Propyl deca-2,4-dienoate

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  • Identifiers

    CAS number
    84788-08-9

    Molecular formula
    C13H22O2

    SMILES
    CCCCCC=CC=CC(=O)OCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.24%
    Fatty 78.89%
    Fruity 78.34%
    Pear 66.69%
    Waxy 62.61%
    Melon 53.36%
    Tropical 46.39%
    Oily 43.51%
    Pineapple 36.41%
    Fresh 34.65%

     

    Flavor
    Green 68.61%
    Fruity 58.66%
    Pear 49.11%
    Waxy 48.2%
    Fatty 47.49%
    Apple 40.12%
    Sweet 37.31%
    Tropical 36.94%
    Melon 36.52%
    Oily 35.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.8 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 124.31 ˚C est.

    Solubility expt.

    • Soluble in fat; Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • propyl deca-2,4-dienoate
    • 84788-08-9
    • 28316-62-3
    • DTXSID70865426
    • propyl (E,Z)-2,4-decadienoate
    • NS00091057

  • Applications

    Propyl deca-2,4-dienoate (CAS 84788-08-9) is an ester that may be used as a fragrance ingredient and odorant or fixative in perfumery and cosmetics, with potential use in personal care products; it is commonly evaluated as an intermediate in organic synthesis involving conjugated diene chemistry; it may serve as a plasticizer for polymers and coatings; it can act as a specialty solvent or co-solvent in industrial formulations; and it has potential use in coatings, inks, and adhesive formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4573.67
    methanol 4846.16
    isopropanol 3157.57
    water 0.05
    ethyl acetate 4615.09
    n-propanol 3265.94
    acetone 7164.02
    n-butanol 2919.73
    acetonitrile 3598.08
    DMF 5747.47
    toluene 1888.47
    isobutanol 2398.2
    1,4-dioxane 3397.73
    methyl acetate 2967.38
    THF 5560.2
    2-butanone 4771.71
    n-pentanol 2124.36
    sec-butanol 3040.31
    n-hexane 717.43
    ethylene glycol 236.8
    NMP 3520.23
    cyclohexane 869.14
    DMSO 6387.51
    n-butyl acetate 3128.97
    n-octanol 629.3
    chloroform 5745.48
    n-propyl acetate 2723.97
    acetic acid 2011.2
    dichloromethane 7064.46
    cyclohexanone 5654.81
    propylene glycol 537.89
    isopropyl acetate 2586.81
    DMAc 3417.14
    2-ethoxyethanol 1925.21
    isopentanol 2505.84
    n-heptane 194.77
    ethyl formate 1663.98
    1,2-dichloroethane 5973.57
    n-hexanol 1927.34
    2-methoxyethanol 3322.93
    isobutyl acetate 1423.32
    tetrachloromethane 776.6
    n-pentyl acetate 1470.56
    transcutol 6326.36
    n-heptanol 584.38
    ethylbenzene 892.27
    MIBK 2016.88
    2-propoxyethanol 2336.06
    tert-butanol 3305.44
    MTBE 4341.42
    2-butoxyethanol 1090.88
    propionic acid 1605.26
    o-xylene 826.75
    formic acid 350.71
    diethyl ether 4815.08
    m-xylene 1070.26
    p-xylene 995.99
    chlorobenzene 2020.98
    dimethyl carbonate 752.54
    n-octane 74.68
    formamide 689.44
    cyclopentanone 4887.75
    2-pentanone 4663.06
    anisole 1538.96
    cyclopentyl methyl ether 3540.9
    gamma-butyrolactone 4053.67
    1-methoxy-2-propanol 2687.35
    pyridine 4160.93
    3-pentanone 2703.62
    furfural 2597.24
    n-dodecane 48.87
    diethylene glycol 1134.05
    diisopropyl ether 1101.43
    tert-amyl alcohol 2922.12
    acetylacetone 3217.63
    n-hexadecane 58.99
    acetophenone 1369.01
    methyl propionate 2858.61
    isopentyl acetate 2465.57
    trichloroethylene 8415.29
