2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate

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  • Identifiers

    CAS number
    94386-39-7

    Molecular formula
    C15H24O2

    SMILES
    CC1=CCC(CC1OC(=O)CC(C)C)C(=C)C

  • Odor profile

    Fragrance
    Fruity 91.02%
    Herbal 81.84%
    Mint 71.7%
    Sweet 70.2%
    Spicy 48.39%
    Cooling 38.4%
    Camphoreous 32.15%
    Woody 30.64%
    Apple 30.15%
    Warm 30.01%

     

    Flavor
    Herbal 40.78%
    Minty 39.92%
    Mint 28.17%
    Fresh 25.16%
    Fruity 24.19%
    Floral 24.16%
    Woody 23.81%
    Tropical 23.76%
    Spice 23.67%
    Spicy 22.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.69 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 119.83 ˚C est.

  • Synonyms

    • Carvyl-3-methylbutyrate
    • 94386-39-7
    • (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate
    • Carvyl isovalerate
    • EINECS 305-261-7
    • UNII-38IM3837JJ
    • SCHEMBL19919442
    • 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
    • DTXSID00869235
    • GGESQBHSIRCDBW-UHFFFAOYSA-N
    • 38IM3837JJ
    • 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl 3-methylbutanoate
    • NS00066686

  • Applications

    2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate (CAS 94386-39-7) is commonly used in fragrance and cosmetic applications, delivering a green–herbal aroma with moderate longevity and serving as an aroma ingredient and, in some formulations, as a fixative. Typical uses include perfumes and personal care products (creams, shampoos, lotions); household and cleaning products (soaps, surface cleaners) as a fragrance component; flavor applications for foods and beverages within regulatory limits or in the context of synthetic flavors; and use in coatings/inks and other consumer products where odor enhancement is desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2199.6
    methanol 1802.26
    isopropanol 2307.47
    water 0.59
    ethyl acetate 1263.94
    n-propanol 1828.95
    acetone 1356.03
    n-butanol 1991.8
    acetonitrile 864.51
    DMF 1665.3
    toluene 987.29
    isobutanol 1597.5
    1,4-dioxane 2708.28
    methyl acetate 914.2
    THF 2921.79
    2-butanone 1278.45
    n-pentanol 1333.12
    sec-butanol 2161.85
    n-hexane 375.54
    ethylene glycol 139.64
    NMP 1116.72
    cyclohexane 457.69
    DMSO 950.61
    n-butyl acetate 1235.41
    n-octanol 571.0
    chloroform 3753.55
    n-propyl acetate 777.26
    acetic acid 1125.57
    dichloromethane 2463.58
    cyclohexanone 1795.82
    propylene glycol 441.31
    isopropyl acetate 1103.28
    DMAc 1446.76
    2-ethoxyethanol 993.96
    isopentanol 1964.02
    n-heptane 106.2
    ethyl formate 631.69
    1,2-dichloroethane 1711.56
    n-hexanol 1737.73
    2-methoxyethanol 1452.13
    isobutyl acetate 593.57
    tetrachloromethane 480.36
    n-pentyl acetate 626.82
    transcutol 3656.0
    n-heptanol 583.8
    ethylbenzene 577.82
    MIBK 873.95
    2-propoxyethanol 1652.91
    tert-butanol 2776.4
    MTBE 2319.9
    2-butoxyethanol 848.14
    propionic acid 721.94
    o-xylene 556.11
    formic acid 261.64
    diethyl ether 1640.39
    m-xylene 665.01
    p-xylene 713.03
    chlorobenzene 994.39
    dimethyl carbonate 281.55
    n-octane 49.65
    formamide 354.91
    cyclopentanone 1354.87
    2-pentanone 1127.26
    anisole 875.66
    cyclopentyl methyl ether 1319.79
    gamma-butyrolactone 1228.09
    1-methoxy-2-propanol 1495.09
    pyridine 1561.44
    3-pentanone 726.43
    furfural 1084.61
    n-dodecane 38.21
    diethylene glycol 845.4
    diisopropyl ether 596.56
