Eugenyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H20O3

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

    Retention indicies (RI)

    • DB5: 1718.0

  • Odor profile

    Fruity 66.95%
    Spicy 60.53%
    Sweet 52.42%
    Woody 51.44%
    Herbal 42.01%
    Balsamic 39.14%
    Floral 38.28%
    Warm 37.66%
    Clove 37.46%
    Dry 31.88%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    137.97 ˚C

  • Synonyms

    • Eugenyl valerate
    • CHEMBL4175181
    • SCHEMBL11613528
    • Q65225330

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2017.7
    methanol 2506.5
    isopropanol 973.99
    water 0.2
    ethyl acetate 2601.3
    n-propanol 1459.79
    acetone 2837.62
    n-butanol 1343.33
    acetonitrile 1921.15
    DMF 3364.66
    toluene 940.94
    isobutanol 929.75
    1,4-dioxane 1693.34
    methyl acetate 1907.29
    THF 2006.98
    2-butanone 2049.55
    n-pentanol 679.95
    sec-butanol 1034.91
    n-hexane 47.63
    ethylene glycol 257.34
    NMP 1926.67
    cyclohexane 151.62
    DMSO 3095.31
    n-butyl acetate 1037.26
    n-octanol 178.36
    chloroform 3642.73
    n-propyl acetate 910.62
    acetic acid 1625.81
    dichloromethane 4459.2
    cyclohexanone 2266.31
    propylene glycol 370.04
    isopropyl acetate 1177.19
    DMAc 2331.14
    2-ethoxyethanol 1093.16
    isopentanol 969.06
    n-heptane 17.31
    ethyl formate 1048.25
    1,2-dichloroethane 3834.71
    n-hexanol 592.52
    2-methoxyethanol 2123.25
    isobutyl acetate 485.63
    tetrachloromethane 306.95
    n-pentyl acetate 441.51
    transcutol 2502.76
    n-heptanol 184.97
    ethylbenzene 343.9
    MIBK 755.62
    2-propoxyethanol 993.82
    tert-butanol 1102.91
    MTBE 1161.94
    2-butoxyethanol 440.87
    propionic acid 1003.11
    o-xylene 402.09
    formic acid 450.29
    diethyl ether 1651.59
    m-xylene 475.02
    p-xylene 387.41
    chlorobenzene 1363.55
    dimethyl carbonate 707.6
    n-octane 11.9
    formamide 992.39
    cyclopentanone 2223.12
    2-pentanone 1771.52
    anisole 786.74
    cyclopentyl methyl ether 1090.31
    gamma-butyrolactone 2082.65
    1-methoxy-2-propanol 1307.79
    pyridine 2176.25
    3-pentanone 1243.4
    furfural 1768.57
    n-dodecane 12.35
    diethylene glycol 780.19
    diisopropyl ether 306.16
    tert-amyl alcohol 1005.37
    acetylacetone 1808.39
    n-hexadecane 14.74
    acetophenone 707.42
    methyl propionate 1720.25
    isopentyl acetate 837.5
    trichloroethylene 5594.79
    n-nonanol 159.35
    cyclohexanol 1056.2
    benzyl alcohol 710.09
    2-ethylhexanol 297.86
    isooctanol 160.67
    dipropyl ether 280.54
    1,2-dichlorobenzene 1027.0
    ethyl lactate 327.49
    propylene carbonate 1199.35
    n-methylformamide 1544.79
    2-pentanol 756.87
    n-pentane 52.2
    1-propoxy-2-propanol 595.51
    1-methoxy-2-propyl acetate 817.06
    2-(2-methoxypropoxy) propanol 408.91
    mesitylene 228.99
    ε-caprolactone 1711.88
    p-cymene 142.2
    epichlorohydrin 3366.24
    1,1,1-trichloroethane 2080.82
    2-aminoethanol 612.45
    morpholine-4-carbaldehyde 1512.53
    sulfolane 2018.59
    2,2,4-trimethylpentane 42.29
    2-methyltetrahydrofuran 1602.76
    n-hexyl acetate 565.02
    isooctane 29.75
    2-(2-butoxyethoxy)ethanol 638.67
    sec-butyl acetate 581.98
    tert-butyl acetate 973.46
    decalin 68.52
    glycerin 452.42
    diglyme 1312.74
    acrylic acid 852.39
    isopropyl myristate 185.58
    n-butyric acid 1695.32
    acetyl acetate 1231.16
    di(2-ethylhexyl) phthalate 186.33
    ethyl propionate 802.74
    nitromethane 3009.44
    1,2-diethoxyethane 891.69
    benzonitrile 867.46
    trioctyl phosphate 128.03
    1-bromopropane 1633.53
    gamma-valerolactone 2293.45
    n-decanol 113.37
    triethyl phosphate 222.13
    4-methyl-2-pentanol 319.59
    propionitrile 1287.77
    vinylene carbonate 1087.07
    1,1,2-trichlorotrifluoroethane 1591.9
    DMS 631.06
    cumene 188.03
    2-octanol 133.79
    2-hexanone 791.38
    octyl acetate 244.98
    limonene 227.4
    1,2-dimethoxyethane 1558.4
    ethyl orthosilicate 207.11
    tributyl phosphate 187.0
    diacetone alcohol 873.24
    N,N-dimethylaniline 383.67
    acrylonitrile 1663.17
    aniline 1076.93
    1,3-propanediol 979.4
    bromobenzene 1447.42
    dibromomethane 2839.23
    1,1,2,2-tetrachloroethane 4168.88
    2-methyl-cyclohexyl acetate 352.47
    tetrabutyl urea 234.77
    diisobutyl methanol 162.47
    2-phenylethanol 573.07
    styrene 535.38
    dioctyl adipate 274.63
    dimethyl sulfate 878.23
    ethyl butyrate 551.43
    methyl lactate 548.87
    butyl lactate 333.61
    diethyl carbonate 367.83
    propanediol butyl ether 394.03
    triethyl orthoformate 305.4
    p-tert-butyltoluene 132.47
    methyl 4-tert-butylbenzoate 369.87
    morpholine 2462.17
    tert-butylamine 563.48
    n-dodecanol 88.43
    dimethoxymethane 1880.1
    ethylene carbonate 998.87
    cyrene 408.33
    2-ethoxyethyl acetate 708.81
    2-ethylhexyl acetate 586.24
    1,2,4-trichlorobenzene 1119.44
    4-methylpyridine 2108.18
    dibutyl ether 298.54
    2,6-dimethyl-4-heptanol 162.47
    DEF 1837.1
    dimethyl isosorbide 653.12
    tetrachloroethylene 2214.12
    eugenol 396.46
    triacetin 463.99
    span 80 320.52
    1,4-butanediol 344.8
    1,1-dichloroethane 2974.89
    2-methyl-1-pentanol 656.85
    methyl formate 1114.67
    2-methyl-1-butanol 1047.09
    n-decane 19.59
    butyronitrile 1353.73
    3,7-dimethyl-1-octanol 219.62
    1-chlorooctane 146.7
    1-chlorotetradecane 55.58
    n-nonane 17.73
    undecane 14.86
    tert-butylcyclohexane 54.91
    cyclooctane 33.53
    cyclopentanol 833.64
    tetrahydropyran 2023.79
    tert-amyl methyl ether 804.6
    2,5,8-trioxanonane 753.87
    1-hexene 310.21
    2-isopropoxyethanol 687.1
    2,2,2-trifluoroethanol 412.63
    methyl butyrate 1093.3

    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
Artemisia scoparia (India) 2 Artemisia scoparia Waldst. et Kit., fam. Asteraceae (Compositae) 5.5%