Trachylobane

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  • Identifiers

    CAS number
    5282-35-9

    Molecular formula
    C20H32

    SMILES
    CC1(CCCC2(C1CCC34C2CC5C(C3)C5(C4)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.18%
    Amber 59.05%
    Dry 56.29%
    Cedar 42.99%
    Musk 40.37%
    Sweet 35.66%
    Sandalwood 34.44%
    Vetiver 32.71%
    Spicy 28.41%
    Animal 27.11%

     

    Flavor
    Sweet 58.96%
    Woody 52.76%
    Dry 41.9%
    Camphor 34.25%
    Earthy 33.37%
    Pine 31.6%
    Fir needle 30.16%
    Fresh 27.39%
    Wood 26.95%
    Medical 26.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    9.17 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 113.67 ˚C est.

  • Synonyms

    • Trachylobane
    • (-)-Trachylobane
    • Trachyloban
    • 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR,6aS,7aR,8S,8aR,9aR,9bR)-
    • 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, [4aR-(4a.alpha.,6a.beta.,7a.alpha.,8.beta.,8a.alpha.,9a.alpha.,9b.beta.)]-
    • 5,5,9,13-tetramethylpentacyclo(11.2.1.01,10.04,9.012,14)hexadecane
    • 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
    • 6a,8-Methano-6aH-cyclopropa(b)phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR,6aS,7aR,8S,8aR,9aR,9bR)-
    • RefChem:190546
    • 5282-35-9
    • 6a,8-Methano-6aH-cyclopropa(b)phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR-(4aalpha,6abeta,7aalpha,8beta,8aalpha,9aalpha,9bbeta))-
    • JTJZAWZRQPNBLR-UHFFFAOYSA-N
    • SCHEMBL30105461
    • 5282-35-9