    tert-amyl alcohol 2217.55
    acetylacetone 1005.22
    n-hexadecane 45.29
    acetophenone 646.07
    methyl propionate 701.75
    isopentyl acetate 1306.06
    trichloroethylene 2950.22
    n-nonanol 498.99
    cyclohexanol 1679.13
    benzyl alcohol 729.66
    2-ethylhexanol 799.43
    isooctanol 503.34
    dipropyl ether 682.96
    1,2-dichlorobenzene 847.57
    ethyl lactate 332.13
    propylene carbonate 854.36
    n-methylformamide 575.22
    2-pentanol 1618.87
    n-pentane 273.16
    1-propoxy-2-propanol 1316.31
    1-methoxy-2-propyl acetate 1037.09
    2-(2-methoxypropoxy) propanol 814.03
    mesitylene 404.79
    ε-caprolactone 1476.31
    p-cymene 293.22
    epichlorohydrin 1966.03
    1,1,1-trichloroethane 1799.44
    2-aminoethanol 525.12
    morpholine-4-carbaldehyde 1457.15
    sulfolane 1000.27
    2,2,4-trimethylpentane 149.0
    2-methyltetrahydrofuran 2501.56
    n-hexyl acetate 984.65
    isooctane 127.9
    2-(2-butoxyethoxy)ethanol 1243.07
    sec-butyl acetate 697.23
    tert-butyl acetate 1105.54
    decalin 201.36
    glycerin 425.36
    diglyme 1773.72
    acrylic acid 476.24
    isopropyl myristate 359.28
    n-butyric acid 1480.53
    acetyl acetate 687.68
    di(2-ethylhexyl) phthalate 330.32
    ethyl propionate 651.63
    nitromethane 1066.27
    1,2-diethoxyethane 1349.62
    benzonitrile 854.87
    trioctyl phosphate 233.89
    1-bromopropane 1309.69
    gamma-valerolactone 1827.07
    n-decanol 362.34
    triethyl phosphate 271.61
    4-methyl-2-pentanol 964.05
    propionitrile 827.47
    vinylene carbonate 724.57
    1,1,2-trichlorotrifluoroethane 1174.6
    DMS 561.33
    cumene 381.29
    2-octanol 451.81
    2-hexanone 892.88
    octyl acetate 457.27
    limonene 452.28
    1,2-dimethoxyethane 1743.29
    ethyl orthosilicate 299.48
    tributyl phosphate 304.83
    diacetone alcohol 1161.82
    N,N-dimethylaniline 562.98
    acrylonitrile 698.36
    aniline 1028.8
    1,3-propanediol 1041.35
    bromobenzene 1062.9
    dibromomethane 1818.55
    1,1,2,2-tetrachloroethane 2852.93
    2-methyl-cyclohexyl acetate 556.34
    tetrabutyl urea 349.18
    diisobutyl methanol 413.06
    2-phenylethanol 866.73
    styrene 655.07
    dioctyl adipate 441.11
    dimethyl sulfate 331.52
    ethyl butyrate 642.73
    methyl lactate 368.53
    butyl lactate 539.88
    diethyl carbonate 412.81
    propanediol butyl ether 901.54
    triethyl orthoformate 466.9
    p-tert-butyltoluene 281.3
    methyl 4-tert-butylbenzoate 578.85
    morpholine 3349.27
    tert-butylamine 1852.07
    n-dodecanol 264.61
    dimethoxymethane 959.61
    ethylene carbonate 698.39
    cyrene 522.49
    2-ethoxyethyl acetate 791.59
    2-ethylhexyl acetate 943.62
    1,2,4-trichlorobenzene 966.23
    4-methylpyridine 1863.09
    dibutyl ether 708.36
    2,6-dimethyl-4-heptanol 413.06
    DEF 1155.23
    dimethyl isosorbide 1054.95
    tetrachloroethylene 1581.1
    eugenol 609.31
    triacetin 655.14
    span 80 744.04
    1,4-butanediol 392.19
    1,1-dichloroethane 2096.61
    2-methyl-1-pentanol 1340.39
    methyl formate 394.76
    2-methyl-1-butanol 1694.75
    n-decane 72.05
    butyronitrile 1235.72
    3,7-dimethyl-1-octanol 701.73
    1-chlorooctane 347.07
    1-chlorotetradecane 131.59
    n-nonane 68.21
    undecane 50.16
    tert-butylcyclohexane 186.07
    cyclooctane 129.81
    cyclopentanol 1280.02
    tetrahydropyran 3153.52
    tert-amyl methyl ether 1392.62
    2,5,8-trioxanonane 1117.96
    1-hexene 1054.8
    2-isopropoxyethanol 827.66
    2,2,2-trifluoroethanol 276.81
    methyl butyrate 868.09

    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