2-Ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate

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  • Identifiers

    CAS number
    87148-01-4

    Molecular formula
    C21H28O3

    SMILES
    CCCCC(CC)COC(=O)/C(=C/C=C/C1=CC=CC=C1)/C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.89%
    Floral 60.22%
    Herbal 54.85%
    Balsamic 51.91%
    Sweet 43.98%
    Jasmin 40.53%
    Spicy 40.01%
    Woody 38.6%
    Green 37.67%
    Rose 33.44%

     

    Flavor
    Fruity 28.2%
    Herbal 26.8%
    Bitter 22.59%
    Floral 21.06%
    Heather 20.5%
    Genet 20.42%
    Broom 20.33%
    Ethyl benzoate 19.14%
    Valerian 18.89%
    Lovage 18.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.23 (neutral)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Flash point

    • 184.25 ˚C est.

  • Synonyms

    • 2-Ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate
    • 87148-01-4
    • EINECS 289-301-8
    • RefChem:260678
    • 289-301-8
    • COGSJLDNUHGNQV-LTRZOUJXSA-N
    • 87148-01-4

  • Applications

    2-Ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate is used in perfumery as a fragrance ingredient and fixative to help impart and retain a scent in perfumes and scented consumer products. In cosmetics and personal care, the compound is used as a fragrance component to impart odor to products such as moisturizers, hair care, and other formulations. In household products such as cleaners and air fresheners, it can serve as a fragrance additive. In the field of polymers and plastics, it may function as a processing aid or plasticizer for fragrance-containing formulations. In coatings, paints, and inks, it can be used as a fragrance additive to impart scent to the finished products. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.61
    methanol 504.03
    isopropanol 368.73
    water 0.12
    ethyl acetate 1326.39
    n-propanol 555.74
    acetone 2174.38
    n-butanol 481.41
    acetonitrile 901.96
    DMF 2535.57
    toluene 924.92
    isobutanol 431.09
    1,4-dioxane 1104.79
    methyl acetate 1106.12
    THF 2173.32
    2-butanone 1747.29
    n-pentanol 349.36
    sec-butanol 491.7
    n-hexane 51.09
    ethylene glycol 39.65
    NMP 2796.05
    cyclohexane 133.89
    DMSO 2220.6
    n-butyl acetate 606.92
    n-octanol 81.38
    chloroform 4199.29
    n-propyl acetate 633.22
    acetic acid 568.16
    dichloromethane 5181.26
    cyclohexanone 2469.78
    propylene glycol 117.47
    isopropyl acetate 762.42
    DMAc 2592.09
    2-ethoxyethanol 494.11
    isopentanol 451.54
    n-heptane 13.25
    ethyl formate 484.41
    1,2-dichloroethane 4546.85
    n-hexanol 251.02
    2-methoxyethanol 805.81
    isobutyl acetate 391.61
    tetrachloromethane 399.35
    n-pentyl acetate 371.9
    transcutol 1799.42
    n-heptanol 111.01
    ethylbenzene 303.05
    MIBK 721.03
    2-propoxyethanol 537.39
    tert-butanol 479.41
    MTBE 756.06
    2-butoxyethanol 307.91
    propionic acid 525.12
    o-xylene 406.21
    formic acid 131.31
    diethyl ether 976.38
    m-xylene 419.32
    p-xylene 381.56
    chlorobenzene 1470.49
    dimethyl carbonate 556.72
    n-octane 7.24
    formamide 378.2
    cyclopentanone 2858.57
    2-pentanone 1425.69
    anisole 663.41
    cyclopentyl methyl ether 1290.72
    gamma-butyrolactone 2433.64
    1-methoxy-2-propanol 691.7
    pyridine 1745.16
    3-pentanone 1236.75
    furfural 1494.9
    n-dodecane 5.77
    diethylene glycol 294.38
    diisopropyl ether 222.32
    tert-amyl alcohol 507.76
    acetylacetone 1482.44
