(E)-3-Hexenyl (2Z,4Z)-2,4-decadienoate

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  • Identifiers

    CAS number
    94109-96-3

    Molecular formula
    C16H26O2

    SMILES
    CCCCC/C=C\C=C/C(=O)OCC/C=C/CC

    Safety labels

  • Odor profile

    Fragrance
    Green 82.0%
    Fatty 75.96%
    Fruity 64.32%
    Pear 61.39%
    Waxy 59.1%
    Melon 58.48%
    Tropical 47.56%
    Oily 44.62%
    Cucumber 37.96%
    Violet 36.29%

     

    Flavor
    Green 64.52%
    Fatty 50.69%
    Waxy 45.51%
    Pear 43.59%
    Melon 42.15%
    Fruity 40.35%
    Oily 35.09%
    Sweet 32.91%
    Tropical 31.35%
    Cucumber 30.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.87 (neutral)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 156.95 ˚C est.

  • Synonyms

    • (E)-3-Hexenyl (2Z,4Z)-2,4-decadienoate
    • EINECS 302-536-3
    • 94109-96-3
    • GDCDHOABPPVBLT-DBQLZJNWSA-N
    • (E)-3-Hexenyl(2Z,4Z)-2,4-decadienoate
    • NS00064200
    • 94109-96-3

