1,3,3-Trimethylbicyclo[2.2.1]heptan-2-YL 3-methylbutanoate

  • Identifiers

    Molecular formula
    C15H26O2

    SMILES
    CC(C)CC(=O)OC1C(C2CCC1(C2)C)(C)C

  • Odor profile

    Fragrance
    Herbal 66.21%
    Woody 57.1%
    Fruity 52.51%
    Pine 52.06%
    Mint 44.32%
    Balsamic 42.43%
    Camphoreous 42.19%
    Cooling 35.85%
    Spicy 34.27%
    Earthy 31.51%

     

    Flavor
    Herbal 51.49%
    Woody 50.16%
    Sweet 46.33%
    Camphor 40.83%
    Pine 40.36%
    Bitter 33.28%
    Citrus 29.18%
    Balsam 28.63%
    Green 26.19%
    Fir 24.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.8 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 118.69 ˚C est.

  • Synonyms

    • 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 3-METHYLBUTANOATE
    • bornylisovalerat
    • SCHEMBL19919342
    • DTXSID30975075
    • UWEYUMKZEVARAF-UHFFFAOYSA-N
    • NS00012018
  • Applications

    1,3,3-Trimethylbicyclo[2.2.1]heptan-2-YL 3-methylbutanoate is primarily used in perfumery as a fragrance fixative and odorant, helping to stabilize and extend the scent notes; it is also employed in cosmetics and personal care products as a scent component that provides woody, pine-like nuances; in household products such as air fresheners and detergents it contributes a lasting aroma; in coatings and inks as a fragrance additive to impart a subtle characteristic odor; and it can serve as an intermediate in industrial fragrance formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3561.81
    methanol 3170.14
    isopropanol 4190.02
    water 29.25
    ethyl acetate 4363.67
    n-propanol 3306.24
    acetone 4736.42
    n-butanol 3601.61
    acetonitrile 3587.4
    DMF 5418.0
    toluene 2920.94
    isobutanol 3531.35
    1,4-dioxane 6383.75
    methyl acetate 3699.2
    THF 7505.29
    2-butanone 3749.36
    n-pentanol 2115.88
    sec-butanol 3617.35
    n-hexane 851.94
    ethylene glycol 762.09
    NMP 3188.74
    cyclohexane 1464.61
    DMSO 1810.97
    n-butyl acetate 4157.21
    n-octanol 1708.52
    chloroform 9931.22
    n-propyl acetate 2765.8
    acetic acid 4232.98
    dichloromethane 6096.64
    cyclohexanone 5141.08
    propylene glycol 1198.05
    isopropyl acetate 4497.57
    DMAc 4016.64
    2-ethoxyethanol 2621.2
    isopentanol 3979.95
    n-heptane 408.76
    ethyl formate 2957.77
    1,2-dichloroethane 4522.75
    n-hexanol 3458.73
    2-methoxyethanol 4129.16
    isobutyl acetate 2385.11
    tetrachloromethane 2281.1
    n-pentyl acetate 2443.97
    transcutol 5971.74
    n-heptanol 1648.76
    ethylbenzene 1805.56
    MIBK 3322.53
    2-propoxyethanol 4689.91
    tert-butanol 4494.5
    MTBE 5709.98
    2-butoxyethanol 2570.26
    propionic acid 2601.46
    o-xylene 1955.39
    formic acid 1499.56
    diethyl ether 4078.89
    m-xylene 2414.91
    p-xylene 2807.88
    chlorobenzene 3321.59
    dimethyl carbonate 1609.2
    n-octane 235.3
    formamide 2105.84
    cyclopentanone 4691.51
    2-pentanone 3806.15
    anisole 2580.04
    cyclopentyl methyl ether 3966.23
    gamma-butyrolactone 4664.95
    1-methoxy-2-propanol 3600.99
    pyridine 4267.57
    3-pentanone 2571.25
    furfural 4036.39
    n-dodecane 171.99
    diethylene glycol 2485.84
    diisopropyl ether 2395.25
    tert-amyl alcohol 3847.28
    acetylacetone 4245.55
    n-hexadecane 202.43
    acetophenone 2181.13
    methyl propionate 2681.11
    isopentyl acetate 4549.75
    trichloroethylene 8346.78
    n-nonanol 1468.4
    cyclohexanol 3659.74
