4-Methyl-8-methyleneadamantan-2-yl acetate

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  • Identifiers

    CAS number
    122760-85-4

    Molecular formula
    C14H20O2

    SMILES
    CC1C2CC3CC1C(C(C2)C3=C)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 79.46%
    Green 45.35%
    Herbal 42.92%
    Spicy 40.26%
    Fresh 36.31%
    Cedar 34.58%
    Balsamic 30.53%
    Pine 29.35%
    Mint 28.69%
    Camphoreous 26.55%

     

    Flavor
    Bitter 49.25%
    Fruity 38.57%
    Fruit 26.91%
    Herbal 25.73%
    Minty 24.04%
    Sweet 23.5%
    Cedarleaf 21.7%
    Mint 20.67%
    Sandalwood 20.49%
    Ripe apricot 20.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.87 (weak base)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    278°C

    Flash point

    • 102.78 ˚C est.

  • Synonyms

    • 122760-85-4
    • 4-Methyl-8-methyleneadamantan-2-yl acetate
    • I8G08N1DDS
    • EC 406-560-6
    • UNII-I8G08N1DDS
    • Tricyclo(3.3.1.13,7)decan-2-ol, 4-methyl-8-methylene-, acetate
    • 4-METHYL-8-METHYLENETRICYCLO[3.3.1.13,7]DEC-2-YL ACETATE
    • 4-Methyl-8-methylenetricyclo(3.3.1.13,7)dec-2-yl acetate
    • (4-methyl-8-methylidene-2-adamantyl) acetate
    • Tricyclo(3.3.1.13,7)decan-2-ol, 4-methyl-8-methylene-, 2-acetate
    • Tricyclo[3.3.1.13,7]decan-2-ol, 4-methyl-8-methylene-, 2-acetate
    • DTXSID40924271
    • HYZYPKCUAUVUJO-UHFFFAOYSA-N
    • 4-METHYL-8-METHYLIDENEADAMANTAN-2-YL ACETATE
    • Q27280574
    • 406-560-6