    n-hexadecane 7.22
    acetophenone 660.22
    methyl propionate 1251.3
    isopentyl acetate 558.03
    trichloroethylene 6408.81
    n-nonanol 84.19
    cyclohexanol 666.97
    benzyl alcohol 447.84
    2-ethylhexanol 156.77
    isooctanol 108.54
    dipropyl ether 233.72
    1,2-dichlorobenzene 1181.61
    ethyl lactate 237.3
    propylene carbonate 1134.08
    n-methylformamide 868.92
    2-pentanol 363.4
    n-pentane 41.04
    1-propoxy-2-propanol 366.55
    1-methoxy-2-propyl acetate 648.03
    2-(2-methoxypropoxy) propanol 306.03
    mesitylene 217.51
    ε-caprolactone 1576.08
    p-cymene 107.63
    epichlorohydrin 3500.37
    1,1,1-trichloroethane 2627.12
    2-aminoethanol 170.23
    morpholine-4-carbaldehyde 1383.83
    sulfolane 3017.74
    2,2,4-trimethylpentane 33.87
    2-methyltetrahydrofuran 1776.31
    n-hexyl acetate 409.82
    isooctane 20.52
    2-(2-butoxyethoxy)ethanol 430.32
    sec-butyl acetate 466.28
    tert-butyl acetate 780.37
    decalin 61.89
    glycerin 156.73
    diglyme 977.51
    acrylic acid 434.57
    isopropyl myristate 136.29
    n-butyric acid 759.9
    acetyl acetate 687.09
    di(2-ethylhexyl) phthalate 146.12
    ethyl propionate 612.76
    nitromethane 1638.73
    1,2-diethoxyethane 624.79
    benzonitrile 645.14
    trioctyl phosphate 92.97
    1-bromopropane 1820.27
    gamma-valerolactone 2433.98
    n-decanol 58.86
    triethyl phosphate 196.92
    4-methyl-2-pentanol 193.0
    propionitrile 728.41
    vinylene carbonate 881.36
    1,1,2-trichlorotrifluoroethane 1446.12
    DMS 530.13
    cumene 154.69
    2-octanol 76.14
    2-hexanone 733.81
    octyl acetate 180.65
    limonene 184.51
    1,2-dimethoxyethane 979.23
    ethyl orthosilicate 184.79
    tributyl phosphate 136.5
    diacetone alcohol 711.74
    N,N-dimethylaniline 376.48
    acrylonitrile 905.02
    aniline 911.45
    1,3-propanediol 290.93
    bromobenzene 1642.73
    dibromomethane 3195.77
    1,1,2,2-tetrachloroethane 5183.48
    2-methyl-cyclohexyl acetate 336.26
    tetrabutyl urea 186.35
    diisobutyl methanol 99.79
    2-phenylethanol 356.88
    styrene 466.19
    dioctyl adipate 235.86
    dimethyl sulfate 987.73
    ethyl butyrate 409.77
    methyl lactate 411.06
    butyl lactate 266.36
    diethyl carbonate 268.4
    propanediol butyl ether 229.61
    triethyl orthoformate 257.69
    p-tert-butyltoluene 103.85
    methyl 4-tert-butylbenzoate 367.63
    morpholine 1625.67
    tert-butylamine 290.1
    n-dodecanol 43.9
    dimethoxymethane 1335.42
    ethylene carbonate 777.53
    cyrene 375.4
    2-ethoxyethyl acetate 596.87
    2-ethylhexyl acetate 428.5
    1,2,4-trichlorobenzene 1367.98
    4-methylpyridine 1730.36
    dibutyl ether 191.11
    2,6-dimethyl-4-heptanol 99.79
    DEF 1563.87
    dimethyl isosorbide 698.88
    tetrachloroethylene 2562.22
    eugenol 323.97
    triacetin 440.49
    span 80 250.78
    1,4-butanediol 120.31
    1,1-dichloroethane 3430.82
    2-methyl-1-pentanol 369.68
    methyl formate 565.35
    2-methyl-1-butanol 513.76
    n-decane 9.97
    butyronitrile 670.84
    3,7-dimethyl-1-octanol 119.29
    1-chlorooctane 94.56
    1-chlorotetradecane 32.98
    n-nonane 9.22
    undecane 7.3
    tert-butylcyclohexane 41.56
    cyclooctane 26.82
    cyclopentanol 674.49
    tetrahydropyran 1620.64
    tert-amyl methyl ether 588.16
    2,5,8-trioxanonane 549.3
    1-hexene 276.69
    2-isopropoxyethanol 371.51
    2,2,2-trifluoroethanol 242.1
    methyl butyrate 825.49

    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