4-Ethyl-6-hepten-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    131671-56-2

    Molecular formula
    C9H16O

    SMILES
    CCC(CC=C)C(=O)CC

  • Odor profile

    Fragrance
    Fruity 50.39%
    Herbal 42.52%
    Earthy 33.84%
    Cheesy 33.34%
    Metallic 32.53%
    Fresh 32.1%
    Green 31.6%
    Ketonic 28.63%
    Mushroom 28.06%
    Fatty 25.55%

     

    Flavor
    Fruity 42.65%
    Green 35.18%
    Herbal 30.18%
    Tropical 28.89%
    Oily 27.48%
    Fresh 27.18%
    Floral 24.84%
    Sweet 24.82%
    Spicy 22.97%
    Mushroom 22.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.48 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    172°C

    Flash point

    • 55.52 ˚C est.

  • Synonyms

    • 4-ethyl-6-hepten-3-one
    • 4-Ethylhept-6-en-3-one
    • 131671-56-2
    • 4-ethyl-hept-6-en-3-one
    • SCHEMBL5089340
    • DTXSID90570848
    • SUOMOGSVQCEXBO-UHFFFAOYSA-N
    • AKOS025296276

  • Applications

    4-Ethyl-6-hepten-3-one (CAS 131671-56-2) is primarily used as an odorant in perfumery and fragrance applications, serving as a fragrance ingredient and as a synthetic building block for related aroma compounds; in cosmetics and personal care, it may be added to impart scent in products such as perfumes, shower gels, and moisturizers; it is also employed in industrial manufacturing as an intermediate for the synthesis of other fragrance compounds and may be included in household cleaning products to enhance or neutralize odor; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1278.63
    methanol 1374.66
    isopropanol 1221.73
    water 2.35
    ethyl acetate 794.87
    n-propanol 1194.33
    acetone 1150.95
    n-butanol 1138.77
    acetonitrile 1347.11
    DMF 1245.92
    toluene 612.74
    isobutanol 1070.65
    1,4-dioxane 1479.45
    methyl acetate 832.3
    THF 1688.13
    2-butanone 1116.71
    n-pentanol 907.42
    sec-butanol 1214.54
    n-hexane 412.84
    ethylene glycol 193.43
    NMP 1329.92
    cyclohexane 533.61
    DMSO 1048.77
    n-butyl acetate 1312.65
    n-octanol 766.79
    chloroform 3690.43
    n-propyl acetate 742.1
    acetic acid 791.45
    dichloromethane 3318.7
    cyclohexanone 1806.59
    propylene glycol 298.84
    isopropyl acetate 523.36
    DMAc 912.75
    2-ethoxyethanol 728.36
    isopentanol 1040.0
    n-heptane 330.7
    ethyl formate 819.01
    1,2-dichloroethane 1712.06
    n-hexanol 1288.06
    2-methoxyethanol 970.28
    isobutyl acetate 494.29
    tetrachloromethane 812.17
    n-pentyl acetate 788.91
    transcutol 1965.72
    n-heptanol 660.5
    ethylbenzene 481.92
    MIBK 551.95
    2-propoxyethanol 1127.94
    tert-butanol 1338.78
    MTBE 1049.19
    2-butoxyethanol 761.47
    propionic acid 783.84
    o-xylene 461.79
    formic acid 204.66
    diethyl ether 929.72
    m-xylene 457.81
    p-xylene 623.0
    chlorobenzene 1205.19
    dimethyl carbonate 214.72
    n-octane 149.16
    formamide 298.59
    cyclopentanone 1586.89
    2-pentanone 841.02
    anisole 733.6
    cyclopentyl methyl ether 869.41
    gamma-butyrolactone 1674.01
    1-methoxy-2-propanol 735.8
    pyridine 1544.86
    3-pentanone 632.43
    furfural 1411.29
    n-dodecane 122.43
    diethylene glycol 602.23
    diisopropyl ether 350.18
    tert-amyl alcohol 1132.65
    acetylacetone 692.22
    n-hexadecane 136.78
    acetophenone 691.54
    methyl propionate 545.95
    isopentyl acetate 1089.35
    trichloroethylene 3034.91
