2-Naphthalenol, 2,3,4,4a,5,6,7,8-octahydro-2,5,5-trimethyl-

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  • Identifiers

    CAS number
    643-53-8

    Molecular formula
    C13H22O

    SMILES
    CC1(CCCC2=CC(CCC21)(C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.09%
    Amber 55.97%
    Musk 53.66%
    Dry 47.42%
    Sweet 44.16%
    Cedar 42.55%
    Earthy 41.9%
    Camphoreous 39.37%
    Balsamic 39.05%
    Animal 36.19%

     

    Flavor
    Woody 38.74%
    Earthy 37.08%
    Sweet 36.63%
    Dry 32.53%
    Pine 32.31%
    Camphor 31.64%
    Fresh 30.84%
    Wood 25.95%
    Minty 25.64%
    Earth 25.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.37 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 114.69 ˚C est.

  • Synonyms

    • 2-Naphthalenol, 2,3,4,4a,5,6,7,8-octahydro-2,5,5-trimethyl-
    • EINECS 211-399-8
    • DTXSID30862350
    • RefChem:477080
    • DTXCID20811130
    • 643-53-8
    • 2,3,4,4a,5,6,7,8-Octahydro-2,5,5-trimethyl-2-naphthol
    • 2,5,5-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-ol
    • 2,5,5-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
    • SCHEMBL14879683
    • BJYVIXDQQRDHDI-UHFFFAOYSA-N
    • DB-324050
    • NS00013078
    • 643-53-8

