2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-

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  • Identifiers

    CAS number
    61826-53-7

    Molecular formula
    C16H26O

    SMILES
    CC1(CCC(=C2[C@@]13CC[C@@H](C3)C2(C)C)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 93.14%
    Amber 69.43%
    Dry 59.22%
    Musk 56.25%
    Cedar 52.88%
    Sandalwood 51.46%
    Vetiver 45.32%
    Powdery 40.37%
    Balsamic 37.05%
    Animal 31.75%

     

    Flavor
    Woody 73.75%
    Sweet 60.55%
    Camphor 50.09%
    Pine 48.45%
    Balsam 44.52%
    Dry 42.45%
    Earthy 37.78%
    Herbal 34.97%
    Fresh 33.01%
    Spicy 31.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.98 (weak base)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 156.1 ˚C est.

  • Synonyms

    • EINECS 263-251-7
    • DTXSID50885925
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
    • RefChem:484202
    • DTXCID201025281
    • 61826-53-7
    • (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-methanol
    • [(1R,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl]methanol
    • SCHEMBL20608617
    • SQQNKCAPKQIRBP-LRDDRELGSA-N
    • [(2S,4aR)-1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-8-yl]methanol
    • 61826-53-7

  • Applications

    2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)- (CAS 61826-53-7) is a chiral bicyclic alcohol primarily used as an intermediate and building block in organic synthesis. In perfumery and flavor applications, it may serve as a precursor or intermediate for fragrance ingredients and may function as a fragrance component. In cosmetics/personal care, it can be evaluated as a fragrance ingredient or scent modifier. In pharmaceutical development, it may be used as a chiral building block for synthesis of active pharmaceutical ingredients. In industrial manufacturing, it is used as a specialty chemical intermediate enabling synthesis of more complex compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.03
    methanol 107.9
    isopropanol 123.87
    water 1.34
    ethyl acetate 160.6
    n-propanol 109.84
    acetone 285.72
    n-butanol 115.46
    acetonitrile 183.93
    DMF 415.42
    toluene 199.73
    isobutanol 90.5
    1,4-dioxane 373.97
    methyl acetate 155.96
    THF 897.25
    2-butanone 199.4
    n-pentanol 51.54
    sec-butanol 69.8
    n-hexane 5.04
    ethylene glycol 40.95
    NMP 252.64
    cyclohexane 14.79
    DMSO 191.25
    n-butyl acetate 127.85
    n-octanol 56.71
    chloroform 423.35
    n-propyl acetate 87.66
    acetic acid 66.38
    dichloromethane 341.92
    cyclohexanone 347.67
    propylene glycol 46.63
    isopropyl acetate 138.07
    DMAc 198.96
    2-ethoxyethanol 92.39
    isopentanol 89.52
    n-heptane 10.1
    ethyl formate 133.2
    1,2-dichloroethane 219.12
    n-hexanol 108.63
    2-methoxyethanol 216.46
    isobutyl acetate 79.46
    tetrachloromethane 85.67
    n-pentyl acetate 113.51
    transcutol 137.31
    n-heptanol 72.4
    ethylbenzene 77.28
    MIBK 143.62
    2-propoxyethanol 222.12
    tert-butanol 139.72
    MTBE 118.34
    2-butoxyethanol 133.91
    propionic acid 71.98
    o-xylene 107.51
    formic acid 30.23
    diethyl ether 130.92
    m-xylene 150.24
    p-xylene 101.5
    chlorobenzene 192.71
    dimethyl carbonate 118.44
    n-octane 6.22
    formamide 64.84
    cyclopentanone 592.38
    2-pentanone 192.65
    anisole 156.14
    cyclopentyl methyl ether 243.85
    gamma-butyrolactone 517.27
    1-methoxy-2-propanol 208.59
    pyridine 320.08
    3-pentanone 139.2
    furfural 373.03
