2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol

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  • Identifiers

    CAS number
    53643-07-5

    Molecular formula
    C15H24O

    SMILES
    CC1CC(C=C2C1(CC(CC2)C(=C)C)C)O

  • Odor profile

    Fragrance
    Woody 62.35%
    Sweet 45.77%
    Citrus 41.98%
    Spicy 41.84%
    Dry 34.16%
    Fresh 33.8%
    Balsamic 33.14%
    Herbal 31.82%
    Amber 31.56%
    Clean 29.39%

     

    Flavor
    Woody 56.44%
    Herbal 51.86%
    Herb 40.87%
    Minty 40.17%
    Spice 38.93%
    Fresh 38.22%
    Wood 34.77%
    Camphor 32.78%
    Mint 31.17%
    Balsam 28.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.36 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 119.35 ˚C est.

  • Synonyms

    • 53643-07-5
    • 2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol
    • 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
    • .beta.-Nootkatol
    • EINECS 258-681-7
    • 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
    • SCHEMBL8416225
    • DTXSID60968415
    • CHEBI:142044
    • DB-302148
    • NS00058749
    • 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol

  • Applications

    For 2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol (CAS 53643-07-5), a saturated naphthol derivative, common practical uses include serving as an organic synthesis intermediate and as a potential fragrance-building block; in perfumery and flavor chemistry it can provide a scaffold for aroma compounds or function as a base for developing fixatives that modulate volatility, while in cosmetics/personal care it may be used as an intermediate for fragrance components or colorants; in coatings and inks it can act as a phenolic intermediate compatible with resin systems for polymer formulations and crosslinking; in polymers/plastics it may be used as a reactive precursor for specialty resins and compatibilizers; and in industrial adhesives it can contribute to crosslinking chemistry or polymer interactions. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 912.97
    methanol 555.19
    isopropanol 1252.23
    water 0.51
    ethyl acetate 659.24
    n-propanol 931.07
    acetone 760.68
    n-butanol 804.98
    acetonitrile 488.52
    DMF 731.12
    toluene 542.86
    isobutanol 598.94
    1,4-dioxane 1934.94
    methyl acetate 532.35
    THF 2783.66
    2-butanone 701.67
    n-pentanol 262.77
    sec-butanol 498.71
    n-hexane 23.24
    ethylene glycol 49.48
    NMP 175.92
    cyclohexane 97.27
    DMSO 343.52
    n-butyl acetate 504.25
    n-octanol 188.06
    chloroform 965.16
    n-propyl acetate 249.92
    acetic acid 172.81
    dichloromethane 669.46
    cyclohexanone 623.51
    propylene glycol 116.26
    isopropyl acetate 449.02
    DMAc 357.22
    2-ethoxyethanol 363.09
    isopentanol 576.27
    n-heptane 45.53
    ethyl formate 301.64
    1,2-dichloroethane 453.97
    n-hexanol 644.18
    2-methoxyethanol 894.98
    isobutyl acetate 196.62
    tetrachloromethane 155.61
    n-pentyl acetate 260.22
    transcutol 1355.43
    n-heptanol 230.63
    ethylbenzene 171.63
    MIBK 362.05
    2-propoxyethanol 827.39
    tert-butanol 1244.05
    MTBE 949.47
    2-butoxyethanol 376.63
    propionic acid 205.06
    o-xylene 218.86
    formic acid 46.27
    diethyl ether 924.37
    m-xylene 334.93
    p-xylene 197.9
    chlorobenzene 315.86
    dimethyl carbonate 161.76
    n-octane 20.65
    formamide 107.69
    cyclopentanone 733.77
    2-pentanone 596.49
    anisole 323.6
    cyclopentyl methyl ether 616.74
    gamma-butyrolactone 585.01
    1-methoxy-2-propanol 819.01
    pyridine 783.28
    3-pentanone 327.76
    furfural 411.55
