Isobornyl isovalerate

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  • Identifiers

    CAS number
    7779-73-9

    Molecular formula
    C15H26O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1520.0

  • Odor profile

    Herbal 86.25%
    Woody 82.08%
    Fruity 79.5%
    Pine 66.53%
    Balsamic 62.58%
    Camphoreous 59.14%
    Mint 53.91%
    Earthy 47.97%
    Spicy 46.58%
    Green 45.86%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.21 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    275°C

    Flash point est.
    104.09 ˚C

    Solubility expt.

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

  • Synonyms

    • Isobornyl isovalerate
    • BORNYL ISOVALERATE
    • 76-50-6
    • 7779-73-9
    • Bornyval
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
    • Isobornyl 3-methylbutanoate
    • 3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
    • 59672-05-8
    • SCHEMBL309489
    • DTXSID80873577
    • (-)-Bornyl isovalerate, >=97%
    • NS00012670
    • NS00113993
    • NS00113994
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate #
    • 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
    • 276885-74-6

  • Applications

    Isobornyl isovalerate (CAS 7779-73-9) is a high-boiling ester of isoborneol and isovaleric acid used chiefly as a fragrance ingredient and as a solvent/carrier and odor-profile modifier across consumer and technical products; with slow evaporation and a fresh woody–pine, slightly camphoraceous character with light fruity–balsamic nuances, it extends longevity, rounds and fixes accords, and aids solubilization/stability of delicate aroma chemicals in fine fragrances, body sprays, aftershaves, creams, shampoos, shower gels, and deodorants; in home and air care it imparts a clean, uplifting impression, masks off-odors, and improves substantivity on fabrics/surfaces when used in laundry detergents, fabric softeners, dishwashing liquids, hard-surface cleaners, scented candles, reed diffusers, and room sprays; its broad compatibility with alcohols, oils, and ester solvents enables use as a fragrance diluent and as a carrier for microencapsulated perfumes; in industrial settings it can serve as an odor-masking and note-balancing component in technical cleaners, metalworking fluids, and lubricants; typical use levels are about 0.1–5% depending on application and desired olfactive impact, with verification of formulation stability, material compatibility, and compliance with relevant regulations/standards (e.g., IFRA, REACH, GHS) recommended prior to commercialization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2294.87
    methanol 1816.57
    isopropanol 2797.15
    water 28.35
    ethyl acetate 3828.47
    n-propanol 2102.96
    acetone 4040.06
    n-butanol 1988.53
    acetonitrile 2721.87
    DMF 4454.27
    toluene 2342.17
    isobutanol 2070.21
    1,4-dioxane 6772.8
    methyl acetate 3418.54
    THF 6773.96
    2-butanone 3114.53
    n-pentanol 1250.4
    sec-butanol 2166.53
    n-hexane 374.44
    ethylene glycol 491.68
    NMP 2624.15
    cyclohexane 891.96
    DMSO 2033.58
    n-butyl acetate 2461.21
    n-octanol 917.95
    chloroform 8694.6
    n-propyl acetate 2085.7
    acetic acid 2285.3
    dichloromethane 5912.58
    cyclohexanone 3613.3
    propylene glycol 889.51
    isopropyl acetate 3305.75
    DMAc 3129.59
    2-ethoxyethanol 1959.02
    isopentanol 2092.23
    n-heptane 209.99
    ethyl formate 1951.73
    1,2-dichloroethane 3959.06
    n-hexanol 1784.93
    2-methoxyethanol 3142.14
    isobutyl acetate 1672.45
    tetrachloromethane 1785.24
    n-pentyl acetate 1427.83
    transcutol 5205.48
    n-heptanol 907.67
    ethylbenzene 1505.15
    MIBK 2117.21
    2-propoxyethanol 2961.17
    tert-butanol 3515.15
    MTBE 4117.75
    2-butoxyethanol 1671.61
    propionic acid 1717.12
    o-xylene 1558.86
    formic acid 917.95
    diethyl ether 2922.16
    m-xylene 1914.78
    p-xylene 2552.3
    chlorobenzene 3086.4
    dimethyl carbonate 1515.3
    n-octane 122.07
    formamide 1865.97
