2-Hepten-4-one

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  • Identifiers

    CAS number
    32397-56-1

    Molecular formula
    C7H12O

    SMILES
    CCCC(=O)/C=C/C

  • Odor profile

    Fragrance
    Sweet 59.55%
    Pungent 59.54%
    Fruity 58.0%
    Earthy 57.5%
    Green 57.0%
    Metallic 54.35%
    Herbal 50.4%
    Spicy 48.49%
    Vegetable 47.34%
    Nutty 46.75%

     

    Flavor
    Ethereal 44.07%
    Pungent 37.72%
    Fruity 36.93%
    Sweet 32.62%
    Caramel 27.75%
    Butter 27.29%
    Cheese 26.62%
    Nutty 24.63%
    Spicy 23.96%
    Nut 23.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.42 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 156.00 to 157.00 °C. @ 760.00 mm Hg

    Flash point

    • 38.3 ˚C est.

    Solubility expt.

    • slightly
    • slightly soluble in water; soluble in oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-HEPTEN-4-ONE
    • (E)-2-Hepten-4-one
    • 32397-56-1
    • FEMA No. 3399
    • 2-Hepten-4-one, (2E)-
    • 2Hepten4one
    • (E)-hept-2-en-4-one
    • 2-Hepten-4-one, (E)-
    • RSJ7CM9MIK
    • 4643-25-8
    • propenyl propyl ketone
    • UNII-RSJ7CM9MIK
    • EINECS 225-070-1
    • 5-heptadien-4-one
    • (2E)-2-hepten-4-one
    • 5-HEPTEN-4-ONE
    • (2E)-hept-2-en-4-one
    • SCHEMBL531303
    • 1-PROPENYL PROPYL KETONE
    • FEMA 3399
    • DTXSID20885533
    • 2-HEPTEN-4-ONE [FHFI]
    • CHEBI:195658
    • AKOS006292899
    • Q27288266

