Butanoic acid, 3-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    60958-23-8

    Molecular formula
    C15H20O3

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fruity 81.57%
    Spicy 72.37%
    Sweet 71.16%
    Woody 60.81%
    Herbal 56.83%
    Balsamic 49.63%
    Floral 44.72%
    Clove 40.54%
    Warm 40.37%
    Berry 35.93%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point est.
    136.65 ˚C

  • Synonyms

    • 60958-23-8
    • (E)-2-Methoxy-4-(1-propenyl)phenyl isovalerate
    • Isoeugenyl isovalerate
    • 35E7JVG2G5
    • EINECS 262-537-9
    • [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
    • UNII-35E7JVG2G5
    • Butanoic acid, 3-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-
    • (2-Methoxy-4-((E)-prop-1-enyl)phenyl) 3-methylbutanoate
    • DTXSID301019792
    • 61114-23-6
    • SCHEMBL23318135
    • DTXCID101477685
    • DB-215125
    • NS00054656

  • Applications

    The (E)-isoeugenyl isovalerate ester (CAS 60958-23-8) is used primarily as a fragrance ingredient in fine fragrances, cosmetics, and personal care, as well as in functional products such as soaps, detergents, air-care, and candles; it imparts a sweet, fruity, warm spicy clove character with balsamic–vanillic nuances, supporting floral–oriental, spicy, ripe-fruity, and woody accords and acting as a modifier/fixative to enhance diffusion and longevity; it may also be applied at very low levels as a flavoring adjunct where permitted and in flavor–fragrance R&D (analytical reference, sensory studies, stability/compatibility testing), with use subject to IFRA guidance and local safety and labeling regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1379.43
    methanol 1284.26
    isopropanol 898.43
    water 0.36
    ethyl acetate 1925.39
    n-propanol 1138.25
    acetone 2505.1
    n-butanol 1149.47
    acetonitrile 1768.52
    DMF 2730.34
    toluene 884.31
    isobutanol 913.99
    1,4-dioxane 1548.09
    methyl acetate 1480.82
    THF 2380.5
    2-butanone 1721.4
    n-pentanol 651.29
    sec-butanol 1010.21
    n-hexane 127.69
    ethylene glycol 204.0
    NMP 2251.8
    cyclohexane 276.67
    DMSO 2227.9
    n-butyl acetate 916.25
    n-octanol 234.34
    chloroform 4832.62
    n-propyl acetate 761.21
    acetic acid 1693.44
    dichloromethane 4801.7
    cyclohexanone 2425.79
    propylene glycol 395.53
    isopropyl acetate 905.95
    DMAc 1902.04
    2-ethoxyethanol 846.57
    isopentanol 923.14
    n-heptane 39.19
    ethyl formate 904.67
    1,2-dichloroethane 3694.26
    n-hexanol 670.65
    2-methoxyethanol 1615.32
    isobutyl acetate 434.37
    tetrachloromethane 458.98
    n-pentyl acetate 449.26
    transcutol 2097.45
    n-heptanol 228.3
    ethylbenzene 364.08
    MIBK 777.27
    2-propoxyethanol 947.44
    tert-butanol 1055.03
    MTBE 1054.16
    2-butoxyethanol 452.78
    propionic acid 971.81
    o-xylene 412.3
    formic acid 405.5
    diethyl ether 1330.54
    m-xylene 501.68
    p-xylene 433.16
    chlorobenzene 1515.37
    dimethyl carbonate 685.86
    n-octane 20.21
    formamide 828.51
    cyclopentanone 2546.0
    2-pentanone 1699.28
    anisole 772.64
    cyclopentyl methyl ether 1362.38
    gamma-butyrolactone 2291.01
    1-methoxy-2-propanol 1185.63
    pyridine 1861.3
    3-pentanone 1157.93
    furfural 1742.55
    n-dodecane 16.32
    diethylene glycol 689.52
    diisopropyl ether 330.8
    tert-amyl alcohol 961.06
    acetylacetone 1584.06
    n-hexadecane 19.73
    acetophenone 694.32