  • Applications

    Trachylobane (CAS 5282-35-9) is under consideration for practical applications across several industries, including as a fragrance component and fixative in perfumery; as a fragrance ingredient in cosmetics and personal care; as a fragrance additive in household products and cleaning formulations; used as a solvent or processing aid and an intermediate in industrial manufacturing; and can be regarded as a fragrance component in coatings and inks or as a potential intermediate in polymer-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.57
    methanol 17.25
    isopropanol 47.47
    water 0.18
    ethyl acetate 120.06
    n-propanol 59.18
    acetone 102.84
    n-butanol 78.64
    acetonitrile 48.26
    DMF 70.36
    toluene 232.99
    isobutanol 49.54
    1,4-dioxane 231.28
    methyl acetate 75.58
    THF 457.65
    2-butanone 107.16
    n-pentanol 40.31
    sec-butanol 35.77
    n-hexane 19.94
    ethylene glycol 4.59
    NMP 97.73
    cyclohexane 53.77
    DMSO 31.32
    n-butyl acetate 135.42
    n-octanol 39.85
    chloroform 209.22
    n-propyl acetate 70.08
    acetic acid 25.81
    dichloromethane 146.03
    cyclohexanone 192.67
    propylene glycol 9.43
    isopropyl acetate 136.11
    DMAc 82.39
    2-ethoxyethanol 50.8
    isopentanol 76.39
    n-heptane 32.78
    ethyl formate 40.85
    1,2-dichloroethane 102.87
    n-hexanol 91.04
    2-methoxyethanol 68.55
    isobutyl acetate 81.09
    tetrachloromethane 48.9
    n-pentyl acetate 87.13
    transcutol 214.85
    n-heptanol 52.93
    ethylbenzene 76.54
    MIBK 128.77
    2-propoxyethanol 147.57
    tert-butanol 52.49
    MTBE 111.68
    2-butoxyethanol 86.04
    propionic acid 30.38
    o-xylene 108.15
    formic acid 5.93
    diethyl ether 163.26
    m-xylene 161.75
    p-xylene 90.63
    chlorobenzene 132.29
    dimethyl carbonate 54.75
    n-octane 10.54
    formamide 11.54
    cyclopentanone 204.03
    2-pentanone 134.64
    anisole 122.9
    cyclopentyl methyl ether 225.12
    gamma-butyrolactone 164.54
    1-methoxy-2-propanol 87.85
    pyridine 208.41
    3-pentanone 108.01
    furfural 120.11
    n-dodecane 7.57
    diethylene glycol 56.05
    diisopropyl ether 92.2
    tert-amyl alcohol 36.49
    acetylacetone 154.33
    n-hexadecane 9.24
    acetophenone 93.91
    methyl propionate 93.74
    isopentyl acetate 154.25
    trichloroethylene 167.04
    n-nonanol 44.53
    cyclohexanol 78.21
    benzyl alcohol 61.62
    2-ethylhexanol 72.78
    isooctanol 49.01
    dipropyl ether 148.22
    1,2-dichlorobenzene 110.33
    ethyl lactate 34.81
    propylene carbonate 98.2
    n-methylformamide 28.04
    2-pentanol 56.93
    n-pentane 31.7
    1-propoxy-2-propanol 125.35
    1-methoxy-2-propyl acetate 199.57
    2-(2-methoxypropoxy) propanol 85.13
    mesitylene 104.32
    ε-caprolactone 162.98
    p-cymene 72.83
    epichlorohydrin 176.24
    1,1,1-trichloroethane 116.23
    2-aminoethanol 14.73
    morpholine-4-carbaldehyde 141.17
    sulfolane 104.36
    2,2,4-trimethylpentane 15.43
    2-methyltetrahydrofuran 223.68
    n-hexyl acetate 109.31
    isooctane 20.43
    2-(2-butoxyethoxy)ethanol 109.55
    sec-butyl acetate 75.24
    tert-butyl acetate 158.61
    decalin 26.49
    glycerin 13.74
    diglyme 197.07
    acrylic acid 24.09
    isopropyl myristate 64.13
    n-butyric acid 75.17
    acetyl acetate 97.19
    di(2-ethylhexyl) phthalate 49.17
    ethyl propionate 83.69
    nitromethane 48.27
    1,2-diethoxyethane 138.55
    benzonitrile 85.83
    trioctyl phosphate 39.15
    1-bromopropane 99.35
    gamma-valerolactone 252.99
    n-decanol 33.86
    triethyl phosphate 59.71
    4-methyl-2-pentanol 57.77
    propionitrile 70.07
    vinylene carbonate 94.43
    1,1,2-trichlorotrifluoroethane 70.26
    DMS 93.48
    cumene 56.15
    2-octanol 33.39
    2-hexanone 72.23
    octyl acetate 63.33
    limonene 86.13
    1,2-dimethoxyethane 118.26
    ethyl orthosilicate 66.88
    tributyl phosphate 41.62
    diacetone alcohol 98.81
    N,N-dimethylaniline 80.22
    acrylonitrile 56.23
    aniline 117.39
    1,3-propanediol 35.38
    bromobenzene 164.02
    dibromomethane 117.56
    1,1,2,2-tetrachloroethane 131.2
    2-methyl-cyclohexyl acetate 105.97
    tetrabutyl urea 50.91
    diisobutyl methanol 62.42
    2-phenylethanol 103.73
    styrene 83.89
    dioctyl adipate 68.28
    dimethyl sulfate 50.63
    ethyl butyrate 116.33
    methyl lactate 37.75
    butyl lactate 59.32
    diethyl carbonate 72.64
    propanediol butyl ether 47.76
    triethyl orthoformate 108.15
    p-tert-butyltoluene 82.94
    methyl 4-tert-butylbenzoate 105.23
    morpholine 213.94
    tert-butylamine 49.4
    n-dodecanol 26.69
    dimethoxymethane 147.54
    ethylene carbonate 90.54
    cyrene 71.86
    2-ethoxyethyl acetate 125.96
    2-ethylhexyl acetate 134.86
    1,2,4-trichlorobenzene 127.21
    4-methylpyridine 189.29
    dibutyl ether 80.69
    2,6-dimethyl-4-heptanol 62.42
    DEF 101.95
    dimethyl isosorbide 165.07
    tetrachloroethylene 90.18
    eugenol 82.78
    triacetin 97.71
    span 80 73.45
    1,4-butanediol 12.32
    1,1-dichloroethane 104.49
    2-methyl-1-pentanol 40.43
    methyl formate 22.91
    2-methyl-1-butanol 58.86
    n-decane 14.68
    butyronitrile 83.08
    3,7-dimethyl-1-octanol 53.44
    1-chlorooctane 44.05
    1-chlorotetradecane 19.95
    n-nonane 12.55
    undecane 10.16
    tert-butylcyclohexane 22.48
    cyclooctane 29.46
    cyclopentanol 66.98
    tetrahydropyran 273.8
    tert-amyl methyl ether 82.86
    2,5,8-trioxanonane 130.7
    1-hexene 45.83
    2-isopropoxyethanol 50.51
    2,2,2-trifluoroethanol 15.85
    methyl butyrate 79.62

    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