(1S,2S,7S,10S,12S)-2,6,6-Trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane

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  • Identifiers

    CAS number
    52592-29-7

    Molecular formula
    C20H32

    SMILES
    C[C@]12CCCC([C@@H]1CC[C@@H]3[C@@]24CCC(=C)[C@@H](C3)C4)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.01%
    Sweet 54.48%
    Dry 50.91%
    Amber 46.48%
    Cedar 40.37%
    Green 34.18%
    Spicy 34.1%
    Fresh 33.93%
    Camphoreous 33.24%
    Musk 33.08%

     

    Flavor
    Sweet 51.63%
    Woody 48.55%
    Dry 41.54%
    Wood 37.01%
    Fir needle 30.47%
    Camphor 30.42%
    Pine 27.81%
    Balsamic 26.33%
    Spice 25.05%
    Old paper 24.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    10.05 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 154.2 ˚C est.

  • Synonyms

    • 52592-29-7
    • Aphidicol-16-ene
    • (1S,2S,7S,10S,12S)-2,6,6-Trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
    • CHEBI:29518
    • DTXSID30332109
    • (4aS,6aS,8S,11aS,11bS)-4,4,11b-Trimethyl-9-methylidenetetradecahydro-8,11a-methanocyclohepta[a]naphthalene
    • 52592-29-7

