Acetoxymethylisolongifolene

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  • Identifiers

    CAS number
    59056-62-1

    Molecular formula
    C18H28O2

    SMILES
    CC(=O)OCC1CCC(C23C14C2CC(C3)C4(C)C)(C)C

  • Odor profile

    Fragrance
    Woody 93.54%
    Amber 64.36%
    Cedar 60.74%
    Dry 55.92%
    Vetiver 53.27%
    Sandalwood 46.81%
    Balsamic 41.78%
    Musk 41.12%
    Powdery 37.6%
    Earthy 36.78%

     

    Flavor
    Woody 64.89%
    Sweet 56.4%
    Pine 52.98%
    Camphor 52.01%
    Herbal 46.85%
    Balsam 44.59%
    Bitter 33.45%
    Citrus 31.07%
    Dry 29.98%
    Earthy 27.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.57 (weak base)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 78.21 ˚C est.

  • Synonyms

    • EINECS 261-579-5
    • 59056-62-1
    • Acetoxymethylisolongifolene
    • FBM3GR9V2S
    • DTXSID30866732
    • 2,3b-Methano-3bH-cyclopenta(1,3)cyclopropa(1,2)benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate
    • (5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methyl acetate
    • 2,3b-Methano-3bH-cyclopenta(1,3)cyclopropa(1,2)benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, 4-acetate
    • 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate
    • 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, 4-acetate
    • Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta(1,3)cyclopropa(1,2)benzene-4-methyl acetate
    • Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate
    • UNII-FBM3GR9V2S
    • SCHEMBL3505699
    • DTXCID60814988
    • ANPXCNWSCGYEMA-UHFFFAOYSA-N
    • NS00013070
    • 2,3b-Methano-3bH-cyclopenta1,3cyclopropa1,2benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate

  • Applications

    Acetoxymethylisolongifolene, CAS 59056-62-1, is primarily used as a fragrance ingredient and odorant in perfumery, and may function as a fixative to extend scent longevity. It can be incorporated into cosmetics and personal care formulations as a fragrance component, and into household products (such as air fresheners, cleaners, and laundry aids) to impart a distinctive aroma. In industrial manufacturing, it can serve as an intermediate in fragrance synthesis, enabling access to related aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.44
    methanol 82.3
    isopropanol 89.2
    water 2.69
    ethyl acetate 232.86
    n-propanol 92.9
    acetone 247.14
    n-butanol 83.36
    acetonitrile 169.35
    DMF 440.08
    toluene 205.08
    isobutanol 74.19
    1,4-dioxane 359.93
    methyl acetate 196.33
    THF 610.81
    2-butanone 194.52
    n-pentanol 39.04
    sec-butanol 64.97
    n-hexane 6.15
    ethylene glycol 44.18
    NMP 313.19
    cyclohexane 18.97
    DMSO 214.94
    n-butyl acetate 112.91
    n-octanol 22.7
    chloroform 582.63
    n-propyl acetate 95.87
    acetic acid 143.57
    dichloromethane 413.36
    cyclohexanone 271.6
    propylene glycol 44.51
    isopropyl acetate 192.94
    DMAc 324.79
    2-ethoxyethanol 100.44
    isopentanol 80.06
    n-heptane 4.49
    ethyl formate 103.63
    1,2-dichloroethane 280.13
    n-hexanol 63.08
    2-methoxyethanol 238.58
    isobutyl acetate 79.16
    tetrachloromethane 101.66
    n-pentyl acetate 80.69
    transcutol 205.52
    n-heptanol 35.91
    ethylbenzene 69.66
    MIBK 138.67
    2-propoxyethanol 187.48
    tert-butanol 103.47
    MTBE 122.1
    2-butoxyethanol 102.74
    propionic acid 108.9
    o-xylene 100.97
    formic acid 77.7
    diethyl ether 143.54
    m-xylene 132.62
    p-xylene 87.43
    chlorobenzene 213.07
    dimethyl carbonate 196.97
    n-octane 1.86
    formamide 146.61
    cyclopentanone 402.8
    2-pentanone 185.06
    anisole 164.58
    cyclopentyl methyl ether 238.7
    gamma-butyrolactone 450.97
    1-methoxy-2-propanol 221.7
    pyridine 337.34
    3-pentanone 167.81
    furfural 377.3
    n-dodecane 1.48
    diethylene glycol 156.0
    diisopropyl ether 59.55
    tert-amyl alcohol 69.04
    acetylacetone 306.66
    n-hexadecane 1.84
    acetophenone 144.92
    methyl propionate 222.14
    isopentyl acetate 123.44
    trichloroethylene 595.74
    n-nonanol 25.29
    cyclohexanol 97.24
    benzyl alcohol 100.8
    2-ethylhexanol 36.75
    isooctanol 31.8
    dipropyl ether 54.86
    1,2-dichlorobenzene 197.3
    ethyl lactate 65.51
    propylene carbonate 233.84
    n-methylformamide 197.44
    2-pentanol 58.94
    n-pentane 8.78
    1-propoxy-2-propanol 116.86
    1-methoxy-2-propyl acetate 215.93
    2-(2-methoxypropoxy) propanol 91.5
    mesitylene 74.98
    ε-caprolactone 241.69
    p-cymene 36.37
    epichlorohydrin 550.15
    1,1,1-trichloroethane 324.15
    2-aminoethanol 72.34
    morpholine-4-carbaldehyde 377.87
    sulfolane 401.53
    2,2,4-trimethylpentane 6.26
    2-methyltetrahydrofuran 291.7
    n-hexyl acetate 87.68
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 105.69
    sec-butyl acetate 88.82
    tert-butyl acetate 205.28
    decalin 10.38
    glycerin 90.76
    diglyme 239.41
    acrylic acid 121.23
    isopropyl myristate 37.53
    n-butyric acid 151.84
    acetyl acetate 233.94
    di(2-ethylhexyl) phthalate 48.69
    ethyl propionate 123.84
    nitromethane 389.42
    1,2-diethoxyethane 85.32
    benzonitrile 145.7
    trioctyl phosphate 32.22
    1-bromopropane 119.48
    gamma-valerolactone 512.59
    n-decanol 17.49
    triethyl phosphate 61.34
    4-methyl-2-pentanol 48.52
    propionitrile 149.92
    vinylene carbonate 248.16
    1,1,2-trichlorotrifluoroethane 333.02
    DMS 166.12
    cumene 43.93
    2-octanol 20.16
    2-hexanone 76.72
    octyl acetate 45.22
    limonene 41.29
    1,2-dimethoxyethane 187.68
    ethyl orthosilicate 55.01
    tributyl phosphate 37.22
    diacetone alcohol 162.85
    N,N-dimethylaniline 97.25
    acrylonitrile 202.94
    aniline 196.32
    1,3-propanediol 114.16
    bromobenzene 224.93
    dibromomethane 243.87
    1,1,2,2-tetrachloroethane 415.61
    2-methyl-cyclohexyl acetate 84.78
    tetrabutyl urea 44.58
    diisobutyl methanol 29.34
    2-phenylethanol 119.97
    styrene 83.67
    dioctyl adipate 54.51
    dimethyl sulfate 283.37
    ethyl butyrate 86.33
    methyl lactate 127.35
    butyl lactate 67.99
    diethyl carbonate 75.8
    propanediol butyl ether 63.98
    triethyl orthoformate 71.72
    p-tert-butyltoluene 38.88
    methyl 4-tert-butylbenzoate 121.33
    morpholine 362.83
    tert-butylamine 64.67
    n-dodecanol 12.65
    dimethoxymethane 365.34
    ethylene carbonate 206.27
    cyrene 117.3
    2-ethoxyethyl acetate 145.78
    2-ethylhexyl acetate 96.91
    1,2,4-trichlorobenzene 244.96
    4-methylpyridine 315.81
    dibutyl ether 28.68
    2,6-dimethyl-4-heptanol 29.34
    DEF 180.31
    dimethyl isosorbide 183.86
    tetrachloroethylene 265.78
    eugenol 116.38
    triacetin 128.16
    span 80 71.38
    1,4-butanediol 34.85
    1,1-dichloroethane 272.48
    2-methyl-1-pentanol 40.25
    methyl formate 161.49
    2-methyl-1-butanol 68.69
    n-decane 2.77
    butyronitrile 113.17
    3,7-dimethyl-1-octanol 31.02
    1-chlorooctane 17.59
    1-chlorotetradecane 7.27
    n-nonane 2.21
    undecane 1.96
    tert-butylcyclohexane 8.55
    cyclooctane 7.34
    cyclopentanol 116.25
    tetrahydropyran 264.02
    tert-amyl methyl ether 89.19
    2,5,8-trioxanonane 137.47
    1-hexene 22.45
    2-isopropoxyethanol 76.0
    2,2,2-trifluoroethanol 147.68
    methyl butyrate 116.11

    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