Eugenol isoamyl ether

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  • Identifiers

    CAS number
    209051-79-6

    Molecular formula
    C15H22O2

    SMILES
    CC(C)CCOC1=C(C=C(C=C1)CC=C)OC

  • Odor profile

    Fragrance
    Spicy 76.01%
    Sweet 51.54%
    Herbal 50.4%
    Woody 47.95%
    Clove 43.78%
    Floral 43.34%
    Balsamic 41.42%
    Warm 40.32%
    Phenolic 36.86%
    Smoky 32.4%

     

    Flavor
    Spicy 57.01%
    Sweet 51.76%
    Spice 49.3%
    Herbal 44.0%
    Floral 43.09%
    Clove 43.05%
    Fresh 42.28%
    Green 40.87%
    Woody 40.21%
    Bitter 39.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.59 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 116.29 ˚C est.

  • Synonyms

    • Eugenol isoamyl ether
    • V0R7195CSC
    • UNII-V0R7195CSC
    • 209051-79-6
    • Benzene, 2-methoxy-1-(3-methylbutoxy)-4-(2-propenyl)-
    • Benzene, 2-methoxy-1-(3-methylbutoxy)-4-(2-propen-1-yl)-
    • ISOPENTYLEUGENOL
    • SCHEMBL3166969
    • CHEMBL2270958
    • DTXSID20175062
    • Q27291385

