Eugenol isovalerate

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  • Identifiers

    CAS number
    61114-24-7

    Molecular formula
    C15H20O3

    SMILES
    CC(C)CC(=O)OC1=C(C=C(C=C1)CC=C)OC

  • Odor profile

    Fruity 77.9%
    Spicy 67.31%
    Woody 62.29%
    Sweet 55.8%
    Herbal 54.65%
    Balsamic 40.07%
    Warm 39.34%
    Clove 37.77%
    Dry 33.81%
    Phenolic 31.37%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 85.00 °C. @ 760.00 mm Hg

    Boiling point

    • 221.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point est.
    131.13 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Eugenyl isovalerate
    • Eugenol isovalerate
    • 61114-24-7
    • 4-Allyl-2-methoxyphenyl isovalerate
    • (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate
    • FBC808249X
    • EINECS 262-613-1
    • UNII-FBC808249X
    • FEMA NO. 4118
    • DTXSID80210004
    • EUGENYL ISOVALERATE [FHFI]
    • Butanoic acid, 3-methyl-, 2-methoxy-4-(2-propenyl)phenyl ester
    • 2-methoxy-4-(prop-2-en-1-yl)phenyl 3-methylbutanoate
    • BUTANOIC ACID, 3-METHYL-, 2-METHOXY-4-(2-PROPEN-1-YL)PHENYL ESTER
    • SCHEMBL891511
    • DTXCID40132495
    • AKOS030571664
    • DB-218710
    • NS00022492
    • Q27277902
    • Z28076676

