(Z,E)-Deca-2,4-dienyl isobutyrate

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  • Identifiers

    CAS number
    94133-57-0

    Molecular formula
    C14H24O2

    SMILES
    CCCCC/C=C/C=C\COC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.0%
    Fatty 69.12%
    Green 67.16%
    Pear 63.1%
    Waxy 56.85%
    Melon 49.02%
    Tropical 46.94%
    Oily 43.88%
    Apple 43.26%
    Pineapple 43.06%

     

    Flavor
    Green 48.51%
    Fruity 46.59%
    Waxy 38.71%
    Pear 38.68%
    Melon 34.64%
    Tropical 33.28%
    Oily 30.73%
    Fatty 29.4%
    Floral 28.88%
    Apple 28.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.06 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 127.05 ˚C est.

  • Synonyms

    • (Z,E)-Deca-2,4-dienyl isobutyrate
    • EINECS 302-718-2
    • 94133-57-0
    • (2Z,4E)-deca-2,4-dien-1-yl 2-methylpropanoate
    • PKPNQPCVKDGGPU-OCBXPSTGSA-N
    • DTXSID201203079
    • Propanoic acid, 2-methyl-, 2,4-decadienyl ester, (Z,E)-
    • 94133-57-0

  • Applications

    Chemical name: (Z,E)-Deca-2,4-dienyl isobutyrate, CAS 94133-57-0 is primarily encountered as a fragrance-related ester, used as an aroma ingredient in perfumery and as a potential fixative; it may also serve as a synthetic intermediate in the development of related flavor and fragrance molecules. In cosmetics and personal care, it can be used as a fragrance component; in household products, it may function as a scent additive for detergents and cleaners. It is also evaluated in industrial manufacturing as an intermediate for specialty chemicals connected to fragrance formulation, and formulators may explore its use in coatings or inks as a fragrance additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3123.95
    methanol 3041.6
    isopropanol 2474.18
    water 0.14
    ethyl acetate 5256.57
    n-propanol 2409.81
    acetone 4690.15
    n-butanol 2451.93
    acetonitrile 3526.9
    DMF 2593.72
    toluene 1879.3
    isobutanol 2055.7
    1,4-dioxane 3523.26
    methyl acetate 3168.89
    THF 4358.82
    2-butanone 4291.11
    n-pentanol 2097.67
    sec-butanol 2729.25
    n-hexane 890.34
    ethylene glycol 112.85
    NMP 2008.83
    cyclohexane 1045.46
    DMSO 2819.07
    n-butyl acetate 3976.49
    n-octanol 786.54
    chloroform 6492.84
    n-propyl acetate 3563.72
    acetic acid 1662.77
    dichloromethane 7603.85
    cyclohexanone 4627.66
    propylene glycol 296.13
    isopropyl acetate 3186.24
    DMAc 2565.96
    2-ethoxyethanol 2113.61
    isopentanol 2725.26
    n-heptane 293.05
    ethyl formate 1823.65
    1,2-dichloroethane 5086.11
    n-hexanol 1910.15
    2-methoxyethanol 2422.94
    isobutyl acetate 2015.89
    tetrachloromethane 1167.34
    n-pentyl acetate 2044.52
    transcutol 6823.29
    n-heptanol 791.65
    ethylbenzene 1101.69
    MIBK 2260.16
    2-propoxyethanol 2308.89
    tert-butanol 3303.48
    MTBE 5415.16
    2-butoxyethanol 1288.51
    propionic acid 1352.76
    o-xylene 1031.47
    formic acid 297.84
    diethyl ether 5370.98
    m-xylene 1141.91
    p-xylene 1400.63
    chlorobenzene 2091.41
    dimethyl carbonate 632.93
    n-octane 122.97
    formamide 586.04
    cyclopentanone 3367.45
    2-pentanone 4016.72
    anisole 1797.61
    cyclopentyl methyl ether 3002.51
    gamma-butyrolactone 3067.49
    1-methoxy-2-propanol 2092.21
    pyridine 3335.1
    3-pentanone 2607.49
    furfural 2326.74
    n-dodecane 72.69
    diethylene glycol 880.8
    diisopropyl ether 1518.74
    tert-amyl alcohol 3246.23
    acetylacetone 2960.52
    n-hexadecane 86.61
    acetophenone 1621.88