    n-dodecane 14.67
    diethylene glycol 383.31
    diisopropyl ether 224.27
    tert-amyl alcohol 450.64
    acetylacetone 487.87
    n-hexadecane 17.59
    acetophenone 209.91
    methyl propionate 393.52
    isopentyl acetate 478.3
    trichloroethylene 693.98
    n-nonanol 164.2
    cyclohexanol 390.99
    benzyl alcohol 220.92
    2-ethylhexanol 256.3
    isooctanol 171.55
    dipropyl ether 426.18
    1,2-dichlorobenzene 214.35
    ethyl lactate 104.8
    propylene carbonate 280.83
    n-methylformamide 321.76
    2-pentanol 451.72
    n-pentane 48.16
    1-propoxy-2-propanol 667.98
    1-methoxy-2-propyl acetate 519.1
    2-(2-methoxypropoxy) propanol 286.39
    mesitylene 194.53
    ε-caprolactone 434.42
    p-cymene 132.48
    epichlorohydrin 825.51
    1,1,1-trichloroethane 469.91
    2-aminoethanol 196.7
    morpholine-4-carbaldehyde 489.67
    sulfolane 319.92
    2,2,4-trimethylpentane 24.79
    2-methyltetrahydrofuran 1090.07
    n-hexyl acetate 322.84
    isooctane 35.17
    2-(2-butoxyethoxy)ethanol 478.75
    sec-butyl acetate 200.2
    tert-butyl acetate 465.23
    decalin 31.72
    glycerin 140.64
    diglyme 797.88
    acrylic acid 118.66
    isopropyl myristate 135.32
    n-butyric acid 466.44
    acetyl acetate 269.67
    di(2-ethylhexyl) phthalate 109.42
    ethyl propionate 223.17
    nitromethane 340.08
    1,2-diethoxyethane 654.25
    benzonitrile 295.45
    trioctyl phosphate 86.08
    1-bromopropane 396.55
    gamma-valerolactone 875.66
    n-decanol 121.18
    triethyl phosphate 100.39
    4-methyl-2-pentanol 277.69
    propionitrile 607.9
    vinylene carbonate 288.39
    1,1,2-trichlorotrifluoroethane 269.14
    DMS 206.05
    cumene 111.06
    2-octanol 152.88
    2-hexanone 249.84
    octyl acetate 158.14
    limonene 170.84
    1,2-dimethoxyethane 756.58
    ethyl orthosilicate 109.6
    tributyl phosphate 98.53
    diacetone alcohol 430.43
    N,N-dimethylaniline 180.24
    acrylonitrile 475.4
    aniline 446.58
    1,3-propanediol 462.11
    bromobenzene 326.77
    dibromomethane 467.95
    1,1,2,2-tetrachloroethane 512.04
    2-methyl-cyclohexyl acetate 194.24
    tetrabutyl urea 118.94
    diisobutyl methanol 181.22
    2-phenylethanol 328.34
    styrene 187.43
    dioctyl adipate 145.65
    dimethyl sulfate 136.48
    ethyl butyrate 277.32
    methyl lactate 152.98
    butyl lactate 187.45
    diethyl carbonate 160.74
    propanediol butyl ether 287.94
    triethyl orthoformate 195.89
    p-tert-butyltoluene 149.49
    methyl 4-tert-butylbenzoate 226.83
    morpholine 1886.16
    tert-butylamine 739.12
    n-dodecanol 92.36
    dimethoxymethane 871.23
    ethylene carbonate 273.72
    cyrene 168.47
    2-ethoxyethyl acetate 362.14
    2-ethylhexyl acetate 314.21
    1,2,4-trichlorobenzene 228.33
    4-methylpyridine 690.05
    dibutyl ether 269.43
    2,6-dimethyl-4-heptanol 181.22
    DEF 344.47
    dimethyl isosorbide 426.99
    tetrachloroethylene 288.27
    eugenol 212.12
    triacetin 224.49
    span 80 239.49
    1,4-butanediol 91.37
    1,1-dichloroethane 626.69
    2-methyl-1-pentanol 205.16
    methyl formate 226.36
    2-methyl-1-butanol 388.29
    n-decane 27.9
    butyronitrile 684.68
    3,7-dimethyl-1-octanol 206.21
    1-chlorooctane 112.84
    1-chlorotetradecane 42.47
    n-nonane 25.68
    undecane 19.63
    tert-butylcyclohexane 33.46
    cyclooctane 31.5
    cyclopentanol 423.91
    tetrahydropyran 1792.18
    tert-amyl methyl ether 336.08
    2,5,8-trioxanonane 460.76
    1-hexene 126.04
    2-isopropoxyethanol 277.84
    2,2,2-trifluoroethanol 55.65
    methyl butyrate 256.51

    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