    methyl propionate 1427.41
    isopentyl acetate 774.45
    trichloroethylene 6217.85
    n-nonanol 200.83
    cyclohexanol 1230.3
    benzyl alcohol 648.4
    2-ethylhexanol 360.68
    isooctanol 189.49
    dipropyl ether 336.45
    1,2-dichlorobenzene 1169.68
    ethyl lactate 332.93
    propylene carbonate 1325.63
    n-methylformamide 1200.15
    2-pentanol 811.37
    n-pentane 119.89
    1-propoxy-2-propanol 613.66
    1-methoxy-2-propyl acetate 778.62
    2-(2-methoxypropoxy) propanol 430.27
    mesitylene 272.71
    ε-caprolactone 1675.83
    p-cymene 169.25
    epichlorohydrin 3300.34
    1,1,1-trichloroethane 2793.39
    2-aminoethanol 515.3
    morpholine-4-carbaldehyde 1645.28
    sulfolane 2498.93
    2,2,4-trimethylpentane 68.98
    2-methyltetrahydrofuran 1878.99
    n-hexyl acetate 674.17
    isooctane 46.22
    2-(2-butoxyethoxy)ethanol 647.1
    sec-butyl acetate 516.54
    tert-butyl acetate 898.18
    decalin 107.52
    glycerin 464.91
    diglyme 1169.17
    acrylic acid 905.84
    isopropyl myristate 213.23
    n-butyric acid 1554.93
    acetyl acetate 1112.94
    di(2-ethylhexyl) phthalate 213.04
    ethyl propionate 676.4
    nitromethane 2740.25
    1,2-diethoxyethane 734.99
    benzonitrile 878.65
    trioctyl phosphate 157.27
    1-bromopropane 1720.89
    gamma-valerolactone 2392.21
    n-decanol 140.49
    triethyl phosphate 244.07
    4-methyl-2-pentanol 350.5
    propionitrile 1100.61
    vinylene carbonate 1249.4
    1,1,2-trichlorotrifluoroethane 1880.11
    DMS 665.34
    cumene 213.85
    2-octanol 167.63
    2-hexanone 776.3
    octyl acetate 290.07
    limonene 280.77
    1,2-dimethoxyethane 1230.05
    ethyl orthosilicate 230.4
    tributyl phosphate 217.31
    diacetone alcohol 930.5
    N,N-dimethylaniline 436.01
    acrylonitrile 1421.66
    aniline 1074.79
    1,3-propanediol 811.61
    bromobenzene 1645.19
    dibromomethane 3166.45
    1,1,2,2-tetrachloroethane 4960.58
    2-methyl-cyclohexyl acetate 416.02
    tetrabutyl urea 262.32
    diisobutyl methanol 180.19
    2-phenylethanol 598.97
    styrene 533.82
    dioctyl adipate 318.06
    dimethyl sulfate 918.22
    ethyl butyrate 502.45
    methyl lactate 566.42
    butyl lactate 360.8
    diethyl carbonate 369.35
    propanediol butyl ether 450.9
    triethyl orthoformate 323.91
    p-tert-butyltoluene 160.52
    methyl 4-tert-butylbenzoate 408.47
    morpholine 2223.28
    tert-butylamine 633.46
    n-dodecanol 106.46
    dimethoxymethane 1394.46
    ethylene carbonate 1073.33
    cyrene 469.69
    2-ethoxyethyl acetate 663.85
    2-ethylhexyl acetate 577.46
    1,2,4-trichlorobenzene 1328.25
    4-methylpyridine 2037.58
    dibutyl ether 336.44
    2,6-dimethyl-4-heptanol 180.19
    DEF 1649.69
    dimethyl isosorbide 764.29
    tetrachloroethylene 2569.09
    eugenol 423.42
    triacetin 537.6
    span 80 382.37
    1,4-butanediol 301.48
    1,1-dichloroethane 3368.04
    2-methyl-1-pentanol 653.14
    methyl formate 961.61
    2-methyl-1-butanol 998.29
    n-decane 28.68
    butyronitrile 1285.95
    3,7-dimethyl-1-octanol 267.28
    1-chlorooctane 204.77
    1-chlorotetradecane 72.06
    n-nonane 27.93
    undecane 20.67
    tert-butylcyclohexane 83.3
    cyclooctane 65.44
    cyclopentanol 980.92
    tetrahydropyran 1981.91
    tert-amyl methyl ether 785.15
    2,5,8-trioxanonane 696.22
    1-hexene 456.58
    2-isopropoxyethanol 574.57
    2,2,2-trifluoroethanol 542.35
    methyl butyrate 940.58

    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%