  • Applications

    Eugenol isoamyl ether (CAS 209051-79-6) is primarily used as an odorant and fragrance ingredient in perfumery and cosmetics, contributing to characteristic notes; it is also employed as a chemical intermediate in the synthesis of aroma compounds for fragrance development; it may be added to household products such as cleaners and detergents as a fragrance component; in the coatings and inks sector as well as in plastics and polymer formulations, it can act as a fragrance additive or modifier; and it may be encountered as an intermediate in the industrial production of aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4753.74
    methanol 2887.36
    isopropanol 3497.34
    water 0.26
    ethyl acetate 8347.62
    n-propanol 4158.42
    acetone 7251.66
    n-butanol 4142.65
    acetonitrile 5396.74
    DMF 3576.5
    toluene 2300.61
    isobutanol 3172.45
    1,4-dioxane 6208.21
    methyl acetate 5570.09
    THF 5705.18
    2-butanone 5286.34
    n-pentanol 2093.01
    sec-butanol 3750.38
    n-hexane 840.39
    ethylene glycol 401.25
    NMP 2301.24
    cyclohexane 1892.08
    DMSO 4922.88
    n-butyl acetate 3850.42
    n-octanol 757.55
    chloroform 12150.88
    n-propyl acetate 3283.85
    acetic acid 3828.94
    dichloromethane 11809.49
    cyclohexanone 6455.64
    propylene glycol 863.29
    isopropyl acetate 3539.5
    DMAc 2214.04
    2-ethoxyethanol 2628.8
    isopentanol 2994.44
    n-heptane 364.46
    ethyl formate 3013.62
    1,2-dichloroethane 9880.48
    n-hexanol 2520.96
    2-methoxyethanol 4419.79
    isobutyl acetate 1476.36
    tetrachloromethane 1955.16
    n-pentyl acetate 1485.6
    transcutol 6701.96
    n-heptanol 711.09
    ethylbenzene 1029.43
    MIBK 2119.59
    2-propoxyethanol 2912.68
    tert-butanol 4050.18
    MTBE 5149.0
    2-butoxyethanol 1237.59
    propionic acid 2713.65
    o-xylene 1082.92
    formic acid 594.47
    diethyl ether 7558.66
    m-xylene 1261.03
    p-xylene 1186.65
    chlorobenzene 3603.07
    dimethyl carbonate 1320.35
    n-octane 136.39
    formamide 1272.15
    cyclopentanone 5116.48
    2-pentanone 5016.37
    anisole 1898.07
    cyclopentyl methyl ether 3952.83
    gamma-butyrolactone 4785.41
    1-methoxy-2-propanol 3161.41
    pyridine 4876.01
    3-pentanone 3648.06
    furfural 3502.79
    n-dodecane 81.21
    diethylene glycol 1634.21
    diisopropyl ether 1716.89
    tert-amyl alcohol 3479.16
    acetylacetone 4188.22
    n-hexadecane 100.1
    acetophenone 1518.59
    methyl propionate 4568.13
    isopentyl acetate 2795.6
    trichloroethylene 14107.38
    n-nonanol 642.37
    cyclohexanol 4204.33
    benzyl alcohol 1508.91
    2-ethylhexanol 1354.77
    isooctanol 615.37
    dipropyl ether 2049.79
    1,2-dichlorobenzene 2672.25
    ethyl lactate 850.08
    propylene carbonate 2885.44
    n-methylformamide 2069.16
    2-pentanol 3186.79
    n-pentane 825.78
    1-propoxy-2-propanol 2088.07
    1-methoxy-2-propyl acetate 2524.95
    2-(2-methoxypropoxy) propanol 996.47
    mesitylene 747.99
    ε-caprolactone 4795.5
    p-cymene 545.86
    epichlorohydrin 7659.39
    1,1,1-trichloroethane 8212.76
    2-aminoethanol 1070.47
    morpholine-4-carbaldehyde 2724.32
    sulfolane 4121.12
    2,2,4-trimethylpentane 331.15
    2-methyltetrahydrofuran 5810.14
    n-hexyl acetate 1984.98
    isooctane 262.75
    2-(2-butoxyethoxy)ethanol 1756.6
    sec-butyl acetate 1928.52
    tert-butyl acetate 3027.36
    decalin 469.6
    glycerin 865.46
    diglyme 3376.86
    acrylic acid 1866.11
    isopropyl myristate 651.7
    n-butyric acid 5312.93
    acetyl acetate 3617.96
    di(2-ethylhexyl) phthalate 447.48
    ethyl propionate 2667.8
    nitromethane 6022.33
    1,2-diethoxyethane 3474.53
    benzonitrile 2063.19
    trioctyl phosphate 367.54
    1-bromopropane 5596.88
    gamma-valerolactone 5133.01
    n-decanol 454.16
    triethyl phosphate 631.73
    4-methyl-2-pentanol 1225.82
    propionitrile 3546.64
    vinylene carbonate 2469.27
    1,1,2-trichlorotrifluoroethane 3992.3
    DMS 1517.86
    cumene 581.8
    2-octanol 558.85
    2-hexanone 2557.52
    octyl acetate 800.18
    limonene 995.45
    1,2-dimethoxyethane 3993.68
    ethyl orthosilicate 647.55
    tributyl phosphate 558.48
    diacetone alcohol 2466.29
    N,N-dimethylaniline 898.47
    acrylonitrile 3285.64
    aniline 2458.33
    1,3-propanediol 2151.45
    bromobenzene 4188.87
    dibromomethane 8446.22
    1,1,2,2-tetrachloroethane 11586.99
    2-methyl-cyclohexyl acetate 1158.77
    tetrabutyl urea 606.61
    diisobutyl methanol 702.39
    2-phenylethanol 1409.98
    styrene 1442.37
    dioctyl adipate 810.15
    dimethyl sulfate 1398.97
    ethyl butyrate 2148.16
    methyl lactate 1155.92
    butyl lactate 937.76
    diethyl carbonate 1277.53
    propanediol butyl ether 1145.15
    triethyl orthoformate 1167.11
    p-tert-butyltoluene 501.91
    methyl 4-tert-butylbenzoate 833.74
    morpholine 7833.08
    tert-butylamine 2829.01
    n-dodecanol 343.68
    dimethoxymethane 3259.65
    ethylene carbonate 2462.61
    cyrene 793.32
    2-ethoxyethyl acetate 2095.97
    2-ethylhexyl acetate 2145.05
    1,2,4-trichlorobenzene 2806.19
    4-methylpyridine 4756.86
    dibutyl ether 1629.02
    2,6-dimethyl-4-heptanol 702.39
    DEF 3846.0
    dimethyl isosorbide 1570.1
    tetrachloroethylene 6531.5
    eugenol 808.28
    triacetin 1301.15
    span 80 920.23
    1,4-butanediol 762.54
    1,1-dichloroethane 9689.88
    2-methyl-1-pentanol 1933.17
    methyl formate 1781.21
    2-methyl-1-butanol 3208.19
    n-decane 160.18
    butyronitrile 4334.79
    3,7-dimethyl-1-octanol 857.69
    1-chlorooctane 770.02
    1-chlorotetradecane 258.54
    n-nonane 175.69
    undecane 108.19
    tert-butylcyclohexane 372.63
    cyclooctane 520.51
    cyclopentanol 2812.85
    tetrahydropyran 8428.73
    tert-amyl methyl ether 3101.79
    2,5,8-trioxanonane 1768.62
    1-hexene 2208.94
    2-isopropoxyethanol 1801.6
    2,2,2-trifluoroethanol 956.27
    methyl butyrate 3370.06

    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