1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate

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  • Identifiers

    CAS number
    20279-31-6

    Molecular formula
    C15H26O2

    SMILES
    CCCCC(=O)OC1CC2CCC1(C2(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 84.26%
    Fruity 80.13%
    Woody 80.0%
    Pine 62.71%
    Balsamic 59.55%
    Camphoreous 53.8%
    Mint 46.02%
    Spicy 44.2%
    Earthy 41.01%
    Cedar 37.41%

     

    Flavor
    Woody 58.31%
    Herbal 49.44%
    Camphor 44.02%
    Pine 37.02%
    Balsam 33.36%
    Green 28.02%
    Fruit 25.92%
    Sweet 25.8%
    Minty 24.56%
    Earthy 24.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.26 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 136.00 °C. @ 12.00 mm Hg

    Flash point

    • 110.0 ˚C est.

    Solubility expt.

    • Soluble in oils, Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • BORNYL VALERATE
    • 20279-31-6
    • Bornyl ester of n-pentanoic acid
    • Bornyl valerianate
    • 7549-41-9
    • bornylvalerianat
    • Borneol valerate
    • EINECS 228-233-5
    • Endo-2-Camphanyl valerate
    • endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl valerate
    • 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL PENTANOATE
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
    • SCHEMBL1171684
    • 2-Bornyl esterendo-Valeric acid
    • CHEMBL2253147
    • exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl valerate
    • Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
    • FEMA 2164
    • DTXSID70864090
    • NSC167386
    • AKOS017341543
    • NSC 167386
    • NSC-167386
    • alpha -terpinyl ester of N-pentanoic acid
    • .alpha.-Terpinyl ester of n-pentanoic acid
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate #
    • Endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl pentanoate