  • Applications

    2-Hepten-4-one (CAS 32397-56-1) is an alpha, beta-unsaturated ketone primarily used as a fragrance compound and a fragrance intermediate, enabling the synthesis of more complex aroma materials. In the cosmetics and personal care industry, it may be used as a fragrance ingredient or precursor in scent formulations. In household products, it may appear as a fragrance component in cleaners and air fresheners. In industrial manufacturing, it is regarded as a useful intermediate for the synthesis of aroma-related compounds and other related materials. Additionally, it may be considered for applications in coatings and inks as an odorant or additional fragrance constituent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2028.99
    methanol 2413.68
    isopropanol 1604.72
    water 4.68
    ethyl acetate 952.48
    n-propanol 1531.89
    acetone 1600.26
    n-butanol 1515.07
    acetonitrile 1803.5
    DMF 1768.23
    toluene 564.13
    isobutanol 1184.16
    1,4-dioxane 1708.24
    methyl acetate 829.49
    THF 2361.92
    2-butanone 1091.08
    n-pentanol 1135.91
    sec-butanol 1366.35
    n-hexane 895.93
    ethylene glycol 364.22
    NMP 1782.05
    cyclohexane 1057.88
    DMSO 1527.18
    n-butyl acetate 1320.05
    n-octanol 1026.0
    chloroform 4315.37
    n-propyl acetate 753.75
    acetic acid 1788.87
    dichloromethane 3491.07
    cyclohexanone 2049.66
    propylene glycol 517.59
    isopropyl acetate 567.48
    DMAc 971.8
    2-ethoxyethanol 772.1
    isopentanol 1169.52
    n-heptane 709.52
    ethyl formate 856.86
    1,2-dichloroethane 1600.04
    n-hexanol 1743.81
    2-methoxyethanol 1292.26
    isobutyl acetate 468.19
    tetrachloromethane 809.92
    n-pentyl acetate 754.16
    transcutol 2179.51
    n-heptanol 734.98
    ethylbenzene 443.51
    MIBK 579.36
    2-propoxyethanol 1295.15
    tert-butanol 1553.99
    MTBE 911.91
    2-butoxyethanol 725.92
    propionic acid 1234.05
    o-xylene 376.18
    formic acid 456.87
    diethyl ether 1220.53
    m-xylene 402.85
    p-xylene 583.25
    chlorobenzene 1114.98
    dimethyl carbonate 303.97
    n-octane 232.22
    formamide 503.92
    cyclopentanone 1887.47
    2-pentanone 1047.91
    anisole 672.43
    cyclopentyl methyl ether 1202.56
    gamma-butyrolactone 1969.76
    1-methoxy-2-propanol 1025.35
    pyridine 1555.73
    3-pentanone 691.94
    furfural 1478.87
    n-dodecane 174.35
    diethylene glycol 838.21
    diisopropyl ether 390.98
    tert-amyl alcohol 1175.38
    acetylacetone 798.65
    n-hexadecane 191.41
    acetophenone 623.93
    methyl propionate 707.95
    isopentyl acetate 1024.51
    trichloroethylene 2964.01
    n-nonanol 777.07
    cyclohexanol 1510.05
    benzyl alcohol 606.61
    2-ethylhexanol 1027.73
    isooctanol 544.98
    dipropyl ether 1000.11
    1,2-dichlorobenzene 992.65
    ethyl lactate 349.33
    propylene carbonate 1153.98
    n-methylformamide 1032.17
    2-pentanol 1070.61
    n-pentane 664.88
    1-propoxy-2-propanol 1102.13
    1-methoxy-2-propyl acetate 687.43
    2-(2-methoxypropoxy) propanol 682.94
    mesitylene 308.23
    ε-caprolactone 1486.24
    p-cymene 383.88
    epichlorohydrin 1699.42
    1,1,1-trichloroethane 1780.38
    2-aminoethanol 711.37
    morpholine-4-carbaldehyde 1308.47
    sulfolane 2181.01
    2,2,4-trimethylpentane 211.25
    2-methyltetrahydrofuran 1858.49
    n-hexyl acetate 1286.14
    isooctane 192.29
    2-(2-butoxyethoxy)ethanol 913.76
    sec-butyl acetate 427.25
    tert-butyl acetate 555.03
    decalin 324.97
    glycerin 556.7
    diglyme 1395.15
    acrylic acid 1039.77
    isopropyl myristate 488.74
    n-butyric acid 1653.48
    acetyl acetate 518.4
    di(2-ethylhexyl) phthalate 391.46
    ethyl propionate 604.39
    nitromethane 1852.98
    1,2-diethoxyethane 912.08
    benzonitrile 1168.54
    trioctyl phosphate 354.44
    1-bromopropane 1525.51
    gamma-valerolactone 1806.75
    n-decanol 565.45
    triethyl phosphate 338.69
    4-methyl-2-pentanol 500.98
    propionitrile 1293.63
    vinylene carbonate 1084.08
    1,1,2-trichlorotrifluoroethane 1144.7
    DMS 565.57
    cumene 333.21
    2-octanol 623.97
    2-hexanone 915.02
    octyl acetate 640.45
    limonene 678.16
    1,2-dimethoxyethane 1475.95
    ethyl orthosilicate 328.32
    tributyl phosphate 423.93
    diacetone alcohol 625.55
    N,N-dimethylaniline 496.95
    acrylonitrile 1375.54
    aniline 731.18
    1,3-propanediol 899.65
    bromobenzene 1235.96
    dibromomethane 2706.14
    1,1,2,2-tetrachloroethane 2400.96
    2-methyl-cyclohexyl acetate 622.49
    tetrabutyl urea 556.49
    diisobutyl methanol 502.35
    2-phenylethanol 710.48
    styrene 634.51
    dioctyl adipate 617.95
    dimethyl sulfate 475.67
    ethyl butyrate 787.05
    methyl lactate 394.23
    butyl lactate 577.1
    diethyl carbonate 524.92
    propanediol butyl ether 845.32
    triethyl orthoformate 497.28
    p-tert-butyltoluene 357.44
    methyl 4-tert-butylbenzoate 618.17
    morpholine 1870.48
    tert-butylamine 1295.49
    n-dodecanol 443.09
    dimethoxymethane 849.86
    ethylene carbonate 869.23
    cyrene 482.14
    2-ethoxyethyl acetate 644.51
    2-ethylhexyl acetate 803.15
    1,2,4-trichlorobenzene 1002.93
    4-methylpyridine 1480.91
    dibutyl ether 1032.71
    2,6-dimethyl-4-heptanol 502.35
    DEF 1095.76
    dimethyl isosorbide 955.93
    tetrachloroethylene 1631.55
    eugenol 618.96
    triacetin 778.52
    span 80 780.41
    1,4-butanediol 458.17
    1,1-dichloroethane 2053.98
    2-methyl-1-pentanol 929.8
    methyl formate 752.8
    2-methyl-1-butanol 1115.34
    n-decane 296.26
    butyronitrile 1715.17
    3,7-dimethyl-1-octanol 783.29
    1-chlorooctane 766.12
    1-chlorotetradecane 306.87
    n-nonane 343.07
    undecane 216.39
    tert-butylcyclohexane 317.97
    cyclooctane 309.5
    cyclopentanol 1509.53
    tetrahydropyran 2185.8
    tert-amyl methyl ether 680.16
    2,5,8-trioxanonane 992.9
    1-hexene 1507.39
    2-isopropoxyethanol 560.0
    2,2,2-trifluoroethanol 406.87
    methyl butyrate 938.23

    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