  • Applications

    2-Naphthalenol, 2,3,4,4a,5,6,7,8-octahydro-2,5,5-trimethyl- (CAS 643-53-8) is used primarily as an intermediate and odorant in specialty fragrance chemistry: it serves as a building block for aroma compounds and perfumery fixatives, and may be incorporated in cosmetic and personal care formulations as a fragrance ingredient; it is also evaluated for use in household products such as air fresheners and cleaners as an odorant additive. In industrial manufacturing, it may be used as an intermediate in the synthesis of dyes, polymers, or other specialty chemicals, and in plastics and coatings as an odorant or modifying agent, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.93
    methanol 214.76
    isopropanol 185.47
    water 0.35
    ethyl acetate 298.83
    n-propanol 217.18
    acetone 377.31
    n-butanol 208.23
    acetonitrile 297.86
    DMF 397.48
    toluene 296.91
    isobutanol 145.52
    1,4-dioxane 834.72
    methyl acetate 276.65
    THF 1249.51
    2-butanone 321.44
    n-pentanol 92.78
    sec-butanol 127.91
    n-hexane 29.75
    ethylene glycol 22.35
    NMP 317.9
    cyclohexane 99.94
    DMSO 216.46
    n-butyl acetate 336.16
    n-octanol 133.11
    chloroform 625.83
    n-propyl acetate 147.8
    acetic acid 119.49
    dichloromethane 511.44
    cyclohexanone 493.25
    propylene glycol 48.76
    isopropyl acetate 192.17
    DMAc 260.45
    2-ethoxyethanol 123.0
    isopentanol 157.66
    n-heptane 56.77
    ethyl formate 177.58
    1,2-dichloroethane 263.25
    n-hexanol 295.8
    2-methoxyethanol 281.83
    isobutyl acetate 124.66
    tetrachloromethane 90.27
    n-pentyl acetate 169.98
    transcutol 767.45
    n-heptanol 127.16
    ethylbenzene 103.92
    MIBK 168.47
    2-propoxyethanol 398.88
    tert-butanol 214.05
    MTBE 252.2
    2-butoxyethanol 191.54
    propionic acid 118.46
    o-xylene 143.21
    formic acid 31.76
    diethyl ether 307.7
    m-xylene 185.05
    p-xylene 133.65
    chlorobenzene 254.26
    dimethyl carbonate 109.42
    n-octane 18.82
    formamide 62.76
    cyclopentanone 593.28
    2-pentanone 275.79
    anisole 206.37
    cyclopentyl methyl ether 401.9
    gamma-butyrolactone 553.82
    1-methoxy-2-propanol 256.36
    pyridine 440.21
    3-pentanone 197.65
    furfural 371.16
    n-dodecane 15.75
    diethylene glycol 182.35
    diisopropyl ether 100.71
    tert-amyl alcohol 131.94
    acetylacetone 286.49
    n-hexadecane 18.68
    acetophenone 161.06
    methyl propionate 236.95
    isopentyl acetate 284.08
    trichloroethylene 477.53
    n-nonanol 115.48
    cyclohexanol 202.6
    benzyl alcohol 122.81
    2-ethylhexanol 164.87
    isooctanol 94.13
    dipropyl ether 261.2
    1,2-dichlorobenzene 193.79
    ethyl lactate 72.86
    propylene carbonate 277.88
    n-methylformamide 171.98
    2-pentanol 113.03
    n-pentane 41.49
    1-propoxy-2-propanol 286.35
    1-methoxy-2-propyl acetate 321.64
    2-(2-methoxypropoxy) propanol 209.96
    mesitylene 109.87
    ε-caprolactone 363.41
    p-cymene 106.46
    epichlorohydrin 541.86
    1,1,1-trichloroethane 271.38
    2-aminoethanol 69.24
    morpholine-4-carbaldehyde 462.38
    sulfolane 381.9
    2,2,4-trimethylpentane 19.46
    2-methyltetrahydrofuran 622.68
    n-hexyl acetate 270.39
    isooctane 21.02
    2-(2-butoxyethoxy)ethanol 291.15
    sec-butyl acetate 112.7
    tert-butyl acetate 212.48
    decalin 32.95
    glycerin 63.41
    diglyme 493.67
    acrylic acid 88.15
    isopropyl myristate 112.2
    n-butyric acid 207.99
    acetyl acetate 182.51
    di(2-ethylhexyl) phthalate 109.98
    ethyl propionate 139.32
    nitromethane 272.37
    1,2-diethoxyethane 331.91
    benzonitrile 232.09
    trioctyl phosphate 84.45
    1-bromopropane 229.44
    gamma-valerolactone 685.64
    n-decanol 86.85
    triethyl phosphate 94.11
    4-methyl-2-pentanol 85.9
    propionitrile 283.57
    vinylene carbonate 270.25
    1,1,2-trichlorotrifluoroethane 211.21
    DMS 179.75
    cumene 71.73
    2-octanol 79.95
    2-hexanone 152.05
    octyl acetate 140.54
    limonene 152.23
    1,2-dimethoxyethane 306.17
    ethyl orthosilicate 93.59
    tributyl phosphate 98.88
    diacetone alcohol 189.46
    N,N-dimethylaniline 125.68
    acrylonitrile 265.21
    aniline 222.33
    1,3-propanediol 124.44
    bromobenzene 278.69
    dibromomethane 336.67
    1,1,2,2-tetrachloroethane 336.58
    2-methyl-cyclohexyl acetate 178.85
    tetrabutyl urea 124.15
    diisobutyl methanol 99.44
    2-phenylethanol 195.18
    styrene 122.6
    dioctyl adipate 140.34
    dimethyl sulfate 118.02
    ethyl butyrate 202.14
    methyl lactate 93.75
    butyl lactate 130.99
    diethyl carbonate 130.15
    propanediol butyl ether 170.99
    triethyl orthoformate 152.64
    p-tert-butyltoluene 114.99
    methyl 4-tert-butylbenzoate 179.45
    morpholine 767.14
    tert-butylamine 159.75
    n-dodecanol 67.4
    dimethoxymethane 397.55
    ethylene carbonate 227.82
    cyrene 157.99
    2-ethoxyethyl acetate 237.28
    2-ethylhexyl acetate 232.23
    1,2,4-trichlorobenzene 219.39
    4-methylpyridine 416.2
    dibutyl ether 178.21
    2,6-dimethyl-4-heptanol 99.44
    DEF 237.65
    dimethyl isosorbide 396.75
    tetrachloroethylene 199.9
    eugenol 158.71
    triacetin 212.63
    span 80 202.87
    1,4-butanediol 33.1
    1,1-dichloroethane 284.07
    2-methyl-1-pentanol 86.99
    methyl formate 144.21
    2-methyl-1-butanol 130.43
    n-decane 28.12
    butyronitrile 307.99
    3,7-dimethyl-1-octanol 126.55
    1-chlorooctane 96.28
    1-chlorotetradecane 41.69
    n-nonane 26.85
    undecane 20.49
    tert-butylcyclohexane 31.44
    cyclooctane 36.85
    cyclopentanol 212.06
    tetrahydropyran 776.06
    tert-amyl methyl ether 154.12
    2,5,8-trioxanonane 332.46
    1-hexene 92.99
    2-isopropoxyethanol 105.22
    2,2,2-trifluoroethanol 41.96
    methyl butyrate 164.45

    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