4-Methyl-4E-hepten-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22319-31-9

    Molecular formula
    C8H14O

    SMILES
    CC/C=C(\C)/C(=O)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.98%
    Green 62.4%
    Herbal 53.71%
    Ketonic 47.72%
    Cheesy 44.05%
    Sweet 39.21%
    Ethereal 36.56%
    Earthy 36.36%
    Fatty 36.04%
    Apple 35.23%

     

    Flavor
    Green 44.58%
    Herbal 42.39%
    Spicy 38.66%
    Fruity 37.67%
    Nutty 29.9%
    Earthy 28.93%
    Herb 28.56%
    Woody 26.52%
    Berry 25.43%
    Pungent 25.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.16 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 49.16 ˚C est.

  • Synonyms

    • 4-Methyl-4E-hepten-3-one
    • RefChem:1071110
    • 4-METHYL-4-HEPTEN-3-ONE
    • (E)-4-methylhept-4-en-3-one
    • 22319-31-9
    • 4-Hepten-3-one, 4-methyl-
    • (4E)-4-METHYLHEPT-4-EN-3-ONE
    • SCHEMBL5027289
    • BDBHRHLQMIKKIB-VOTSOKGWSA-N
    • CHEBI:195686
    • DTXSID001009378
    • LMFA12000095
    • (4E)-4-Methyl-4-hepten-3-one #
    • 27771-19-3
    • 22319-31-9

