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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61826-52-6

    Molecular formula
    C17H26O2

    SMILES
    CC1(CCC(=C2C13CC[C@@H](C3)C2(C)C)COC=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.58%
    Amber 62.79%
    Dry 56.4%
    Cedar 54.67%
    Vetiver 48.15%
    Sandalwood 46.09%
    Musk 42.45%
    Powdery 36.39%
    Balsamic 35.97%
    Orris 31.2%

     

    Flavor
    Woody 68.89%
    Camphor 46.75%
    Pine 44.01%
    Herbal 43.73%
    Sweet 42.53%
    Balsam 40.04%
    Earthy 32.05%
    Dry 30.91%
    Wood 30.47%
    Spicy 30.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.23 (weak base)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 143.44 ˚C est.

  • Synonyms

    • EINECS 263-250-1
    • 61826-52-6
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, formate, (2S)-
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 8-formate, (2S,4aR)-
    • RefChem:90099
    • (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-methyl formate
    • JQKOBLAHVJOOFB-CWQZNGJJSA-N
    • DTXSID901014988
    • NS00012555
    • [(2S)-1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-8-yl]methyl formate
    • 61826-52-6

  • Applications

    2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 8-formate, (2S,4aR)- (CAS 61826-52-6) is primarily used as a synthetic intermediate in organic synthesis to access rigid polycyclic frameworks. It is commonly evaluated as a chiral building block for the preparation of pharmaceutical and agrochemical actives, as well as related specialty chemicals. In fragrance chemistry, it may serve as a niche aroma precursor or odorant component due to its distinctive rigid scaffold and functional groups. In polymer and coatings industries, it can function as a specialty monomer or crosslinking modifier to impart rigidity or stereochemical control in targeted materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.9
    methanol 121.45
    isopropanol 86.07
    water 1.21
    ethyl acetate 350.14
    n-propanol 101.62
    acetone 411.23
    n-butanol 89.41
    acetonitrile 273.2
    DMF 586.67
    toluene 379.43
    isobutanol 70.93
    1,4-dioxane 460.84
    methyl acetate 282.2
    THF 1129.78
    2-butanone 309.91
    n-pentanol 38.94
    sec-butanol 56.83
    n-hexane 4.14
    ethylene glycol 39.84
    NMP 434.77
    cyclohexane 14.78
    DMSO 296.57
    n-butyl acetate 160.61
    n-octanol 27.48
    chloroform 889.09
    n-propyl acetate 148.35
    acetic acid 146.33
    dichloromethane 697.78
    cyclohexanone 453.93
    propylene glycol 40.7
    isopropyl acetate 262.05
    DMAc 365.35
    2-ethoxyethanol 112.85
    isopentanol 81.64
    n-heptane 3.88
    ethyl formate 172.47
    1,2-dichloroethane 473.83
    n-hexanol 65.18
    2-methoxyethanol 269.27
    isobutyl acetate 112.61
    tetrachloromethane 133.4
    n-pentyl acetate 115.06
    transcutol 291.3
    n-heptanol 39.98
    ethylbenzene 105.79
    MIBK 199.75
    2-propoxyethanol 216.59
    tert-butanol 99.6
    MTBE 129.46
    2-butoxyethanol 130.38
    propionic acid 126.58
    o-xylene 154.99
    formic acid 75.97
    diethyl ether 172.99
    m-xylene 206.89
    p-xylene 124.46
    chlorobenzene 395.76
    dimethyl carbonate 260.43
    n-octane 1.91
    formamide 166.29
    cyclopentanone 774.19
    2-pentanone 289.89
    anisole 255.29
    cyclopentyl methyl ether 340.19
    gamma-butyrolactone 824.03
    1-methoxy-2-propanol 242.76
    pyridine 599.93
    3-pentanone 235.49
    furfural 643.17
    n-dodecane 1.5
    diethylene glycol 161.09