    cyclopentanone 3958.24
    2-pentanone 2632.82
    anisole 2673.41
    cyclopentyl methyl ether 2916.05
    gamma-butyrolactone 4466.81
    1-methoxy-2-propanol 3154.16
    pyridine 4110.52
    3-pentanone 1942.76
    furfural 3669.32
    n-dodecane 111.46
    diethylene glycol 1924.11
    diisopropyl ether 1522.21
    tert-amyl alcohol 2562.47
    acetylacetone 3881.6
    n-hexadecane 134.84
    acetophenone 1996.7
    methyl propionate 2486.28
    isopentyl acetate 2550.49
    trichloroethylene 7128.15
    n-nonanol 851.95
    cyclohexanol 2083.0
    benzyl alcohol 1602.43
    2-ethylhexanol 1058.79
    isooctanol 833.21
    dipropyl ether 1315.21
    1,2-dichlorobenzene 2736.51
    ethyl lactate 865.76
    propylene carbonate 3007.56
    n-methylformamide 2218.48
    2-pentanol 1752.58
    n-pentane 381.34
    1-propoxy-2-propanol 2085.69
    1-methoxy-2-propyl acetate 2792.25
    2-(2-methoxypropoxy) propanol 1611.38
    mesitylene 1371.65
    ε-caprolactone 3342.28
    p-cymene 726.1
    epichlorohydrin 5161.14
    1,1,1-trichloroethane 5454.29
    2-aminoethanol 1194.79
    morpholine-4-carbaldehyde 3842.34
    sulfolane 3077.57
    2,2,4-trimethylpentane 267.92
    2-methyltetrahydrofuran 4735.68
    n-hexyl acetate 2035.8
    isooctane 267.52
    2-(2-butoxyethoxy)ethanol 2092.35
    sec-butyl acetate 1864.58
    tert-butyl acetate 3307.92
    decalin 450.71
    glycerin 974.24
    diglyme 3872.36
    acrylic acid 1435.86
    isopropyl myristate 888.43
    n-butyric acid 2561.9
    acetyl acetate 2966.56
    di(2-ethylhexyl) phthalate 680.6
    ethyl propionate 1936.02
    nitromethane 4182.93
    1,2-diethoxyethane 2449.44
    benzonitrile 2441.75
    trioctyl phosphate 510.01
    1-bromopropane 2233.54
    gamma-valerolactone 5141.39
    n-decanol 631.06
    triethyl phosphate 757.39
    4-methyl-2-pentanol 1327.68
    propionitrile 2232.23
    vinylene carbonate 2807.84
    1,1,2-trichlorotrifluoroethane 3027.08
    DMS 2052.9
    cumene 1048.38
    2-octanol 737.65
    2-hexanone 1811.67
    octyl acetate 1049.55
    limonene 853.41
    1,2-dimethoxyethane 3879.69
    ethyl orthosilicate 773.11
    tributyl phosphate 666.04
    diacetone alcohol 2450.06
    N,N-dimethylaniline 1559.7
    acrylonitrile 2459.84
    aniline 2452.03
    1,3-propanediol 1855.77
    bromobenzene 3221.42
    dibromomethane 3822.31
    1,1,2,2-tetrachloroethane 6422.32
    2-methyl-cyclohexyl acetate 1338.01
    tetrabutyl urea 720.33
    diisobutyl methanol 723.23
    2-phenylethanol 1934.86
    styrene 1767.58
    dioctyl adipate 1046.01
    dimethyl sulfate 1786.32
    ethyl butyrate 1649.91
    methyl lactate 1205.76
    butyl lactate 1080.86
    diethyl carbonate 1231.04
    propanediol butyl ether 1327.12
    triethyl orthoformate 1206.59
    p-tert-butyltoluene 755.13
    methyl 4-tert-butylbenzoate 1558.94
    morpholine 6033.42
    tert-butylamine 2561.5
    n-dodecanol 494.07
    dimethoxymethane 3312.93
    ethylene carbonate 2565.17
    cyrene 1110.94
    2-ethoxyethyl acetate 1907.56
    2-ethylhexyl acetate 1858.2
    1,2,4-trichlorobenzene 3000.27
    4-methylpyridine 4475.17
    dibutyl ether 1177.02
    2,6-dimethyl-4-heptanol 723.23
    DEF 2438.07
    dimethyl isosorbide 2568.45
    tetrachloroethylene 4130.55
    eugenol 1450.51
    triacetin 1660.78
    span 80 1332.66
    1,4-butanediol 711.77
    1,1-dichloroethane 4954.84
    2-methyl-1-pentanol 1243.8
    methyl formate 1859.7
    2-methyl-1-butanol 1735.6
    n-decane 181.67
    butyronitrile 2301.2
    3,7-dimethyl-1-octanol 1033.77
    1-chlorooctane 693.59
    1-chlorotetradecane 321.12
    n-nonane 162.75
    undecane 137.33
    tert-butylcyclohexane 408.74
    cyclooctane 335.81
    cyclopentanol 2311.0
    tetrahydropyran 5123.6
    tert-amyl methyl ether 2276.48
    2,5,8-trioxanonane 2443.43
    1-hexene 1022.66
    2-isopropoxyethanol 1568.93
    2,2,2-trifluoroethanol 1362.08
    methyl butyrate 2331.3

    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
Strobilanthes auriculatus Strobilanthes auriculatus, fam. Acanthaceae 1.5%