cis-2,4-Pentadienal

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  • Identifiers

    CAS number
    37918-47-1

    Molecular formula
    C5H6O

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

  • 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.
    125°C

    Flash point

    • 15.09 ˚C est.

    Solubility expt.

    • Soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • cis-2,4-Pentadienal
    • (Z)-2,4-Pentadienal
    • 2,4-Pentadienal, (Z)-
    • 2,4-Pentadienal, (2Z)-
    • 1,3-Pentadien-5-al
    • 2,4-PENTADIENAL
    • UNII-YHB99447L8
    • YHB99447L8
    • 37918-47-1
    • (2Z)-penta-2,4-dienal
    • NSC 65074
    • 764-40-9
    • (2Z)-2,4-Pentadienal
    • NSC65074
    • (Z)-Penta-2,4-dienal
    • FEMA 3217
    • NSC-65074
    • Q27294526

  • Applications

    cis-2,4-Pentadienal (CAS 37918-47-1) is primarily used as an intermediate in organic synthesis in industrial manufacturing and as a fragrance ingredient in perfumery, providing green, fresh aldehydic notes. It is also employed in cosmetics/personal care as a fragrance component and in household cleaning products as a scent additive, and can serve as a building block for the synthesis of other fragrance-related chemicals or specialty materials, including use in coatings/inks as an odorant additive.

    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
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