  • Applications

    For 4-Methyl-8-methyleneadamantan-2-yl acetate (CAS 122760-85-4), the compound is primarily encountered as a specialty fragrance intermediate and fixative in perfumery and cosmetics, helping to impart long-lasting, distinctive odor profiles in formulations. It is also evaluated as a synthetic building block or intermediate in medicinal chemistry for the development of adamantane-based pharmaceutical scaffolds. In polymer and materials chemistry, the bulky adamantane framework can be leveraged to prepare functionalized monomers or crosslinking agents for specialty polymers and coatings. Additionally, it may appear in fragrance-rated consumer products, including household cleaners, where its odor characteristics contribute to product experience, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 279.97
    methanol 381.36
    isopropanol 485.44
    water 1.84
    ethyl acetate 373.45
    n-propanol 348.46
    acetone 498.39
    n-butanol 317.92
    acetonitrile 371.67
    DMF 641.61
    toluene 536.0
    isobutanol 277.24
    1,4-dioxane 1354.06
    methyl acetate 397.32
    THF 1158.29
    2-butanone 454.87
    n-pentanol 124.18
    sec-butanol 252.92
    n-hexane 5.39
    ethylene glycol 56.69
    NMP 299.9
    cyclohexane 44.09
    DMSO 349.68
    n-butyl acetate 267.85
    n-octanol 70.02
    chloroform 2128.75
    n-propyl acetate 170.38
    acetic acid 228.63
    dichloromethane 1453.83
    cyclohexanone 641.2
    propylene glycol 89.53
    isopropyl acetate 247.26
    DMAc 357.05
    2-ethoxyethanol 187.05
    isopentanol 278.66
    n-heptane 6.58
    ethyl formate 296.3
    1,2-dichloroethane 706.55
    n-hexanol 184.37
    2-methoxyethanol 487.87
    isobutyl acetate 126.28
    tetrachloromethane 184.68
    n-pentyl acetate 147.84
    transcutol 920.68
    n-heptanol 83.78
    ethylbenzene 140.46
    MIBK 195.49
    2-propoxyethanol 359.8
    tert-butanol 447.21
    MTBE 239.56
    2-butoxyethanol 190.37
    propionic acid 227.0
    o-xylene 240.97
    formic acid 96.19
    diethyl ether 259.1
    m-xylene 284.55
    p-xylene 212.36
    chlorobenzene 502.86
    dimethyl carbonate 142.1
    n-octane 3.87
    formamide 197.57
    cyclopentanone 688.69
    2-pentanone 298.51
    anisole 262.93
    cyclopentyl methyl ether 329.16
    gamma-butyrolactone 704.64
    1-methoxy-2-propanol 388.74
    pyridine 963.47
    3-pentanone 214.39
    furfural 676.73
    n-dodecane 4.43
    diethylene glycol 276.84
    diisopropyl ether 70.44
    tert-amyl alcohol 202.62
    acetylacetone 381.94
    n-hexadecane 5.46
    acetophenone 224.2
    methyl propionate 251.39
    isopentyl acetate 245.74
    trichloroethylene 1500.76
    n-nonanol 65.46
    cyclohexanol 324.24
    benzyl alcohol 241.53
    2-ethylhexanol 91.95
    isooctanol 73.41
    dipropyl ether 80.78
    1,2-dichlorobenzene 379.54
    ethyl lactate 88.64
    propylene carbonate 360.94
    n-methylformamide 335.31
    2-pentanol 181.63
    n-pentane 11.56
    1-propoxy-2-propanol 243.5
    1-methoxy-2-propyl acetate 288.46
    2-(2-methoxypropoxy) propanol 178.28
    mesitylene 150.55
    ε-caprolactone 460.88
    p-cymene 78.86
    epichlorohydrin 898.23
    1,1,1-trichloroethane 634.83
    2-aminoethanol 134.48
    morpholine-4-carbaldehyde 523.59
    sulfolane 452.99
    2,2,4-trimethylpentane 8.73
    2-methyltetrahydrofuran 598.94
    n-hexyl acetate 182.97
    isooctane 8.35
    2-(2-butoxyethoxy)ethanol 269.82
    sec-butyl acetate 127.53
    tert-butyl acetate 212.08
    decalin 17.21
    glycerin 136.61
    diglyme 532.5
    acrylic acid 204.53
    isopropyl myristate 69.65
    n-butyric acid 373.9
    acetyl acetate 264.4
    di(2-ethylhexyl) phthalate 92.42
    ethyl propionate 138.84
    nitromethane 519.49
    1,2-diethoxyethane 293.55
    benzonitrile 433.09
    trioctyl phosphate 58.27
    1-bromopropane 304.21
    gamma-valerolactone 853.6
    n-decanol 48.78
    triethyl phosphate 75.45
    4-methyl-2-pentanol 115.89
    propionitrile 346.96
    vinylene carbonate 413.76
    1,1,2-trichlorotrifluoroethane 421.82
    DMS 207.18
    cumene 87.41
    2-octanol 56.53
    2-hexanone 158.67
    octyl acetate 87.55
    limonene 90.08
    1,2-dimethoxyethane 420.21
    ethyl orthosilicate 71.95
    tributyl phosphate 75.65
    diacetone alcohol 234.17
    N,N-dimethylaniline 146.16
    acrylonitrile 443.01
    aniline 512.87
    1,3-propanediol 281.67
    bromobenzene 523.96
    dibromomethane 836.24
    1,1,2,2-tetrachloroethane 1109.42
    2-methyl-cyclohexyl acetate 124.66
    tetrabutyl urea 88.93
    diisobutyl methanol 67.19
    2-phenylethanol 248.87
    styrene 178.04
    dioctyl adipate 99.63
    dimethyl sulfate 170.27
    ethyl butyrate 147.2
    methyl lactate 151.45
    butyl lactate 135.91
    diethyl carbonate 115.03
    propanediol butyl ether 179.04
    triethyl orthoformate 107.78
    p-tert-butyltoluene 74.93
    methyl 4-tert-butylbenzoate 171.93
    morpholine 1182.52
    tert-butylamine 217.57
    n-dodecanol 37.68
    dimethoxymethane 416.77
    ethylene carbonate 365.55
    cyrene 164.45
    2-ethoxyethyl acetate 244.46
    2-ethylhexyl acetate 172.33
    1,2,4-trichlorobenzene 431.46
    4-methylpyridine 858.54
    dibutyl ether 87.23
    2,6-dimethyl-4-heptanol 67.19
    DEF 245.16
    dimethyl isosorbide 316.33
    tetrachloroethylene 622.94
    eugenol 179.36
    triacetin 192.98
    span 80 153.57
    1,4-butanediol 71.8
    1,1-dichloroethane 809.4
    2-methyl-1-pentanol 123.57
    methyl formate 288.25
    2-methyl-1-butanol 199.41
    n-decane 6.98
    butyronitrile 367.87
    3,7-dimethyl-1-octanol 88.19
    1-chlorooctane 43.92
    1-chlorotetradecane 18.84
    n-nonane 5.56
    undecane 5.43
    tert-butylcyclohexane 13.39
    cyclooctane 11.32
    cyclopentanol 345.44
    tetrahydropyran 910.11
    tert-amyl methyl ether 120.08
    2,5,8-trioxanonane 329.15
    1-hexene 37.64
    2-isopropoxyethanol 143.36
    2,2,2-trifluoroethanol 130.2
    methyl butyrate 182.7

    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