Bornyl butyrate

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  • Identifiers

    CAS number
    13109-70-1

    Molecular formula
    C14H24O2

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

    Retention indicies (RI)

    • Carbowax: 1760.0

  • Odor profile

    Fruity 89.14%
    Woody 83.68%
    Herbal 83.54%
    Pine 62.92%
    Balsamic 56.1%
    Camphoreous 55.08%
    Mint 46.58%
    Spicy 46.4%
    Earthy 45.55%
    Cedar 39.64%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 120.00 to 121.00 °C. @ 10.00 mm Hg

    Flash point est.
    103.79 ˚C

    Solubility expt.

    • slightly

  • Synonyms

    • Bornyl butyrate
    • Bornyl butanoate
    • Borneol, butyrate
    • Butyric acid, 2-bornyl ester
    • Bornyl ester of n-butanoic acid
    • 13109-70-1
    • 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate
    • 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butyrate
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
    • Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
    • bornylbutyrat
    • 58479-55-3
    • SCHEMBL310464
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate
    • FEMA 3907
    • DTXSID80864364
    • CHEBI:171780
    • Butyric acid, 2-bornyl ester (8CI)
    • DB-254095
    • NS00038973
    • NS00086339
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate #
    • butyric acid 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester

  • Applications

    Bornyl butyrate (CAS 13109-70-1) is a flavor and fragrance ester with fruity (pineapple/pear) and fresh conifer–camphor nuances, widely used in perfumery for fine fragrances, soaps, shampoos, detergents, and deodorants to boost diffusion and round out citrus, tropical-fruit, and pine/resin accords; it is also used at very low levels as a food flavoring for beverages, confectionery, chewing gum, syrups, and pineapple–apple profiles to add juicy fruity–woody facets, and is useful in candles, wax melts, and air-care diffusers to provide lasting background notes and odor masking, blending well with terpenes, esters, and lactones in flavor–fragrance formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2244.63
    methanol 2119.24
    isopropanol 2825.01
    water 33.44
    ethyl acetate 3549.45
    n-propanol 2012.77
    acetone 3757.4
    n-butanol 1894.13
    acetonitrile 2930.68
    DMF 4477.09
    toluene 2219.3
    isobutanol 1930.52
    1,4-dioxane 6701.96
    methyl acetate 3224.46
    THF 5663.18
    2-butanone 2924.02
    n-pentanol 1125.4
    sec-butanol 2005.02
    n-hexane 211.29
    ethylene glycol 472.91
    NMP 2113.54
    cyclohexane 674.97
    DMSO 1865.26
    n-butyl acetate 2013.49
    n-octanol 662.03
    chloroform 8252.88
    n-propyl acetate 1836.38
    acetic acid 1872.74
    dichloromethane 5878.9
    cyclohexanone 3294.11
    propylene glycol 773.31
    isopropyl acetate 2875.18
    DMAc 3007.39
    2-ethoxyethanol 1821.9
    isopentanol 1863.68
    n-heptane 122.58
    ethyl formate 2037.94
    1,2-dichloroethane 3656.52
    n-hexanol 1414.06
    2-methoxyethanol 3170.48
    isobutyl acetate 1427.83
    tetrachloromethane 1668.46
    n-pentyl acetate 1138.06
    transcutol 4350.34
    n-heptanol 694.55
    ethylbenzene 1314.07
    MIBK 1805.04
    2-propoxyethanol 2462.15
    tert-butanol 3330.93
    MTBE 3641.82
    2-butoxyethanol 1439.37
    propionic acid 1534.68
    o-xylene 1399.7
    formic acid 819.59
    diethyl ether 2581.11
    m-xylene 1577.44
    p-xylene 2399.2
    chlorobenzene 2752.22
    dimethyl carbonate 1344.64
    n-octane 72.04
    formamide 1902.37
    cyclopentanone 3540.41
    2-pentanone 2199.63
    anisole 2537.58
    cyclopentyl methyl ether 2192.59
    gamma-butyrolactone 3912.45
    1-methoxy-2-propanol 2758.68
    pyridine 4179.0
    3-pentanone 1699.32
    furfural 3531.97
    n-dodecane 70.19
    diethylene glycol 1619.84
    diisopropyl ether 1133.65
    tert-amyl alcohol 2211.54
