2,4-Pentadienal

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  • Identifiers

    CAS number
    764-40-9

    Molecular formula
    C5H6O

    SMILES
    C=C/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.82%
    Green 80.23%
    Pungent 77.85%
    Spicy 71.14%
    Sharp 50.65%
    Almond 42.98%
    Herbal 40.65%
    Aldehydic 39.99%
    Cherry 38.9%
    Nutty 36.2%

     

    Flavor
    Pungent 32.81%
    Cherry 32.06%
    Sweet 30.51%
    Cinnamon 29.9%
    Spicy 26.78%
    Almond 26.78%
    Mustard 24.5%
    Floral 23.71%
    Red hots 23.22%
    Formyl 21.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.12 (neutral)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    133°C

    Flash point

    • 15.09 ˚C est.

    Solubility expt.

    • Soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2,4-PENTADIENAL
    • 2,4-Pentadienal [FHFI]
    • 2,4-Pentadienal, (2E)-
    • UNII-XVX50AC1J0
    • XVX50AC1J0
    • 764-40-9
    • DTXSID4061092
    • (2Z)-penta-2,4-dienal
    • NSC 65074
    • RefChem:82635
    • DTXCID0047878
    • 1,3-Pentadien-5-al
    • PPXGQLMPUIVFRE-ONEGZZNKSA-N
    • (2E)-penta-2,4-dienal
    • (E)-2,4-pentadienal
    • trans-2,4-pentadienal
    • 2,4-Pentadien-1-al
    • (E)-Penta-2,4-dienal
    • 20432-40-0
    • 2,4-Pentadienal, (E)-
    • FEMA No. 3217
    • (2E)-2,4-Pentadienal
    • SCHEMBL413716
    • SCHEMBL910458
    • SCHEMBL8206020
    • Q27294021
    • 2,4-Pentadienal