  • Applications

    (E)-3-Hexenyl (2Z,4Z)-2,4-decadienoate, CAS 94109-96-3, is primarily used as an odorant in fragrance applications; in perfumery it contributes a green, leafy note and can function as a scent component or fixative. It may also be used as a flavor ingredient to impart fresh, green nuances in certain foods or beverages. In cosmetics and personal care, it is employed as a fragrance ingredient in products such as creams, lotions, and fragrances. In household products, it appears in air fresheners, cleaners, and detergents to deliver a fresh aroma. In industrial manufacturing, it can serve as a fragrance additive or intermediate in fragrance synthesis for various product lines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3437.98
    methanol 3806.93
    isopropanol 2036.55
    water 0.05
    ethyl acetate 4589.35
    n-propanol 2445.24
    acetone 6673.92
    n-butanol 2048.23
    acetonitrile 2635.18
    DMF 5782.71
    toluene 1779.54
    isobutanol 1669.3
    1,4-dioxane 3123.54
    methyl acetate 2712.83
    THF 5982.2
    2-butanone 4495.73
    n-pentanol 1377.16
    sec-butanol 1952.14
    n-hexane 333.94
    ethylene glycol 171.2
    NMP 4520.52
    cyclohexane 595.98
    DMSO 8612.65
    n-butyl acetate 2346.8
    n-octanol 336.4
    chloroform 5440.16
    n-propyl acetate 2340.31
    acetic acid 1621.31
    dichloromethane 8018.65
    cyclohexanone 5967.98
    propylene glycol 387.11
    isopropyl acetate 2559.57
    DMAc 4109.53
    2-ethoxyethanol 1777.97
    isopentanol 1707.88
    n-heptane 108.69
    ethyl formate 1319.81
    1,2-dichloroethane 7183.69
    n-hexanol 1082.08
    2-methoxyethanol 3237.56
    isobutyl acetate 1244.09
    tetrachloromethane 684.81
    n-pentyl acetate 1256.6
    transcutol 6820.32
    n-heptanol 367.63
    ethylbenzene 674.53
    MIBK 2041.49
    2-propoxyethanol 1795.19
    tert-butanol 2204.32
    MTBE 3618.73
    2-butoxyethanol 854.89
    propionic acid 1296.71
    o-xylene 773.32
    formic acid 333.57
    diethyl ether 4620.1
    m-xylene 971.78
    p-xylene 777.36
    chlorobenzene 1947.96
    dimethyl carbonate 878.62
    n-octane 38.22
    formamide 824.09
    cyclopentanone 5630.24
    2-pentanone 4537.47
    anisole 1361.12
    cyclopentyl methyl ether 3959.01
    gamma-butyrolactone 4656.79
    1-methoxy-2-propanol 2514.69
    pyridine 4121.91
    3-pentanone 3012.86
    furfural 2647.83
    n-dodecane 25.06
    diethylene glycol 954.82
    diisopropyl ether 955.63
    tert-amyl alcohol 2001.78
    acetylacetone 3655.16
    n-hexadecane 31.33
    acetophenone 1244.74
    methyl propionate 3113.76
    isopentyl acetate 1960.31
    trichloroethylene 9333.84
    n-nonanol 306.97
    cyclohexanol 2109.79
    benzyl alcohol 919.76
    2-ethylhexanol 667.54
    isooctanol 347.21
    dipropyl ether 1216.51
    1,2-dichlorobenzene 1611.89
    ethyl lactate 589.58
    propylene carbonate 1895.84
    n-methylformamide 2101.7
    2-pentanol 1518.0
    n-pentane 242.39
    1-propoxy-2-propanol 1400.66
    1-methoxy-2-propyl acetate 1887.24
    2-(2-methoxypropoxy) propanol 852.63
    mesitylene 526.03
    ε-caprolactone 3593.6
    p-cymene 301.83
    epichlorohydrin 6389.73
    1,1,1-trichloroethane 4043.78
    2-aminoethanol 684.33
    morpholine-4-carbaldehyde 2802.64
    sulfolane 5863.93
    2,2,4-trimethylpentane 133.43
    2-methyltetrahydrofuran 5264.73
    n-hexyl acetate 1420.57
    isooctane 99.47
    2-(2-butoxyethoxy)ethanol 1273.17
    sec-butyl acetate 1538.32
    tert-butyl acetate 2357.09
    decalin 223.61
    glycerin 447.97
    diglyme 2592.55
    acrylic acid 838.72
    isopropyl myristate 418.75
    n-butyric acid 2604.89
    acetyl acetate 1716.59
    di(2-ethylhexyl) phthalate 343.06
    ethyl propionate 1998.65
    nitromethane 3922.43
    1,2-diethoxyethane 2696.62
    benzonitrile 1287.1
    trioctyl phosphate 243.04
    1-bromopropane 4147.33
    gamma-valerolactone 4987.7
    n-decanol 209.84
    triethyl phosphate 492.81
    4-methyl-2-pentanol 666.05
    propionitrile 1932.68
    vinylene carbonate 1474.02
    1,1,2-trichlorotrifluoroethane 2778.08
    DMS 1149.13
    cumene 371.16
    2-octanol 278.89
    2-hexanone 2351.32
    octyl acetate 511.07
    limonene 608.64
    1,2-dimethoxyethane 2958.36
    ethyl orthosilicate 499.91
    tributyl phosphate 385.94
    diacetone alcohol 1906.63
    N,N-dimethylaniline 799.52
    acrylonitrile 2097.32
    aniline 1788.25
    1,3-propanediol 1153.89
    bromobenzene 2373.45
    dibromomethane 5332.87
    1,1,2,2-tetrachloroethane 7061.41
    2-methyl-cyclohexyl acetate 942.61
    tetrabutyl urea 534.97
    diisobutyl methanol 375.94
    2-phenylethanol 826.94
    styrene 1082.83
    dioctyl adipate 653.95
    dimethyl sulfate 1409.49
    ethyl butyrate 1469.12
    methyl lactate 791.09
    butyl lactate 767.52
    diethyl carbonate 780.36
    propanediol butyl ether 757.69
    triethyl orthoformate 805.48
    p-tert-butyltoluene 286.09
    methyl 4-tert-butylbenzoate 763.83
    morpholine 5161.32
    tert-butylamine 1418.68
    n-dodecanol 152.02
    dimethoxymethane 3591.9
    ethylene carbonate 1343.89
    cyrene 741.98
    2-ethoxyethyl acetate 1688.55
    2-ethylhexyl acetate 1493.37
    1,2,4-trichlorobenzene 1839.62
    4-methylpyridine 4147.87
    dibutyl ether 1063.39
    2,6-dimethyl-4-heptanol 375.94
    DEF 4496.99
    dimethyl isosorbide 1601.41
    tetrachloroethylene 3840.02
    eugenol 703.54
    triacetin 1128.95
    span 80 734.3
    1,4-butanediol 388.97
    1,1-dichloroethane 5426.33
    2-methyl-1-pentanol 1218.28
    methyl formate 1113.33
    2-methyl-1-butanol 1736.77
    n-decane 49.43
    butyronitrile 2332.25
    3,7-dimethyl-1-octanol 456.28
    1-chlorooctane 363.29
    1-chlorotetradecane 108.86
    n-nonane 50.73
    undecane 33.05
    tert-butylcyclohexane 179.09
    cyclooctane 127.94
    cyclopentanol 1842.11
    tetrahydropyran 5681.48
    tert-amyl methyl ether 2312.5
    2,5,8-trioxanonane 1496.38
    1-hexene 1417.73
    2-isopropoxyethanol 1261.86
    2,2,2-trifluoroethanol 358.98
    methyl butyrate 2770.7

    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