55
    dimethyl sulfate 58.29
    ethyl butyrate 65.82
    methyl lactate 52.58
    butyl lactate 63.32
    diethyl carbonate 47.82
    propanediol butyl ether 90.17
    triethyl orthoformate 53.69
    p-tert-butyltoluene 40.03
    methyl 4-tert-butylbenzoate 87.26
    morpholine 359.76
    tert-butylamine 76.85
    n-dodecanol 24.58
    dimethoxymethane 217.52
    ethylene carbonate 89.27
    cyrene 95.34
    2-ethoxyethyl acetate 98.89
    2-ethylhexyl acetate 73.23
    1,2,4-trichlorobenzene 93.31
    4-methylpyridine 246.73
    dibutyl ether 42.21
    2,6-dimethyl-4-heptanol 40.51
    DEF 84.61
    dimethyl isosorbide 177.12
    tetrachloroethylene 87.86
    eugenol 98.21
    triacetin 77.85
    span 80 81.33
    1,4-butanediol 30.63
    1,1-dichloroethane 99.7
    2-methyl-1-pentanol 53.51
    methyl formate 83.04
    2-methyl-1-butanol 62.33
    n-decane 3.9
    butyronitrile 115.11
    3,7-dimethyl-1-octanol 52.03
    1-chlorooctane 21.83
    1-chlorotetradecane 8.69
    n-nonane 3.04
    undecane 2.8
    tert-butylcyclohexane 5.88
    cyclooctane 2.2
    cyclopentanol 76.47
    tetrahydropyran 210.68
    tert-amyl methyl ether 44.32
    2,5,8-trioxanonane 165.31
    1-hexene 12.61
    2-isopropoxyethanol 74.31
    2,2,2-trifluoroethanol 25.99
    methyl butyrate 73.07

    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