    n-nonanol 525.84
    cyclohexanol 2682.98
    benzyl alcohol 1132.83
    2-ethylhexanol 1132.99
    isooctanol 534.92
    dipropyl ether 1577.8
    1,2-dichlorobenzene 1631.04
    ethyl lactate 656.69
    propylene carbonate 1989.58
    n-methylformamide 2112.21
    2-pentanol 2326.11
    n-pentane 477.86
    1-propoxy-2-propanol 1889.17
    1-methoxy-2-propyl acetate 1926.41
    2-(2-methoxypropoxy) propanol 987.15
    mesitylene 587.26
    ε-caprolactone 3526.79
    p-cymene 398.29
    epichlorohydrin 5335.65
    1,1,1-trichloroethane 4155.22
    2-aminoethanol 870.08
    morpholine-4-carbaldehyde 2553.24
    sulfolane 4456.24
    2,2,4-trimethylpentane 191.55
    2-methyltetrahydrofuran 5228.54
    n-hexyl acetate 1792.74
    isooctane 157.07
    2-(2-butoxyethoxy)ethanol 1495.87
    sec-butyl acetate 1732.06
    tert-butyl acetate 2256.86
    decalin 315.73
    glycerin 531.43
    diglyme 2706.11
    acrylic acid 1054.25
    isopropyl myristate 554.4
    n-butyric acid 3193.71
    acetyl acetate 1685.4
    di(2-ethylhexyl) phthalate 433.98
    ethyl propionate 2093.0
    nitromethane 3729.01
    1,2-diethoxyethane 2807.89
    benzonitrile 1660.8
    trioctyl phosphate 317.17
    1-bromopropane 4278.14
    gamma-valerolactone 4404.4
    n-decanol 356.13
    triethyl phosphate 518.86
    4-methyl-2-pentanol 990.5
    propionitrile 2610.85
    vinylene carbonate 1603.68
    1,1,2-trichlorotrifluoroethane 2686.96
    DMS 1122.4
    cumene 494.57
    2-octanol 477.43
    2-hexanone 2884.0
    octyl acetate 683.56
    limonene 764.4
    1,2-dimethoxyethane 3503.01
    ethyl orthosilicate 536.55
    tributyl phosphate 466.17
    diacetone alcohol 1903.92
    N,N-dimethylaniline 920.9
    acrylonitrile 2738.57
    aniline 1905.14
    1,3-propanediol 1380.09
    bromobenzene 2388.3
    dibromomethane 5171.93
    1,1,2,2-tetrachloroethane 6438.39
    2-methyl-cyclohexyl acetate 1025.38
    tetrabutyl urea 639.0
    diisobutyl methanol 540.96
    2-phenylethanol 1074.05
    styrene 1346.48
    dioctyl adipate 750.69
    dimethyl sulfate 1057.56
    ethyl butyrate 1704.38
    methyl lactate 788.73
    butyl lactate 896.83
    diethyl carbonate 894.74
    propanediol butyl ether 993.75
    triethyl orthoformate 877.82
    p-tert-butyltoluene 374.9
    methyl 4-tert-butylbenzoate 818.09
    morpholine 5381.34
    tert-butylamine 2229.39
    n-dodecanol 259.32
    dimethoxymethane 3139.43
    ethylene carbonate 1394.15
    cyrene 776.56
    2-ethoxyethyl acetate 1728.18
    2-ethylhexyl acetate 1810.4
    1,2,4-trichlorobenzene 1769.05
    4-methylpyridine 4392.04
    dibutyl ether 1491.95
    2,6-dimethyl-4-heptanol 540.96
    DEF 4206.71
    dimethyl isosorbide 1533.98
    tetrachloroethylene 3558.46
    eugenol 839.96
    triacetin 1183.44
    span 80 933.27
    1,4-butanediol 556.25
    1,1-dichloroethane 5514.95
    2-methyl-1-pentanol 1891.06
    methyl formate 1212.61
    2-methyl-1-butanol 2466.15
    n-decane 95.45
    butyronitrile 3487.76
    3,7-dimethyl-1-octanol 734.4
    1-chlorooctane 582.71
    1-chlorotetradecane 177.39
    n-nonane 101.04
    undecane 64.67
    tert-butylcyclohexane 277.53
    cyclooctane 196.07
    cyclopentanol 2174.86
    tetrahydropyran 6158.91
    tert-amyl methyl ether 2577.69
    2,5,8-trioxanonane 1594.13
    1-hexene 2601.88
    2-isopropoxyethanol 1513.6
    2,2,2-trifluoroethanol 373.27
    methyl butyrate 3124.05

    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