  • Applications

    For 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate (CAS 20279-31-6), this terpenoid ester is used as a fragrance aroma compound and a fixative in perfumery, helping to extend scent lifetimes in formulations. In cosmetics and personal care, it serves as a fragrance ingredient and contributes to odor stability in products such as creams, lotions, and shampoos. In household products, it is used as a scent ingredient and fixative in air fresheners, cleaners, and scented detergents. In industrial manufacturing of fragrance formulations, it may act as a building block or intermediate for more complex aroma compounds, depending on regional regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2190.85
    methanol 1837.06
    isopropanol 2634.44
    water 16.75
    ethyl acetate 3714.42
    n-propanol 1936.21
    acetone 3419.67
    n-butanol 1866.42
    acetonitrile 2458.68
    DMF 4082.06
    toluene 2064.68
    isobutanol 1774.32
    1,4-dioxane 6527.14
    methyl acetate 3164.66
    THF 5370.2
    2-butanone 2977.71
    n-pentanol 1046.84
    sec-butanol 1904.06
    n-hexane 171.66
    ethylene glycol 378.39
    NMP 1754.88
    cyclohexane 546.28
    DMSO 1649.39
    n-butyl acetate 2217.54
    n-octanol 588.61
    chloroform 6976.24
    n-propyl acetate 1864.35
    acetic acid 1432.95
    dichloromethane 5008.62
    cyclohexanone 3097.18
    propylene glycol 651.74
    isopropyl acetate 2949.77
    DMAc 2849.4
    2-ethoxyethanol 1784.39
    isopentanol 1787.72
    n-heptane 104.98
    ethyl formate 1848.68
    1,2-dichloroethane 3337.51
    n-hexanol 1382.06
    2-methoxyethanol 3004.76
    isobutyl acetate 1393.87
    tetrachloromethane 1180.7
    n-pentyl acetate 1172.37
    transcutol 4796.56
    n-heptanol 645.8
    ethylbenzene 1214.86
    MIBK 1736.66
    2-propoxyethanol 2487.69
    tert-butanol 2920.67
    MTBE 3356.72
    2-butoxyethanol 1401.24
    propionic acid 1329.41
    o-xylene 1239.75
    formic acid 594.81
    diethyl ether 2613.43
    m-xylene 1384.86
    p-xylene 2134.15
    chlorobenzene 2552.75
    dimethyl carbonate 1218.1
    n-octane 64.88
    formamide 1457.53
    cyclopentanone 3105.61
    2-pentanone 2205.52
    anisole 2357.33
    cyclopentyl methyl ether 1962.82
    gamma-butyrolactone 3335.88
    1-methoxy-2-propanol 2638.3
    pyridine 3991.08
    3-pentanone 1687.17
    furfural 3089.83
    n-dodecane 63.79
    diethylene glycol 1520.12
    diisopropyl ether 1082.42
    tert-amyl alcohol 1985.89
    acetylacetone 3332.47
    n-hexadecane 77.97
    acetophenone 1762.83
    methyl propionate 2179.69
    isopentyl acetate 2182.94
    trichloroethylene 5932.01
    n-nonanol 566.13
    cyclohexanol 1545.44
    benzyl alcohol 1401.85
    2-ethylhexanol 756.64
    isooctanol 598.46
    dipropyl ether 916.76
    1,2-dichlorobenzene 2255.76
    ethyl lactate 677.19
    propylene carbonate 2269.76
    n-methylformamide 2051.3
    2-pentanol 1378.97
    n-pentane 208.29
    1-propoxy-2-propanol 1706.5
    1-methoxy-2-propyl acetate 2378.53
    2-(2-methoxypropoxy) propanol 1277.44
    mesitylene 966.9
    ε-caprolactone 2791.9
    p-cymene 533.72
    epichlorohydrin 4151.48
    1,1,1-trichloroethane 4141.52
    2-aminoethanol 1016.82
    morpholine-4-carbaldehyde 3185.77
    sulfolane 2069.9
    2,2,4-trimethylpentane 150.46
    2-methyltetrahydrofuran 3561.39
    n-hexyl acetate 1571.25
    isooctane 147.68
    2-(2-butoxyethoxy)ethanol 1742.56
    sec-butyl acetate 1593.06
    tert-butyl acetate 2745.56
    decalin 262.52
    glycerin 706.38
    diglyme 3407.49
    acrylic acid 1033.63
    isopropyl myristate 647.84
    n-butyric acid 2287.92
    acetyl acetate 2620.24
    di(2-ethylhexyl) phthalate 531.0
    ethyl propionate 1689.97
    nitromethane 3420.14
    1,2-diethoxyethane 2280.89
    benzonitrile 2330.52
    trioctyl phosphate 375.77
    1-bromopropane 1812.33
    gamma-valerolactone 4488.49
    n-decanol 423.35
    triethyl phosphate 575.87
    4-methyl-2-pentanol 989.57
    propionitrile 2064.59
    vinylene carbonate 2394.55
    1,1,2-trichlorotrifluoroethane 2081.06
    DMS 1701.09
    cumene 789.62
    2-octanol 496.38
    2-hexanone 1580.8
    octyl acetate 768.15
    limonene 604.96
    1,2-dimethoxyethane 3489.29
    ethyl orthosilicate 589.17
    tributyl phosphate 497.95
    diacetone alcohol 1901.04
    N,N-dimethylaniline 1291.53
    acrylonitrile 2307.63
    aniline 2131.79
    1,3-propanediol 1653.38
    bromobenzene 2717.02
    dibromomethane 3125.69
    1,1,2,2-tetrachloroethane 4977.84
    2-methyl-cyclohexyl acetate 994.04
    tetrabutyl urea 535.77
    diisobutyl methanol 515.59
    2-phenylethanol 1588.14
    styrene 1466.12
    dioctyl adipate 790.57
    dimethyl sulfate 1274.09
    ethyl butyrate 1414.4
    methyl lactate 947.83
    butyl lactate 850.59
    diethyl carbonate 1085.55
    propanediol butyl ether 1001.98
    triethyl orthoformate 956.87
    p-tert-butyltoluene 559.52
    methyl 4-tert-butylbenzoate 1232.07
    morpholine 5776.44
    tert-butylamine 2014.38
    n-dodecanol 333.8
    dimethoxymethane 2977.36
    ethylene carbonate 2194.3
    cyrene 855.74
    2-ethoxyethyl acetate 1753.35
    2-ethylhexyl acetate 1584.19
    1,2,4-trichlorobenzene 2422.46
    4-methylpyridine 4169.68
    dibutyl ether 874.17
    2,6-dimethyl-4-heptanol 515.59
    DEF 2171.81
    dimethyl isosorbide 1922.64
    tetrachloroethylene 3130.09
    eugenol 1199.51
    triacetin 1373.01
    span 80 977.07
    1,4-butanediol 576.14
    1,1-dichloroethane 4003.64
    2-methyl-1-pentanol 998.2
    methyl formate 1565.1
    2-methyl-1-butanol 1462.43
    n-decane 100.64
    butyronitrile 2160.47
    3,7-dimethyl-1-octanol 757.74
    1-chlorooctane 439.7
    1-chlorotetradecane 208.84
    n-nonane 85.62
    undecane 77.49
    tert-butylcyclohexane 229.77
    cyclooctane 175.28
    cyclopentanol 1625.51
    tetrahydropyran 4466.56
    tert-amyl methyl ether 1737.46
    2,5,8-trioxanonane 2149.7
    1-hexene 649.36
    2-isopropoxyethanol 1353.91
    2,2,2-trifluoroethanol 861.93
    methyl butyrate 2090.85

    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