    n-dodecane 4.95
    diethylene glycol 144.07
    diisopropyl ether 49.65
    tert-amyl alcohol 71.69
    acetylacetone 255.68
    n-hexadecane 6.07
    acetophenone 140.53
    methyl propionate 155.18
    isopentyl acetate 138.54
    trichloroethylene 415.37
    n-nonanol 56.57
    cyclohexanol 100.89
    benzyl alcohol 109.63
    2-ethylhexanol 64.27
    isooctanol 60.37
    dipropyl ether 77.32
    1,2-dichlorobenzene 171.97
    ethyl lactate 61.35
    propylene carbonate 222.61
    n-methylformamide 196.02
    2-pentanol 71.25
    n-pentane 9.12
    1-propoxy-2-propanol 146.72
    1-methoxy-2-propyl acetate 183.68
    2-(2-methoxypropoxy) propanol 92.9
    mesitylene 91.55
    ε-caprolactone 240.04
    p-cymene 65.16
    epichlorohydrin 497.91
    1,1,1-trichloroethane 240.23
    2-aminoethanol 67.25
    morpholine-4-carbaldehyde 327.99
    sulfolane 385.94
    2,2,4-trimethylpentane 6.61
    2-methyltetrahydrofuran 312.22
    n-hexyl acetate 132.72
    isooctane 8.59
    2-(2-butoxyethoxy)ethanol 116.8
    sec-butyl acetate 70.36
    tert-butyl acetate 153.45
    decalin 10.7
    glycerin 74.58
    diglyme 238.32
    acrylic acid 74.08
    isopropyl myristate 56.96
    n-butyric acid 124.94
    acetyl acetate 128.56
    di(2-ethylhexyl) phthalate 62.02
    ethyl propionate 95.95
    nitromethane 217.0
    1,2-diethoxyethane 91.76
    benzonitrile 196.08
    trioctyl phosphate 51.23
    1-bromopropane 112.74
    gamma-valerolactone 566.07
    n-decanol 42.51
    triethyl phosphate 53.02
    4-methyl-2-pentanol 56.32
    propionitrile 176.06
    vinylene carbonate 241.39
    1,1,2-trichlorotrifluoroethane 204.73
    DMS 130.46
    cumene 55.58
    2-octanol 49.43
    2-hexanone 94.12
    octyl acetate 70.19
    limonene 68.91
    1,2-dimethoxyethane 194.15
    ethyl orthosilicate 51.39
    tributyl phosphate 48.77
    diacetone alcohol 153.45
    N,N-dimethylaniline 98.5
    acrylonitrile 234.54
    aniline 156.86
    1,3-propanediol 109.78
    bromobenzene 217.7
    dibromomethane 199.18
    1,1,2,2-tetrachloroethane 275.2
    2-methyl-cyclohexyl acetate 94.12
    tetrabutyl urea 65.59
    diisobutyl methanol 48.2
    2-phenylethanol 154.04
    styrene 81.31
    dioctyl adipate 69.59
    dimethyl sulfate 162.13
    ethyl butyrate 94.08
    methyl lactate 94.1
    butyl lactate 90.11
    diethyl carbonate 65.36
    propanediol butyl ether 89.83
    triethyl orthoformate 71.64
    p-tert-butyltoluene 68.39
    methyl 4-tert-butylbenzoate 148.71
    morpholine 346.76
    tert-butylamine 76.98
    n-dodecanol 31.04
    dimethoxymethane 342.01
    ethylene carbonate 193.58
    cyrene 119.49
    2-ethoxyethyl acetate 156.28
    2-ethylhexyl acetate 104.01
    1,2,4-trichlorobenzene 188.68
    4-methylpyridine 309.56
    dibutyl ether 50.28
    2,6-dimethyl-4-heptanol 48.2
    DEF 151.76
    dimethyl isosorbide 202.09
    tetrachloroethylene 188.08
    eugenol 133.79
    triacetin 114.83
    span 80 87.74
    1,4-butanediol 39.12
    1,1-dichloroethane 223.4
    2-methyl-1-pentanol 45.39
    methyl formate 189.42
    2-methyl-1-butanol 73.78
    n-decane 9.27
    butyronitrile 171.6
    3,7-dimethyl-1-octanol 54.43
    1-chlorooctane 43.76
    1-chlorotetradecane 16.92
    n-nonane 7.72
    undecane 6.63
    tert-butylcyclohexane 11.3
    cyclooctane 7.45
    cyclopentanol 147.75
    tetrahydropyran 297.54
    tert-amyl methyl ether 75.0
    2,5,8-trioxanonane 147.74
    1-hexene 23.94
    2-isopropoxyethanol 73.07
    2,2,2-trifluoroethanol 58.96
    methyl butyrate 111.25

    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