  • Applications

    Identified by the chemical name (1S,2S,7S,10S,12S)-2,6,6-Trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane, CAS 52592-29-7, this compound is primarily regarded as a synthetic intermediate and a rigid hydrocarbon scaffold with potential applications across several sectors: as a fragrance component or odor fixative in perfumery; as a monomer or building block for high-performance polymers and specialty resins via ROMP or related polymerization routes; as an additive or crosslinking precursor in coatings, inks, and adhesives to tailor mechanical and thermal properties; and as an intermediate in organic synthesis for the preparation of specialty chemicals; its actual use will depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.78
    methanol 35.23
    isopropanol 95.04
    water 0.19
    ethyl acetate 248.96
    n-propanol 98.93
    acetone 235.57
    n-butanol 144.54
    acetonitrile 98.24
    DMF 228.99
    toluene 609.85
    isobutanol 92.79
    1,4-dioxane 475.87
    methyl acetate 151.16
    THF 1164.58
    2-butanone 219.23
    n-pentanol 56.26
    sec-butanol 58.91
    n-hexane 22.98
    ethylene glycol 5.39
    NMP 222.67
    cyclohexane 97.29
    DMSO 67.37
    n-butyl acetate 303.42
    n-octanol 65.09
    chloroform 454.63
    n-propyl acetate 130.21
    acetic acid 39.34
    dichloromethane 354.6
    cyclohexanone 465.21
    propylene glycol 11.4
    isopropyl acetate 280.09
    DMAc 175.99
    2-ethoxyethanol 62.04
    isopentanol 150.71
    n-heptane 47.17
    ethyl formate 86.69
    1,2-dichloroethane 230.56
    n-hexanol 148.73
    2-methoxyethanol 120.62
    isobutyl acetate 148.79
    tetrachloromethane 110.71
    n-pentyl acetate 186.48
    transcutol 371.24
    n-heptanol 86.68
    ethylbenzene 156.63
    MIBK 272.83
    2-propoxyethanol 223.04
    tert-butanol 114.46
    MTBE 209.0
    2-butoxyethanol 133.48
    propionic acid 53.31
    o-xylene 243.3
    formic acid 7.74
    diethyl ether 286.47
    m-xylene 402.6
    p-xylene 189.21
    chlorobenzene 326.8
    dimethyl carbonate 114.32
    n-octane 14.46
    formamide 18.27
    cyclopentanone 551.93
    2-pentanone 292.41
    anisole 250.21
    cyclopentyl methyl ether 509.55
    gamma-butyrolactone 435.36
    1-methoxy-2-propanol 161.28
    pyridine 496.03
    3-pentanone 208.99
    furfural 286.08
    n-dodecane 9.77
    diethylene glycol 80.61
    diisopropyl ether 152.4
    tert-amyl alcohol 64.23
    acetylacetone 342.16
    n-hexadecane 12.21
    acetophenone 198.82
    methyl propionate 189.41
    isopentyl acetate 334.7
    trichloroethylene 409.11
    n-nonanol 71.41
    cyclohexanol 152.34
    benzyl alcohol 118.57
    2-ethylhexanol 122.19
    isooctanol 84.84
    dipropyl ether 275.23
    1,2-dichlorobenzene 268.58
    ethyl lactate 52.32
    propylene carbonate 234.25
    n-methylformamide 67.42
    2-pentanol 99.75
    n-pentane 43.83
    1-propoxy-2-propanol 224.52
    1-methoxy-2-propyl acetate 362.52
    2-(2-methoxypropoxy) propanol 137.4
    mesitylene 245.59
    ε-caprolactone 338.9
    p-cymene 151.74
    epichlorohydrin 393.65
    1,1,1-trichloroethane 268.06
    2-aminoethanol 18.37
    morpholine-4-carbaldehyde 282.51
    sulfolane 265.5
    2,2,4-trimethylpentane 21.0
    2-methyltetrahydrofuran 474.96
    n-hexyl acetate 209.58
    isooctane 29.02
    2-(2-butoxyethoxy)ethanol 175.92
    sec-butyl acetate 136.56
    tert-butyl acetate 319.96
    decalin 40.13
    glycerin 19.39
    diglyme 349.82
    acrylic acid 40.89
    isopropyl myristate 112.46
    n-butyric acid 147.66
    acetyl acetate 182.68
    di(2-ethylhexyl) phthalate 93.62
    ethyl propionate 148.53
    nitromethane 93.9
    1,2-diethoxyethane 255.0
    benzonitrile 208.02
    trioctyl phosphate 70.91
    1-bromopropane 212.53
    gamma-valerolactone 553.62
    n-decanol 52.9
    triethyl phosphate 103.39
    4-methyl-2-pentanol 100.89
    propionitrile 160.96
    vinylene carbonate 216.62
    1,1,2-trichlorotrifluoroethane 125.08
    DMS 172.69
    cumene 108.58
    2-octanol 57.61
    2-hexanone 129.69
    octyl acetate 113.12
    limonene 176.02
    1,2-dimethoxyethane 225.86
    ethyl orthosilicate 112.03
    tributyl phosphate 80.36
    diacetone alcohol 189.99
    N,N-dimethylaniline 166.08
    acrylonitrile 136.78
    aniline 273.31
    1,3-propanediol 60.45
    bromobenzene 433.35
    dibromomethane 262.46
    1,1,2,2-tetrachloroethane 297.52
    2-methyl-cyclohexyl acetate 190.89
    tetrabutyl urea 103.6
    diisobutyl methanol 112.51
    2-phenylethanol 204.67
    styrene 187.07
    dioctyl adipate 134.34
    dimethyl sulfate 109.7
    ethyl butyrate 232.01
    methyl lactate 65.61
    butyl lactate 110.0
    diethyl carbonate 135.91
    propanediol butyl ether 80.98
    triethyl orthoformate 186.13
    p-tert-butyltoluene 165.32
    methyl 4-tert-butylbenzoate 217.24
    morpholine 421.48
    tert-butylamine 105.62
    n-dodecanol 40.53
    dimethoxymethane 341.61
    ethylene carbonate 203.49
    cyrene 128.99
    2-ethoxyethyl acetate 230.79
    2-ethylhexyl acetate 275.66
    1,2,4-trichlorobenzene 281.54
    4-methylpyridine 499.19
    dibutyl ether 141.22
    2,6-dimethyl-4-heptanol 112.51
    DEF 215.14
    dimethyl isosorbide 342.36
    tetrachloroethylene 199.16
    eugenol 157.77
    triacetin 175.64
    span 80 126.92
    1,4-butanediol 14.45
    1,1-dichloroethane 232.66
    2-methyl-1-pentanol 62.27
    methyl formate 58.56
    2-methyl-1-butanol 101.56
    n-decane 19.75
    butyronitrile 196.17
    3,7-dimethyl-1-octanol 91.51
    1-chlorooctane 71.28
    1-chlorotetradecane 30.47
    n-nonane 16.91
    undecane 13.39
    tert-butylcyclohexane 33.83
    cyclooctane 43.94
    cyclopentanol 134.83
    tetrahydropyran 602.65
    tert-amyl methyl ether 136.69
    2,5,8-trioxanonane 222.74
    1-hexene 68.68
    2-isopropoxyethanol 65.83
    2,2,2-trifluoroethanol 23.56
    methyl butyrate 155.88

    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