Isobornyl 2-methylbutyrate

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  • Identifiers

    CAS number
    94200-10-9

    Molecular formula
    C15H26O2

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

  • Odor profile

    Fragrance
    Woody 83.92%
    Herbal 76.89%
    Fruity 69.38%
    Pine 58.09%
    Balsamic 52.96%
    Camphoreous 51.2%
    Earthy 45.41%
    Spicy 40.92%
    Cedar 40.91%
    Mint 37.69%

     

    Flavor
    Woody 52.73%
    Herbal 42.07%
    Camphor 38.89%
    Green 36.23%
    Pine 34.13%
    Balsam 28.61%
    Bitter 27.12%
    Sweet 25.35%
    Fruit 25.06%
    Earth 23.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.44 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 106.89 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Bornyl 2-methylbutyrate
    • Isobornyl 2-methylbutyrate
    • 94200-10-9
    • EINECS 303-487-0
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
    • 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 2-METHYLBUTANOATE
    • 1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl 2-methylbutanoate
    • (1,7,7-trimethyl-2-bicyclo(2.2.1)heptanyl) 2-methylbutanoate
    • Bornyl 2-methylbutanoate
    • isobornyl-2-methylbutanoate
    • Isobornyl 2-methyl butyrate
    • SCHEMBL786210
    • DTXSID70869207
    • AKOS019032841
    • NS00120661
    • Q67879740
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate

  • Applications

    Isobornyl 2-methylbutyrate (CAS 94200-10-9) is an aroma-related ester used primarily in perfumery as an odorant and fixative, helping to stabilize and extend fragrance profiles. It is commonly incorporated into cosmetics and personal care formulations to impart a woody, balsamic scent; likewise, it serves as a fragrance additive in household products such as air fresheners and cleaners. In coatings and inks, it can function as a fragrance component, adding scent to finished products without compromising performance. The compound can be used as an intermediate in fragrance synthesis, enabling the construction of related aroma chemicals. Depending on local regulations, it may be selected for specific formulation needs in these domains, subject to restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2701.86
    methanol 2375.07
    isopropanol 3191.79
    water 40.39
    ethyl acetate 4800.63
    n-propanol 2402.5
    acetone 4541.85
    n-butanol 2254.38
    acetonitrile 3154.76
    DMF 5015.9
    toluene 3115.31
    isobutanol 2295.41
    1,4-dioxane 8460.95
    methyl acetate 4049.6
    THF 6677.73
    2-butanone 3772.81
    n-pentanol 1524.94
    sec-butanol 2515.11
    n-hexane 426.15
    ethylene glycol 448.73
    NMP 2594.95
    cyclohexane 1093.46
    DMSO 1907.47
    n-butyl acetate 2887.0
    n-octanol 936.11
    chloroform 9665.86
    n-propyl acetate 2597.28
    acetic acid 2411.93
    dichloromethane 6865.8
    cyclohexanone 4239.73
    propylene glycol 718.75
    isopropyl acetate 4001.24
    DMAc 3737.8
    2-ethoxyethanol 2370.48
    isopentanol 2439.66
    n-heptane 218.09
    ethyl formate 2547.04
    1,2-dichloroethane 4340.71
    n-hexanol 1914.43
    2-methoxyethanol 3565.13
    isobutyl acetate 2057.95
    tetrachloromethane 2327.33
    n-pentyl acetate 1699.64
    transcutol 6153.5
    n-heptanol 1031.39
    ethylbenzene 2053.33
    MIBK 2561.55
    2-propoxyethanol 3051.06
    tert-butanol 3913.96
    MTBE 4968.6
    2-butoxyethanol 1992.24
    propionic acid 1860.89
    o-xylene 2049.88
    formic acid 1033.02
    diethyl ether 3748.99
    m-xylene 2273.41
    p-xylene 3582.15
    chlorobenzene 3697.94
    dimethyl carbonate 1634.3
    n-octane 125.71
    formamide 2421.1
    cyclopentanone 4031.02
    2-pentanone 3010.01
    anisole 3572.37
    cyclopentyl methyl ether 2952.29
    gamma-butyrolactone 4403.73
    1-methoxy-2-propanol 3067.87
    pyridine 5322.21
    3-pentanone 2328.04
    furfural 4273.99
    n-dodecane 105.82
    diethylene glycol 1784.41
    diisopropyl ether 1776.9
    tert-amyl alcohol 2852.09
    acetylacetone 4476.06
    n-hexadecane 129.19
    acetophenone 2706.56
    methyl propionate 2827.56
    isopentyl acetate 3061.08
    trichloroethylene 8152.37
    n-nonanol 922.97
    cyclohexanol 2212.2
    benzyl alcohol 2139.66
    2-ethylhexanol 1137.26
    isooctanol 992.74
    dipropyl ether 1386.04
    1,2-dichlorobenzene 3434.56
    ethyl lactate 899.07
    propylene carbonate 3050.56
    n-methylformamide 2650.35
    2-pentanol 1914.54
    n-pentane 440.52
    1-propoxy-2-propanol 1996.88
    1-methoxy-2-propyl acetate 3031.45
    2-(2-methoxypropoxy) propanol 1689.61
    mesitylene 1633.51
    ε-caprolactone 3905.85
    p-cymene 894.78
    epichlorohydrin 5078.65
    1,1,1-trichloroethane 6295.1
    2-aminoethanol 1215.02
    morpholine-4-carbaldehyde 4257.52
    sulfolane 2782.22
    2,2,4-trimethylpentane 319.66
    2-methyltetrahydrofuran 4986.47
    n-hexyl acetate 2310.11
    isooctane 308.55
    2-(2-butoxyethoxy)ethanol 2241.82
    sec-butyl acetate 2373.75
    tert-butyl acetate 3841.49
    decalin 539.48
    glycerin 811.27
    diglyme 4640.72
    acrylic acid 1530.59
    isopropyl myristate 963.47
    n-butyric acid 2972.41
    acetyl acetate 3694.8
    di(2-ethylhexyl) phthalate 763.5
    ethyl propionate 2360.06
    nitromethane 4825.09
    1,2-diethoxyethane 3222.66
    benzonitrile 3300.82
    trioctyl phosphate 532.66
    1-bromopropane 2499.02
    gamma-valerolactone 5807.65
    n-decanol 670.6
    triethyl phosphate 874.56
    4-methyl-2-pentanol 1474.2
    propionitrile 2663.25
    vinylene carbonate 3306.79
    1,1,2-trichlorotrifluoroethane 2966.05
    DMS 2309.13
    cumene 1374.55
    2-octanol 792.74
    2-hexanone 2317.37
    octyl acetate 1102.09
    limonene 1003.28
    1,2-dimethoxyethane 5038.8
    ethyl orthosilicate 914.24
    tributyl phosphate 695.56
    diacetone alcohol 2557.38
    N,N-dimethylaniline 2089.21
    acrylonitrile 2960.22
    aniline 3077.51
    1,3-propanediol 1906.07
    bromobenzene 3962.12
    dibromomethane 4403.73
    1,1,2,2-tetrachloroethane 6814.48
    2-methyl-cyclohexyl acetate 1540.02
    tetrabutyl urea 753.76
    diisobutyl methanol 794.45
    2-phenylethanol 2312.23
    styrene 2415.38
    dioctyl adipate 1126.71
    dimethyl sulfate 1775.05
    ethyl butyrate 2043.69
    methyl lactate 1123.25
    butyl lactate 1167.07
    diethyl carbonate 1550.59
    propanediol butyl ether 1325.71
    triethyl orthoformate 1426.0
    p-tert-butyltoluene 947.62
    methyl 4-tert-butylbenzoate 1841.7
    morpholine 7236.52
    tert-butylamine 2936.72
    n-dodecanol 505.24
    dimethoxymethane 3665.16
    ethylene carbonate 2920.77
    cyrene 1195.31
    2-ethoxyethyl acetate 2405.64
    2-ethylhexyl acetate 2258.08
    1,2,4-trichlorobenzene 3660.83
    4-methylpyridine 5895.86
    dibutyl ether 1352.21
    2,6-dimethyl-4-heptanol 794.45
    DEF 2994.43
    dimethyl isosorbide 2668.85
    tetrachloroethylene 4914.59
    eugenol 1702.26
    triacetin 1919.94
    span 80 1278.68
    1,4-butanediol 718.33
    1,1-dichloroethane 5451.11
    2-methyl-1-pentanol 1627.36
    methyl formate 2086.03
    2-methyl-1-butanol 2046.23
    n-decane 178.15
    butyronitrile 2805.53
    3,7-dimethyl-1-octanol 1150.92
    1-chlorooctane 700.11
    1-chlorotetradecane 322.49
    n-nonane 159.32
    undecane 130.25
    tert-butylcyclohexane 483.98
    cyclooctane 389.15
    cyclopentanol 2181.59
    tetrahydropyran 6023.9
    tert-amyl methyl ether 2638.15
    2,5,8-trioxanonane 2802.67
    1-hexene 1209.21
    2-isopropoxyethanol 1794.13
    2,2,2-trifluoroethanol 1406.11
    methyl butyrate 2881.71

    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