  • Applications

    2,4-Pentadienal (CAS 764-40-9) is an unsaturated aldehyde used primarily as an odorant and fragrance-building block in perfumery, contributing green, aldehydic notes; it is also regarded as a flavor precursor in flavor formulations. In cosmetics and personal care, it may be included as a fragrance ingredient in formulations under regulatory controls. In industrial manufacturing, it serves as a reactive intermediate for the synthesis of other fragrance and flavor compounds and related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.97
    methanol 424.18
    isopropanol 179.58
    water 1.14
    ethyl acetate 295.71
    n-propanol 223.9
    acetone 351.85
    n-butanol 193.78
    acetonitrile 284.36
    DMF 740.64
    toluene 96.19
    isobutanol 133.82
    1,4-dioxane 394.27
    methyl acetate 309.12
    THF 448.36
    2-butanone 274.97
    n-pentanol 140.46
    sec-butanol 153.78
    n-hexane 43.19
    ethylene glycol 112.79
    NMP 463.87
    cyclohexane 52.56
    DMSO 609.31
    n-butyl acetate 252.48
    n-octanol 102.07
    chloroform 368.07
    n-propyl acetate 177.95
    acetic acid 315.04
    dichloromethane 342.13
    cyclohexanone 292.3
    propylene glycol 104.63
    isopropyl acetate 127.82
    DMAc 420.43
    2-ethoxyethanol 198.73
    isopentanol 140.88
    n-heptane 44.05
    ethyl formate 174.25
    1,2-dichloroethane 286.21
    n-hexanol 205.19
    2-methoxyethanol 393.28
    isobutyl acetate 107.42
    tetrachloromethane 72.77
    n-pentyl acetate 113.54
    transcutol 1017.98
    n-heptanol 80.65
    ethylbenzene 66.87
    MIBK 122.04
    2-propoxyethanol 301.18
    tert-butanol 201.94
    MTBE 154.94
    2-butoxyethanol 154.18
    propionic acid 242.52
    o-xylene 77.05
    formic acid 111.3
    diethyl ether 221.0
    m-xylene 75.56
    p-xylene 75.67
    chlorobenzene 155.98
    dimethyl carbonate 112.66
    n-octane 15.53
    formamide 154.59
    cyclopentanone 360.84
    2-pentanone 224.05
    anisole 155.81
    cyclopentyl methyl ether 195.5
    gamma-butyrolactone 425.98
    1-methoxy-2-propanol 271.96
    pyridine 307.37
    3-pentanone 162.64
    furfural 386.17
    n-dodecane 13.96
    diethylene glycol 259.65
    diisopropyl ether 63.38
    tert-amyl alcohol 159.37
    acetylacetone 247.67
    n-hexadecane 15.69
    acetophenone 153.27
    methyl propionate 240.97
    isopentyl acetate 175.91
    trichloroethylene 460.63
    n-nonanol 90.43
    cyclohexanol 147.66
    benzyl alcohol 108.82
    2-ethylhexanol 127.26
    isooctanol 65.93
    dipropyl ether 164.66
    1,2-dichlorobenzene 149.84
    ethyl lactate 99.35
    propylene carbonate 229.86
    n-methylformamide 324.49
    2-pentanol 129.19
    n-pentane 36.96
    1-propoxy-2-propanol 241.46
    1-methoxy-2-propyl acetate 211.17
    2-(2-methoxypropoxy) propanol 216.73
    mesitylene 53.78
    ε-caprolactone 249.76
    p-cymene 60.03
    epichlorohydrin 375.74
    1,1,1-trichloroethane 236.14
    2-aminoethanol 168.18
    morpholine-4-carbaldehyde 457.88
    sulfolane 441.03
    2,2,4-trimethylpentane 18.35
    2-methyltetrahydrofuran 282.48
    n-hexyl acetate 180.09
    isooctane 16.43
    2-(2-butoxyethoxy)ethanol 294.23
    sec-butyl acetate 105.31
    tert-butyl acetate 142.49
    decalin 29.4
    glycerin 140.58
    diglyme 516.46
    acrylic acid 212.34
    isopropyl myristate 80.91
    n-butyric acid 259.38
    acetyl acetate 163.87
    di(2-ethylhexyl) phthalate 72.83
    ethyl propionate 158.28
    nitromethane 524.74
    1,2-diethoxyethane 292.45
    benzonitrile 173.15
    trioctyl phosphate 55.98
    1-bromopropane 180.37
    gamma-valerolactone 422.15
    n-decanol 70.61
    triethyl phosphate 75.49
    4-methyl-2-pentanol 75.63
    propionitrile 223.11
    vinylene carbonate 226.95
    1,1,2-trichlorotrifluoroethane 292.79
    DMS 188.16
    cumene 50.23
    2-octanol 56.81
    2-hexanone 169.39
    octyl acetate 100.94
    limonene 89.67
    1,2-dimethoxyethane 372.81
    ethyl orthosilicate 71.54
    tributyl phosphate 73.47
    diacetone alcohol 186.4
    N,N-dimethylaniline 110.04
    acrylonitrile 290.42
    aniline 128.25
    1,3-propanediol 190.17
    bromobenzene 155.08
    dibromomethane 252.08
    1,1,2,2-tetrachloroethane 345.17
    2-methyl-cyclohexyl acetate 114.53
    tetrabutyl urea 108.5
    diisobutyl methanol 80.32
    2-phenylethanol 136.01
    styrene 93.18
    dioctyl adipate 119.25
    dimethyl sulfate 174.89
    ethyl butyrate 171.75
    methyl lactate 137.9
    butyl lactate 113.9
    diethyl carbonate 122.07
    propanediol butyl ether 167.25
    triethyl orthoformate 109.52
    p-tert-butyltoluene 57.84
    methyl 4-tert-butylbenzoate 125.42
    morpholine 423.44
    tert-butylamine 132.73
    n-dodecanol 57.27
    dimethoxymethane 328.48
    ethylene carbonate 164.99
    cyrene 130.23
    2-ethoxyethyl acetate 182.2
    2-ethylhexyl acetate 136.65
    1,2,4-trichlorobenzene 163.76
    4-methylpyridine 269.22
    dibutyl ether 141.96
    2,6-dimethyl-4-heptanol 80.32
    DEF 317.06
    dimethyl isosorbide 283.26
    tetrachloroethylene 245.59
    eugenol 150.13
    triacetin 183.03
    span 80 175.72
    1,4-butanediol 85.17
    1,1-dichloroethane 252.52
    2-methyl-1-pentanol 115.02
    methyl formate 237.7
    2-methyl-1-butanol 134.41
    n-decane 20.93
    butyronitrile 192.96
    3,7-dimethyl-1-octanol 106.7
    1-chlorooctane 73.92
    1-chlorotetradecane 34.89
    n-nonane 21.08
    undecane 16.61
    tert-butylcyclohexane 28.81
    cyclooctane 19.9
    cyclopentanol 157.77
    tetrahydropyran 319.74
    tert-amyl methyl ether 128.59
    2,5,8-trioxanonane 389.34
    1-hexene 114.67
    2-isopropoxyethanol 139.83
    2,2,2-trifluoroethanol 92.08
    methyl butyrate 211.88

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
2,4-Dienals should not be used as a fragrance ingredient.