    benzyl alcohol 1934.99
    2-ethylhexanol 2079.59
    isooctanol 1500.31
    dipropyl ether 1792.83
    1,2-dichlorobenzene 2797.63
    ethyl lactate 1122.42
    propylene carbonate 3588.53
    n-methylformamide 2940.13
    2-pentanol 3216.7
    n-pentane 862.2
    1-propoxy-2-propanol 3066.7
    1-methoxy-2-propyl acetate 3475.48
    2-(2-methoxypropoxy) propanol 1810.38
    mesitylene 1731.35
    ε-caprolactone 4917.7
    p-cymene 997.88
    epichlorohydrin 6060.86
    1,1,1-trichloroethane 6433.16
    2-aminoethanol 1716.4
    morpholine-4-carbaldehyde 4503.56
    sulfolane 3089.45
    2,2,4-trimethylpentane 532.15
    2-methyltetrahydrofuran 5890.98
    n-hexyl acetate 3589.16
    isooctane 484.81
    2-(2-butoxyethoxy)ethanol 2559.51
    sec-butyl acetate 2678.81
    tert-butyl acetate 4307.06
    decalin 718.36
    glycerin 1407.69
    diglyme 4392.63
    acrylic acid 2145.1
    isopropyl myristate 1215.54
    n-butyric acid 4758.63
    acetyl acetate 3413.14
    di(2-ethylhexyl) phthalate 922.19
    ethyl propionate 2372.13
    nitromethane 5569.63
    1,2-diethoxyethane 2990.71
    benzonitrile 2844.85
    trioctyl phosphate 734.9
    1-bromopropane 3187.23
    gamma-valerolactone 6307.3
    n-decanol 1005.9
    triethyl phosphate 901.41
    4-methyl-2-pentanol 2392.98
    propionitrile 2836.03
    vinylene carbonate 3245.25
    1,1,2-trichlorotrifluoroethane 3911.45
    DMS 2419.55
    cumene 1393.38
    2-octanol 1351.64
    2-hexanone 2531.36
    octyl acetate 1467.18
    limonene 1315.78
    1,2-dimethoxyethane 4670.64
    ethyl orthosilicate 981.28
    tributyl phosphate 969.32
    diacetone alcohol 3056.37
    N,N-dimethylaniline 1686.08
    acrylonitrile 2848.44
    aniline 2646.16
    1,3-propanediol 2748.94
    bromobenzene 3420.69
    dibromomethane 4280.37
    1,1,2,2-tetrachloroethane 7114.69
    2-methyl-cyclohexyl acetate 1772.92
    tetrabutyl urea 1002.93
    diisobutyl methanol 1158.46
    2-phenylethanol 2538.78
    styrene 1981.9
    dioctyl adipate 1226.83
    dimethyl sulfate 1718.09
    ethyl butyrate 2283.89
    methyl lactate 1462.34
    butyl lactate 1696.14
    diethyl carbonate 1456.17
    propanediol butyl ether 2037.98
    triethyl orthoformate 1599.91
    p-tert-butyltoluene 1010.46
    methyl 4-tert-butylbenzoate 1855.95
    morpholine 6300.16
    tert-butylamine 3373.94
    n-dodecanol 726.09
    dimethoxymethane 3631.99
    ethylene carbonate 3223.88
    cyrene 1262.53
    2-ethoxyethyl acetate 2760.85
    2-ethylhexyl acetate 3232.53
    1,2,4-trichlorobenzene 3012.69
    4-methylpyridine 5487.97
    dibutyl ether 1873.58
    2,6-dimethyl-4-heptanol 1158.46
    DEF 3767.21
    dimethyl isosorbide 2575.5
    tetrachloroethylene 4957.42
    eugenol 1625.68
    triacetin 2013.4
    span 80 1561.49
    1,4-butanediol 1112.78
    1,1-dichloroethane 6232.27
    2-methyl-1-pentanol 2461.48
    methyl formate 2539.78
    2-methyl-1-butanol 3589.34
    n-decane 320.82
    butyronitrile 3732.31
    3,7-dimethyl-1-octanol 1825.43
    1-chlorooctane 1195.16
    1-chlorotetradecane 447.27
    n-nonane 316.69
    undecane 221.62
    tert-butylcyclohexane 673.29
    cyclooctane 579.5
    cyclopentanol 3042.58
    tetrahydropyran 6248.73
    tert-amyl methyl ether 3510.7
    2,5,8-trioxanonane 2360.38
    1-hexene 1985.42
    2-isopropoxyethanol 2204.5
    2,2,2-trifluoroethanol 2242.66
    methyl butyrate 3124.57

    Scent© AI

1 of 4
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