    diisopropyl ether 59.46
    tert-amyl alcohol 61.69
    acetylacetone 474.46
    n-hexadecane 1.88
    acetophenone 233.49
    methyl propionate 314.48
    isopentyl acetate 159.68
    trichloroethylene 1089.56
    n-nonanol 28.29
    cyclohexanol 105.37
    benzyl alcohol 156.41
    2-ethylhexanol 41.6
    isooctanol 34.63
    dipropyl ether 63.02
    1,2-dichlorobenzene 347.5
    ethyl lactate 84.67
    propylene carbonate 396.73
    n-methylformamide 321.03
    2-pentanol 55.74
    n-pentane 6.12
    1-propoxy-2-propanol 137.96
    1-methoxy-2-propyl acetate 287.42
    2-(2-methoxypropoxy) propanol 106.91
    mesitylene 101.06
    ε-caprolactone 386.79
    p-cymene 53.59
    epichlorohydrin 916.34
    1,1,1-trichloroethane 503.53
    2-aminoethanol 66.91
    morpholine-4-carbaldehyde 488.32
    sulfolane 661.41
    2,2,4-trimethylpentane 4.74
    2-methyltetrahydrofuran 445.36
    n-hexyl acetate 126.82
    isooctane 5.09
    2-(2-butoxyethoxy)ethanol 128.56
    sec-butyl acetate 122.2
    tert-butyl acetate 268.55
    decalin 9.5
    glycerin 84.04
    diglyme 311.31
    acrylic acid 148.75
    isopropyl myristate 46.66
    n-butyric acid 202.33
    acetyl acetate 314.19
    di(2-ethylhexyl) phthalate 62.5
    ethyl propionate 166.97
    nitromethane 522.35
    1,2-diethoxyethane 117.91
    benzonitrile 275.21
    trioctyl phosphate 40.61
    1-bromopropane 179.27
    gamma-valerolactone 822.27
    n-decanol 19.7
    triethyl phosphate 75.88
    4-methyl-2-pentanol 49.22
    propionitrile 234.63
    vinylene carbonate 407.47
    1,1,2-trichlorotrifluoroethane 421.91
    DMS 231.54
    cumene 63.11
    2-octanol 23.54
    2-hexanone 110.78
    octyl acetate 56.59
    limonene 55.77
    1,2-dimethoxyethane 252.05
    ethyl orthosilicate 65.17
    tributyl phosphate 47.25
    diacetone alcohol 217.97
    N,N-dimethylaniline 139.65
    acrylonitrile 375.56
    aniline 309.0
    1,3-propanediol 113.32
    bromobenzene 442.42
    dibromomethane 412.04
    1,1,2,2-tetrachloroethane 660.63
    2-methyl-cyclohexyl acetate 109.76
    tetrabutyl urea 56.99
    diisobutyl methanol 33.98
    2-phenylethanol 167.51
    styrene 139.47
    dioctyl adipate 70.86
    dimethyl sulfate 358.95
    ethyl butyrate 121.65
    methyl lactate 156.43
    butyl lactate 96.52
    diethyl carbonate 101.81
    propanediol butyl ether 79.64
    triethyl orthoformate 89.41
    p-tert-butyltoluene 54.97
    methyl 4-tert-butylbenzoate 170.41
    morpholine 492.06
    tert-butylamine 56.28
    n-dodecanol 13.8
    dimethoxymethane 485.48
    ethylene carbonate 332.28
    cyrene 150.65
    2-ethoxyethyl acetate 214.64
    2-ethylhexyl acetate 119.6
    1,2,4-trichlorobenzene 395.65
    4-methylpyridine 577.55
    dibutyl ether 33.96
    2,6-dimethyl-4-heptanol 33.98
    DEF 256.67
    dimethyl isosorbide 255.53
    tetrachloroethylene 420.81
    eugenol 158.98
    triacetin 167.44
    span 80 83.65
    1,4-butanediol 33.7
    1,1-dichloroethane 441.59
    2-methyl-1-pentanol 39.34
    methyl formate 284.25
    2-methyl-1-butanol 64.73
    n-decane 2.94
    butyronitrile 178.08
    3,7-dimethyl-1-octanol 34.22
    1-chlorooctane 23.38
    1-chlorotetradecane 7.92
    n-nonane 2.39
    undecane 2.02
    tert-butylcyclohexane 8.38
    cyclooctane 5.77
    cyclopentanol 135.88
    tetrahydropyran 392.36
    tert-amyl methyl ether 90.37
    2,5,8-trioxanonane 175.59
    1-hexene 23.4
    2-isopropoxyethanol 85.27
    2,2,2-trifluoroethanol 138.8
    methyl butyrate 179.96

    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