  • Applications

    Eugenol isovalerate (CAS 61114-24-7), also known as eugenyl isovalerate, is a flavor–fragrance ester with a clove-spicy core rounded by fruity, sweet balsamic and woody nuances, used widely as a note modifier and fixative in fine fragrance, cosmetics, soaps, candles, household cleaners and air-care; in foods and beverages it is dosed at trace levels to reinforce clove, vanilla, chocolate, caramel and warm-spice profiles, add subtle tropical-fruit facets and mask off-notes; it also appears in tobacco flavoring to enrich spicy–tobacco accords; formulation-wise, esterification reduces irritancy and improves oxidative stability versus free eugenol, with good solubility in ethanol, oils and perfume bases but poor water solubility, and it can slowly hydrolyze (especially under alkaline conditions) to release eugenol; it is further used as an intermediate for aroma chemicals and in slow-release or encapsulation research for flavor and fragrance, with use subject to local regulations and applicable IFRA/food-flavor guidance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1722.67
    methanol 1802.43
    isopropanol 1070.08
    water 0.3
    ethyl acetate 1959.03
    n-propanol 1444.66
    acetone 2584.85
    n-butanol 1331.77
    acetonitrile 1667.45
    DMF 2717.31
    toluene 740.02
    isobutanol 1071.27
    1,4-dioxane 1487.33
    methyl acetate 1499.44
    THF 2345.38
    2-butanone 1849.28
    n-pentanol 727.53
    sec-butanol 1215.95
    n-hexane 93.54
    ethylene glycol 233.48
    NMP 2040.27
    cyclohexane 199.51
    DMSO 2431.96
    n-butyl acetate 961.14
    n-octanol 231.35
    chloroform 4108.3
    n-propyl acetate 771.29
    acetic acid 1815.59
    dichloromethane 3929.95
    cyclohexanone 2459.52
    propylene glycol 463.62
    isopropyl acetate 921.13
    DMAc 1872.94
    2-ethoxyethanol 895.87
    isopentanol 983.6
    n-heptane 29.17
    ethyl formate 955.4
    1,2-dichloroethane 3173.19
    n-hexanol 727.96
    2-methoxyethanol 1858.89
    isobutyl acetate 427.33
    tetrachloromethane 345.09
    n-pentyl acetate 430.21
    transcutol 2379.86
    n-heptanol 226.72
    ethylbenzene 324.07
    MIBK 771.49
    2-propoxyethanol 1045.61
    tert-butanol 1147.65
    MTBE 1013.85
    2-butoxyethanol 464.3
    propionic acid 1066.27
    o-xylene 359.73
    formic acid 479.39
    diethyl ether 1273.09
    m-xylene 432.04
    p-xylene 388.77
    chlorobenzene 1334.52
    dimethyl carbonate 608.76
    n-octane 15.76
    formamide 884.83
    cyclopentanone 2404.31
    2-pentanone 1714.8
    anisole 707.39
    cyclopentyl methyl ether 1273.62
    gamma-butyrolactone 2191.37
    1-methoxy-2-propanol 1321.05
    pyridine 1755.77
    3-pentanone 1126.78
    furfural 1695.6
    n-dodecane 13.46
    diethylene glycol 766.67
    diisopropyl ether 305.19
    tert-amyl alcohol 1056.01
    acetylacetone 1539.15
    n-hexadecane 16.17
    acetophenone 669.96
    methyl propionate 1386.87
    isopentyl acetate 805.29
    trichloroethylene 5412.2
    n-nonanol 198.8
    cyclohexanol 1270.81
    benzyl alcohol 649.57
    2-ethylhexanol 365.39
    isooctanol 190.34
    dipropyl ether 312.12
    1,2-dichlorobenzene 1023.89
    ethyl lactate 340.89
    propylene carbonate 1258.97
    n-methylformamide 1287.42
    2-pentanol 894.12
    n-pentane 92.75
    1-propoxy-2-propanol 663.6
    1-methoxy-2-propyl acetate 812.01
    2-(2-methoxypropoxy) propanol 451.9
    mesitylene 231.2
    ε-caprolactone 1703.33
    p-cymene 159.29
    epichlorohydrin 3270.74
    1,1,1-trichloroethane 2301.2
    2-aminoethanol 598.47
    morpholine-4-carbaldehyde 1559.84
    sulfolane 2247.43
    2,2,4-trimethylpentane 55.93
    2-methyltetrahydrofuran 1804.65
    n-hexyl acetate 641.62
    isooctane 38.68
    2-(2-butoxyethoxy)ethanol 711.16
    sec-butyl acetate 516.78
    tert-butyl acetate 872.25
    decalin 84.45
    glycerin 516.16
    diglyme 1241.16
    acrylic acid 919.98
    isopropyl myristate 205.03
    n-butyric acid 1671.82
    acetyl acetate 1013.97
    di(2-ethylhexyl) phthalate 207.73
    ethyl propionate 661.32
    nitromethane 2799.81
    1,2-diethoxyethane 739.7
    benzonitrile 841.82
    trioctyl phosphate 149.53
    1-bromopropane 1477.71
    gamma-valerolactone 2402.79
    n-decanol 139.31
    triethyl phosphate 230.55
    4-methyl-2-pentanol 373.23
    propionitrile 1131.66
    vinylene carbonate 1142.16
    1,1,2-trichlorotrifluoroethane 1782.68
    DMS 619.24
    cumene 195.75
    2-octanol 165.93
    2-hexanone 798.26
    octyl acetate 277.3
    limonene 262.37
    1,2-dimethoxyethane 1288.11
    ethyl orthosilicate 216.63
    tributyl phosphate 209.31
    diacetone alcohol 983.98
    N,N-dimethylaniline 392.86
    acrylonitrile 1407.58
    aniline 954.39
    1,3-propanediol 971.86
    bromobenzene 1383.17
    dibromomethane 2604.55
    1,1,2,2-tetrachloroethane 4396.25
    2-methyl-cyclohexyl acetate 404.4
    tetrabutyl urea 253.53
    diisobutyl methanol 183.39
    2-phenylethanol 599.4
    styrene 458.97
    dioctyl adipate 304.82
    dimethyl sulfate 805.87
    ethyl butyrate 507.93
    methyl lactate 564.76
    butyl lactate 373.73
    diethyl carbonate 357.38
    propanediol butyl ether 490.37
    triethyl orthoformate 315.82
    p-tert-butyltoluene 147.47
    methyl 4-tert-butylbenzoate 389.39
    morpholine 2235.1
    tert-butylamine 645.96
    n-dodecanol 104.25
    dimethoxymethane 1374.79
    ethylene carbonate 991.28
    cyrene 456.05
    2-ethoxyethyl acetate 651.29
    2-ethylhexyl acetate 586.61
    1,2,4-trichlorobenzene 1171.62
    4-methylpyridine 1929.19
    dibutyl ether 316.57
    2,6-dimethyl-4-heptanol 183.39
    DEF 1561.88
    dimethyl isosorbide 762.12
    tetrachloroethylene 2261.59
    eugenol 419.01
    triacetin 508.31
    span 80 385.76
    1,4-butanediol 330.46
    1,1-dichloroethane 2957.98
    2-methyl-1-pentanol 699.9
    methyl formate 976.66
    2-methyl-1-butanol 1093.78
    n-decane 23.14
    butyronitrile 1278.91
    3,7-dimethyl-1-octanol 273.44
    1-chlorooctane 181.14
    1-chlorotetradecane 62.66
    n-nonane 22.47
    undecane 16.95
    tert-butylcyclohexane 66.75
    cyclooctane 48.32
    cyclopentanol 1046.66
    tetrahydropyran 1912.54
    tert-amyl methyl ether 764.45
    2,5,8-trioxanonane 726.57
    1-hexene 412.82
    2-isopropoxyethanol 599.5
    2,2,2-trifluoroethanol 511.81
    methyl butyrate 939.15

    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
Valerian, root 8008-88-6 Valeriana officinalis L., fam. Valerianaceae 0.05%
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 0.05%
Artemisia scoparia (India) 2 Artemisia scoparia Waldst. et Kit., fam. Asteraceae (Compositae) 4.2%