    n-nonanol 608.54
    cyclohexanol 1123.74
    benzyl alcohol 618.41
    2-ethylhexanol 825.48
    isooctanol 542.7
    dipropyl ether 721.21
    1,2-dichlorobenzene 1054.98
    ethyl lactate 334.65
    propylene carbonate 1048.88
    n-methylformamide 699.36
    2-pentanol 815.77
    n-pentane 325.84
    1-propoxy-2-propanol 905.61
    1-methoxy-2-propyl acetate 688.46
    2-(2-methoxypropoxy) propanol 620.87
    mesitylene 340.42
    ε-caprolactone 1405.63
    p-cymene 410.57
    epichlorohydrin 1712.51
    1,1,1-trichloroethane 1842.53
    2-aminoethanol 451.16
    morpholine-4-carbaldehyde 1225.13
    sulfolane 1663.12
    2,2,4-trimethylpentane 177.25
    2-methyltetrahydrofuran 1618.65
    n-hexyl acetate 1134.29
    isooctane 149.42
    2-(2-butoxyethoxy)ethanol 818.63
    sec-butyl acetate 472.65
    tert-butyl acetate 551.47
    decalin 237.85
    glycerin 326.37
    diglyme 1345.5
    acrylic acid 614.25
    isopropyl myristate 430.38
    n-butyric acid 1184.0
    acetyl acetate 441.89
    di(2-ethylhexyl) phthalate 347.19
    ethyl propionate 542.43
    nitromethane 1131.84
    1,2-diethoxyethane 928.96
    benzonitrile 1219.27
    trioctyl phosphate 300.97
    1-bromopropane 1366.23
    gamma-valerolactone 1687.78
    n-decanol 427.37
    triethyl phosphate 342.11
    4-methyl-2-pentanol 488.58
    propionitrile 1172.39
    vinylene carbonate 1018.94
    1,1,2-trichlorotrifluoroethane 987.95
    DMS 531.27
    cumene 371.61
    2-octanol 544.86
    2-hexanone 869.44
    octyl acetate 530.36
    limonene 628.78
    1,2-dimethoxyethane 1352.12
    ethyl orthosilicate 337.02
    tributyl phosphate 361.45
    diacetone alcohol 597.05
    N,N-dimethylaniline 503.16
    acrylonitrile 1215.4
    aniline 712.01
    1,3-propanediol 670.87
    bromobenzene 1370.9
    dibromomethane 2426.25
    1,1,2,2-tetrachloroethane 2305.61
    2-methyl-cyclohexyl acetate 633.1
    tetrabutyl urea 462.18
    diisobutyl methanol 448.37
    2-phenylethanol 714.55
    styrene 639.57
    dioctyl adipate 528.14
    dimethyl sulfate 344.71
    ethyl butyrate 818.71
    methyl lactate 295.05
    butyl lactate 550.82
    diethyl carbonate 535.45
    propanediol butyl ether 687.57
    triethyl orthoformate 514.21
    p-tert-butyltoluene 374.83
    methyl 4-tert-butylbenzoate 583.16
    morpholine 1589.63
    tert-butylamine 1053.02
    n-dodecanol 329.38
    dimethoxymethane 611.63
    ethylene carbonate 862.48
    cyrene 475.25
    2-ethoxyethyl acetate 714.0
    2-ethylhexyl acetate 862.49
    1,2,4-trichlorobenzene 1094.53
    4-methylpyridine 1646.6
    dibutyl ether 813.66
    2,6-dimethyl-4-heptanol 448.37
    DEF 910.64
    dimethyl isosorbide 910.3
    tetrachloroethylene 1593.07
    eugenol 571.36
    triacetin 652.66
    span 80 602.55
    1,4-butanediol 369.55
    1,1-dichloroethane 2062.82
    2-methyl-1-pentanol 864.5
    methyl formate 560.63
    2-methyl-1-butanol 1007.43
    n-decane 197.23
    butyronitrile 1467.44
    3,7-dimethyl-1-octanol 638.09
    1-chlorooctane 630.88
    1-chlorotetradecane 248.11
    n-nonane 214.18
    undecane 151.05
    tert-butylcyclohexane 242.95
    cyclooctane 172.23
    cyclopentanol 1125.06
    tetrahydropyran 1662.51
    tert-amyl methyl ether 694.67
    2,5,8-trioxanonane 874.54
    1-hexene 876.07
    2-isopropoxyethanol 583.28
    2,2,2-trifluoroethanol 237.31
    methyl butyrate 890.15

    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