  • Applications

    4-Methyl-4E-hepten-3-one is primarily used as a fragrance ingredient and odorant in the fragrance industry, contributing green, fresh, or fruity notes in perfumes. It is commonly evaluated as an intermediate in the synthesis of other aroma chemicals for perfumery and cosmetics. In cosmetics/personal care and household products, it may be included as a scent component within formulations. In industrial manufacturing, it can serve as a chemical intermediate for the synthesis of other aroma compounds and may be used in coatings and inks to impart fragrance. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2455.98
    methanol 2864.75
    isopropanol 2227.03
    water 7.9
    ethyl acetate 1377.45
    n-propanol 2106.79
    acetone 1741.92
    n-butanol 2131.36
    acetonitrile 2637.29
    DMF 1885.46
    toluene 1095.42
    isobutanol 1753.15
    1,4-dioxane 2655.94
    methyl acetate 1395.62
    THF 2370.48
    2-butanone 1706.32
    n-pentanol 1671.03
    sec-butanol 2157.46
    n-hexane 941.43
    ethylene glycol 360.93
    NMP 1868.78
    cyclohexane 1024.71
    DMSO 1388.49
    n-butyl acetate 1995.21
    n-octanol 1419.84
    chloroform 6592.44
    n-propyl acetate 1226.38
    acetic acid 1400.7
    dichloromethane 6062.1
    cyclohexanone 2522.29
    propylene glycol 472.72
    isopropyl acetate 827.96
    DMAc 1371.94
    2-ethoxyethanol 1406.34
    isopentanol 1769.32
    n-heptane 720.89
    ethyl formate 1433.61
    1,2-dichloroethane 2946.23
    n-hexanol 2027.65
    2-methoxyethanol 1807.58
    isobutyl acetate 748.35
    tetrachloromethane 1824.08
    n-pentyl acetate 1410.51
    transcutol 2910.94
    n-heptanol 1218.46
    ethylbenzene 911.72
    MIBK 847.88
    2-propoxyethanol 1798.55
    tert-butanol 2343.65
    MTBE 1843.31
    2-butoxyethanol 1378.15
    propionic acid 1301.94
    o-xylene 770.41
    formic acid 480.83
    diethyl ether 1927.9
    m-xylene 730.47
    p-xylene 1208.44
    chlorobenzene 1910.7
    dimethyl carbonate 381.27
    n-octane 335.16
    formamide 725.76
    cyclopentanone 2120.66
    2-pentanone 1370.82
    anisole 1308.22
    cyclopentyl methyl ether 1352.53
    gamma-butyrolactone 2236.59
    1-methoxy-2-propanol 1218.65
    pyridine 2565.96
    3-pentanone 1054.09
    furfural 2141.0
    n-dodecane 227.13
    diethylene glycol 926.85
    diisopropyl ether 643.49
    tert-amyl alcohol 2058.14
    acetylacetone 1011.42
    n-hexadecane 252.81
    acetophenone 1113.15
    methyl propionate 897.07
    isopentyl acetate 1509.07
    trichloroethylene 5198.75
    n-nonanol 1111.66
    cyclohexanol 1752.13
    benzyl alcohol 1061.39
    2-ethylhexanol 1421.24
    isooctanol 977.74
    dipropyl ether 1273.99
    1,2-dichlorobenzene 1762.51
    ethyl lactate 503.72
    propylene carbonate 1430.45
    n-methylformamide 1311.74
    2-pentanol 1503.71
    n-pentane 748.25
    1-propoxy-2-propanol 1385.08
    1-methoxy-2-propyl acetate 890.22
    2-(2-methoxypropoxy) propanol 863.72
    mesitylene 502.86
    ε-caprolactone 2090.62
    p-cymene 728.92
    epichlorohydrin 2661.46
    1,1,1-trichloroethane 3154.21
    2-aminoethanol 867.92
    morpholine-4-carbaldehyde 1921.48
    sulfolane 2110.79
    2,2,4-trimethylpentane 334.53
    2-methyltetrahydrofuran 2404.71
    n-hexyl acetate 1894.14
    isooctane 262.23
    2-(2-butoxyethoxy)ethanol 1216.89
    sec-butyl acetate 787.12
    tert-butyl acetate 847.53
    decalin 435.72
    glycerin 503.48
    diglyme 2213.72
    acrylic acid 1018.65
    isopropyl myristate 655.78
    n-butyric acid 1842.92
    acetyl acetate 708.23
    di(2-ethylhexyl) phthalate 501.29
    ethyl propionate 943.31
    nitromethane 1918.97
    1,2-diethoxyethane 1609.07
    benzonitrile 2057.33
    trioctyl phosphate 436.21
    1-bromopropane 2418.05
    gamma-valerolactone 2447.11
    n-decanol 778.36
    triethyl phosphate 519.4
    4-methyl-2-pentanol 808.71
    propionitrile 2192.45
    vinylene carbonate 1556.83
    1,1,2-trichlorotrifluoroethane 1530.56
    DMS 790.23
    cumene 687.46
    2-octanol 1027.83
    2-hexanone 1465.17
    octyl acetate 829.2
    limonene 1058.58
    1,2-dimethoxyethane 2368.91
    ethyl orthosilicate 535.3
    tributyl phosphate 534.76
    diacetone alcohol 853.82
    N,N-dimethylaniline 919.74
    acrylonitrile 2303.02
    aniline 1246.81
    1,3-propanediol 1240.03
    bromobenzene 2143.69
    dibromomethane 4384.28
    1,1,2,2-tetrachloroethane 3909.2
    2-methyl-cyclohexyl acetate 901.88
    tetrabutyl urea 687.55
    diisobutyl methanol 679.42
    2-phenylethanol 1117.21
    styrene 1197.38
    dioctyl adipate 754.19
    dimethyl sulfate 523.83
    ethyl butyrate 1281.65
    methyl lactate 435.77
    butyl lactate 828.71
    diethyl carbonate 875.08
    propanediol butyl ether 1030.4
    triethyl orthoformate 811.56
    p-tert-butyltoluene 645.64
    methyl 4-tert-butylbenzoate 863.97
    morpholine 2680.62
    tert-butylamine 1992.79
    n-dodecanol 579.84
    dimethoxymethane 1072.61
    ethylene carbonate 1260.7
    cyrene 627.72
    2-ethoxyethyl acetate 1196.42
    2-ethylhexyl acetate 1261.47
    1,2,4-trichlorobenzene 1708.72
    4-methylpyridine 2735.86
    dibutyl ether 1462.42
    2,6-dimethyl-4-heptanol 679.42
    DEF 1559.33
    dimethyl isosorbide 1198.27
    tetrachloroethylene 2874.13
    eugenol 895.71
    triacetin 939.26
    span 80 860.72
    1,4-butanediol 658.1
    1,1-dichloroethane 3539.82
    2-methyl-1-pentanol 1537.51
    methyl formate 951.25
    2-methyl-1-butanol 1765.78
    n-decane 398.98
    butyronitrile 2723.66
    3,7-dimethyl-1-octanol 1104.26
    1-chlorooctane 1157.32
    1-chlorotetradecane 440.7
    n-nonane 455.34
    undecane 286.03
    tert-butylcyclohexane 460.03
    cyclooctane 326.82
    cyclopentanol 1687.4
    tetrahydropyran 2762.46
    tert-amyl methyl ether 1312.78
    2,5,8-trioxanonane 1308.39
    1-hexene 1882.28
    2-isopropoxyethanol 1033.24
    2,2,2-trifluoroethanol 425.2
    methyl butyrate 1480.75

    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