    acetylacetone 3443.47
    n-hexadecane 85.44
    acetophenone 1868.9
    methyl propionate 2197.4
    isopentyl acetate 2035.9
    trichloroethylene 6665.32
    n-nonanol 624.44
    cyclohexanol 1743.96
    benzyl alcohol 1569.15
    2-ethylhexanol 774.61
    isooctanol 647.39
    dipropyl ether 920.33
    1,2-dichlorobenzene 2458.04
    ethyl lactate 710.55
    propylene carbonate 2618.97
    n-methylformamide 2333.9
    2-pentanol 1463.8
    n-pentane 254.6
    1-propoxy-2-propanol 1636.36
    1-methoxy-2-propyl acetate 2172.74
    2-(2-methoxypropoxy) propanol 1229.19
    mesitylene 1115.24
    ε-caprolactone 2936.82
    p-cymene 564.66
    epichlorohydrin 4336.52
    1,1,1-trichloroethane 4965.89
    2-aminoethanol 1166.84
    morpholine-4-carbaldehyde 3399.02
    sulfolane 2481.47
    2,2,4-trimethylpentane 180.53
    2-methyltetrahydrofuran 3856.17
    n-hexyl acetate 1582.02
    isooctane 174.67
    2-(2-butoxyethoxy)ethanol 1648.89
    sec-butyl acetate 1570.13
    tert-butyl acetate 2696.94
    decalin 307.79
    glycerin 860.29
    diglyme 3329.08
    acrylic acid 1296.68
    isopropyl myristate 661.18
    n-butyric acid 2377.36
    acetyl acetate 2719.27
    di(2-ethylhexyl) phthalate 543.19
    ethyl propionate 1683.68
    nitromethane 3999.58
    1,2-diethoxyethane 2065.92
    benzonitrile 2597.03
    trioctyl phosphate 384.04
    1-bromopropane 1924.02
    gamma-valerolactone 4777.01
    n-decanol 464.47
    triethyl phosphate 594.99
    4-methyl-2-pentanol 1070.8
    propionitrile 2404.87
    vinylene carbonate 2738.17
    1,1,2-trichlorotrifluoroethane 2509.97
    DMS 1704.91
    cumene 869.89
    2-octanol 542.38
    2-hexanone 1633.58
    octyl acetate 771.08
    limonene 656.31
    1,2-dimethoxyethane 3755.21
    ethyl orthosilicate 607.65
    tributyl phosphate 506.21
    diacetone alcohol 1941.07
    N,N-dimethylaniline 1418.93
    acrylonitrile 2702.08
    aniline 2409.74
    1,3-propanediol 1786.46
    bromobenzene 2932.54
    dibromomethane 3540.43
    1,1,2,2-tetrachloroethane 5562.52
    2-methyl-cyclohexyl acetate 1024.86
    tetrabutyl urea 551.48
    diisobutyl methanol 527.57
    2-phenylethanol 1641.16
    styrene 1603.72
    dioctyl adipate 800.86
    dimethyl sulfate 1525.25
    ethyl butyrate 1347.63
    methyl lactate 1046.82
    butyl lactate 851.82
    diethyl carbonate 1048.08
    propanediol butyl ether 1051.32
    triethyl orthoformate 932.94
    p-tert-butyltoluene 594.2
    methyl 4-tert-butylbenzoate 1298.61
    morpholine 5845.15
    tert-butylamine 2332.89
    n-dodecanol 360.49
    dimethoxymethane 3114.74
    ethylene carbonate 2447.48
    cyrene 942.71
    2-ethoxyethyl acetate 1614.17
    2-ethylhexyl acetate 1465.09
    1,2,4-trichlorobenzene 2714.3
    4-methylpyridine 4341.78
    dibutyl ether 860.1
    2,6-dimethyl-4-heptanol 527.57
    DEF 2225.68
    dimethyl isosorbide 1968.96
    tetrachloroethylene 3801.92
    eugenol 1241.77
    triacetin 1367.05
    span 80 981.73
    1,4-butanediol 651.46
    1,1-dichloroethane 4599.46
    2-methyl-1-pentanol 1073.3
    methyl formate 1879.89
    2-methyl-1-butanol 1528.28
    n-decane 112.43
    butyronitrile 2312.6
    3,7-dimethyl-1-octanol 760.0
    1-chlorooctane 480.68
    1-chlorotetradecane 227.31
    n-nonane 97.77
    undecane 85.62
    tert-butylcyclohexane 271.24
    cyclooctane 215.73
    cyclopentanol 1984.51
    tetrahydropyran 4641.63
    tert-amyl methyl ether 1849.82
    2,5,8-trioxanonane 2019.54
    1-hexene 714.73
    2-isopropoxyethanol 1369.3
    2,2,2-trifluoroethanol 1138.52
    methyl butyrate 2106.95

    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

Botanical

Name CAS Botanical Proportion
Chamomile, wild (Morocco) Ormenis mixta, fam. Asteraceae (Compositae) 1.3%
Lemon verbena (Morocco) 1 Aloysia triphylla (L'Herit.) Britton (Lippia citriodora (Lam.) O. Kuntze) 0.4%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%