1,4-Pentadien-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1890-28-4

    Molecular formula
    C5H6O

    SMILES
    C=CC(=O)C=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 73.05%
    Radish 43.49%
    Burnt 42.55%
    Alliaceous 41.51%
    Spicy 40.56%
    Sharp 38.09%
    Garlic 37.06%
    Metallic 34.0%
    Onion 32.85%
    Ethereal 31.84%

     

    Flavor
    Mustard 32.0%
    Odorless 28.93%
    Nutty 28.89%
    Pungent 28.42%
    Garlic 22.95%
    Sulfur 22.84%
    Formyl 21.58%
    Matches 21.56%
    Nitrile 21.29%
    Caramellic 21.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.21 (neutral)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    104°C

    Flash point

    • -1.34 ˚C est.

  • Synonyms

    • 1,4-Pentadien-3-one
    • DTXSID60337521
    • RefChem:1053344
    • DTXCID00288609
    • 1890-28-4
    • penta-1,4-dien-3-one
    • DIVINYL KETONE
    • 3-Pentadienone
    • vinyl ketone
    • F5WPQ70H2L
    • J150.179H
    • MFCD09754433
    • UNII-F5WPQ70H2L
    • Pent-1,4-diene-3-one
    • SCHEMBL26681
    • orb1697384
    • SCHEMBL2859859
    • SCHEMBL12119845
    • SCHEMBL16087626
    • AKOS017342870
    • Q27277680
    • 52501-13-0
    • 1890-28-4