    methyl propionate 2422.6
    isopentyl acetate 3201.31
    trichloroethylene 7542.78
    n-nonanol 656.15
    cyclohexanol 2308.74
    benzyl alcohol 1140.87
    2-ethylhexanol 1364.01
    isooctanol 735.53
    dipropyl ether 1808.65
    1,2-dichlorobenzene 1810.27
    ethyl lactate 700.12
    propylene carbonate 1914.82
    n-methylformamide 1283.36
    2-pentanol 2320.66
    n-pentane 570.24
    1-propoxy-2-propanol 1954.39
    1-methoxy-2-propyl acetate 2176.16
    2-(2-methoxypropoxy) propanol 1088.24
    mesitylene 705.03
    ε-caprolactone 3557.18
    p-cymene 554.81
    epichlorohydrin 4519.02
    1,1,1-trichloroethane 4720.99
    2-aminoethanol 484.39
    morpholine-4-carbaldehyde 2171.33
    sulfolane 2703.32
    2,2,4-trimethylpentane 314.75
    2-methyltetrahydrofuran 4832.07
    n-hexyl acetate 2210.37
    isooctane 238.61
    2-(2-butoxyethoxy)ethanol 1610.97
    sec-butyl acetate 2553.95
    tert-butyl acetate 2696.13
    decalin 426.28
    glycerin 311.52
    diglyme 2908.19
    acrylic acid 792.64
    isopropyl myristate 666.67
    n-butyric acid 2925.48
    acetyl acetate 2075.54
    di(2-ethylhexyl) phthalate 495.11
    ethyl propionate 2669.07
    nitromethane 2990.25
    1,2-diethoxyethane 3452.66
    benzonitrile 1790.19
    trioctyl phosphate 371.14
    1-bromopropane 3997.17
    gamma-valerolactone 3834.19
    n-decanol 447.13
    triethyl phosphate 660.77
    4-methyl-2-pentanol 1246.0
    propionitrile 2674.87
    vinylene carbonate 1592.54
    1,1,2-trichlorotrifluoroethane 2091.22
    DMS 1233.33
    cumene 683.32
    2-octanol 686.07
    2-hexanone 3006.89
    octyl acetate 810.26
    limonene 956.98
    1,2-dimethoxyethane 3797.01
    ethyl orthosilicate 722.82
    tributyl phosphate 562.25
    diacetone alcohol 1935.06
    N,N-dimethylaniline 1110.86
    acrylonitrile 2295.72
    aniline 1581.48
    1,3-propanediol 994.3
    bromobenzene 2565.85
    dibromomethane 5533.68
    1,1,2,2-tetrachloroethane 5961.67
    2-methyl-cyclohexyl acetate 1324.72
    tetrabutyl urea 653.0
    diisobutyl methanol 686.24
    2-phenylethanol 1140.52
    styrene 1467.65
    dioctyl adipate 841.34
    dimethyl sulfate 786.79
    ethyl butyrate 2339.76
    methyl lactate 591.63
    butyl lactate 1054.76
    diethyl carbonate 1245.42
    propanediol butyl ether 991.21
    triethyl orthoformate 1237.46
    p-tert-butyltoluene 501.38
    methyl 4-tert-butylbenzoate 981.47
    morpholine 4448.67
    tert-butylamine 2298.23
    n-dodecanol 320.54
    dimethoxymethane 2288.65
    ethylene carbonate 1460.71
    cyrene 844.29
    2-ethoxyethyl acetate 2162.07
    2-ethylhexyl acetate 2436.28
    1,2,4-trichlorobenzene 1818.32
    4-methylpyridine 3935.45
    dibutyl ether 1820.36
    2,6-dimethyl-4-heptanol 686.24
    DEF 3770.74
    dimethyl isosorbide 1689.65
    tetrachloroethylene 3613.71
    eugenol 971.59
    triacetin 1363.27
    span 80 995.73
    1,4-butanediol 489.8
    1,1-dichloroethane 5517.07
    2-methyl-1-pentanol 2291.1
    methyl formate 866.36
    2-methyl-1-butanol 2492.54
    n-decane 148.56
    butyronitrile 3635.78
    3,7-dimethyl-1-octanol 904.01
    1-chlorooctane 776.53
    1-chlorotetradecane 227.66
    n-nonane 159.58
    undecane 97.14
    tert-butylcyclohexane 393.79
    cyclooctane 276.43
    cyclopentanol 1605.14
    tetrahydropyran 5402.88
    tert-amyl methyl ether 3373.52
    2,5,8-trioxanonane 1653.15
    1-hexene 2581.15
    2-isopropoxyethanol 1818.88
    2,2,2-trifluoroethanol 387.1
    methyl butyrate 3774.93

    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