  • Applications

    1,4-Pentadien-3-one (CAS 1890-28-4) is primarily used as an organic synthesis intermediate. In perfumery and cosmetics, it is employed as a fragrance-building block or odor precursor for aroma compounds. In industrial manufacturing, it serves as a reactive intermediate for the preparation of specialty chemicals. In polymers and plastics, it may be used as a monomer or functional intermediate for specialty polymers. In coatings and inks, it can act as a reactive intermediate for formulation or crosslinking chemistry. In pharmaceuticals, it is often evaluated as a synthetic intermediate for the construction of more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.44
    methanol 230.02
    isopropanol 90.47
    water 2.52
    ethyl acetate 233.8
    n-propanol 112.63
    acetone 218.95
    n-butanol 108.55
    acetonitrile 280.38
    DMF 293.43
    toluene 101.02
    isobutanol 86.89
    1,4-dioxane 288.34
    methyl acetate 241.22
    THF 362.74
    2-butanone 237.57
    n-pentanol 107.37
    sec-butanol 102.45
    n-hexane 78.66
    ethylene glycol 28.71
    NMP 415.38
    cyclohexane 55.23
    DMSO 283.19
    n-butyl acetate 215.78
    n-octanol 81.2
    chloroform 506.75
    n-propyl acetate 193.43
    acetic acid 174.57
    dichloromethane 586.79
    cyclohexanone 295.62
    propylene glycol 24.21
    isopropyl acetate 132.44
    DMAc 312.91
    2-ethoxyethanol 166.4
    isopentanol 105.28
    n-heptane 46.57
    ethyl formate 164.61
    1,2-dichloroethane 325.46
    n-hexanol 96.09
    2-methoxyethanol 189.08
    isobutyl acetate 107.18
    tetrachloromethane 151.57
    n-pentyl acetate 148.99
    transcutol 656.55
    n-heptanol 59.72
    ethylbenzene 96.15
    MIBK 118.64
    2-propoxyethanol 159.23
    tert-butanol 118.11
    MTBE 168.1
    2-butoxyethanol 106.85
    propionic acid 143.92
    o-xylene 93.39
    formic acid 79.66
    diethyl ether 212.07
    m-xylene 78.63
    p-xylene 136.6
    chlorobenzene 198.09
    dimethyl carbonate 75.59
    n-octane 23.5
    formamide 145.4
    cyclopentanone 347.32
    2-pentanone 184.5
    anisole 190.98
    cyclopentyl methyl ether 193.03
    gamma-butyrolactone 437.7
    1-methoxy-2-propanol 129.59
    pyridine 281.02
    3-pentanone 184.65
    furfural 388.44
    n-dodecane 16.58
    diethylene glycol 95.54
    diisopropyl ether 75.33
    tert-amyl alcohol 134.48
    acetylacetone 204.77
    n-hexadecane 18.73
    acetophenone 196.77
    methyl propionate 175.02
    isopentyl acetate 172.71
    trichloroethylene 561.36
    n-nonanol 74.43
    cyclohexanol 106.81
    benzyl alcohol 118.54
    2-ethylhexanol 88.22
    isooctanol 54.94
    dipropyl ether 134.35
    1,2-dichlorobenzene 220.26
    ethyl lactate 68.76
    propylene carbonate 235.19
    n-methylformamide 174.87
    2-pentanol 87.83
    n-pentane 48.01
    1-propoxy-2-propanol 124.53
    1-methoxy-2-propyl acetate 168.9
    2-(2-methoxypropoxy) propanol 151.73
    mesitylene 61.89
    ε-caprolactone 295.67
    p-cymene 70.42
    epichlorohydrin 415.01
    1,1,1-trichloroethane 317.46
    2-aminoethanol 57.67
    morpholine-4-carbaldehyde 356.39
    sulfolane 420.28
    2,2,4-trimethylpentane 35.38
    2-methyltetrahydrofuran 336.53
    n-hexyl acetate 194.63
    isooctane 21.2
    2-(2-butoxyethoxy)ethanol 193.24
    sec-butyl acetate 126.55
    tert-butyl acetate 146.44
    decalin 45.45
    glycerin 38.06
    diglyme 394.15
    acrylic acid 128.87
    isopropyl myristate 86.0
    n-butyric acid 175.92
    acetyl acetate 156.73
    di(2-ethylhexyl) phthalate 73.65
    ethyl propionate 169.64
    nitromethane 352.37
    1,2-diethoxyethane 320.22
    benzonitrile 221.44
    trioctyl phosphate 54.17
    1-bromopropane 223.63
    gamma-valerolactone 379.96
    n-decanol 55.68
    triethyl phosphate 92.82
    4-methyl-2-pentanol 58.39
    propionitrile 205.58
    vinylene carbonate 218.84
    1,1,2-trichlorotrifluoroethane 211.2
    DMS 183.03
    cumene 76.3
    2-octanol 53.96
    2-hexanone 194.08
    octyl acetate 101.82
    limonene 99.92
    1,2-dimethoxyethane 356.31
    ethyl orthosilicate 92.73
    tributyl phosphate 83.66
    diacetone alcohol 132.79
    N,N-dimethylaniline 139.92
    acrylonitrile 256.49
    aniline 109.05
    1,3-propanediol 82.92
    bromobenzene 208.52
    dibromomethane 402.68
    1,1,2,2-tetrachloroethane 378.98
    2-methyl-cyclohexyl acetate 137.53
    tetrabutyl urea 103.76
    diisobutyl methanol 59.26
    2-phenylethanol 110.7
    styrene 125.33
    dioctyl adipate 123.96
    dimethyl sulfate 122.14
    ethyl butyrate 183.45
    methyl lactate 65.47
    butyl lactate 93.95
    diethyl carbonate 132.93
    propanediol butyl ether 86.78
    triethyl orthoformate 123.89
    p-tert-butyltoluene 62.46
    methyl 4-tert-butylbenzoate 142.64
    morpholine 279.84
    tert-butylamine 95.7
    n-dodecanol 44.55
    dimethoxymethane 183.6
    ethylene carbonate 171.55
    cyrene 127.69
    2-ethoxyethyl acetate 215.47
    2-ethylhexyl acetate 158.56
    1,2,4-trichlorobenzene 229.18
    4-methylpyridine 278.02
    dibutyl ether 159.8
    2,6-dimethyl-4-heptanol 59.26
    DEF 254.34
    dimethyl isosorbide 289.11
    tetrachloroethylene 310.45
    eugenol 139.62
    triacetin 192.64
    span 80 118.29
    1,4-butanediol 45.08
    1,1-dichloroethane 298.22
    2-methyl-1-pentanol 115.48
    methyl formate 141.58
    2-methyl-1-butanol 107.08
    n-decane 27.29
    butyronitrile 197.79
    3,7-dimethyl-1-octanol 89.83
    1-chlorooctane 83.7
    1-chlorotetradecane 36.76
    n-nonane 27.96
    undecane 20.66
    tert-butylcyclohexane 46.18
    cyclooctane 26.61
    cyclopentanol 119.92
    tetrahydropyran 240.25
    tert-amyl methyl ether 164.27
    2,5,8-trioxanonane 277.38
    1-hexene 150.95
    2-isopropoxyethanol 119.97
    2,2,2-trifluoroethanol 84.92
    methyl butyrate 225.76

    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