3-Methylheptan-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    15726-15-5

    Molecular formula
    C8H16O

    SMILES
    CCCC(=O)C(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.86%
    Herbal 66.43%
    Ketonic 59.22%
    Green 55.56%
    Cheesy 50.67%
    Sweet 45.78%
    Ethereal 44.83%
    Fatty 35.06%
    Apple 34.75%
    Earthy 34.22%

     

    Flavor
    Fruity 86.59%
    Sweet 62.75%
    Green 61.73%
    Berry 44.23%
    Pineapple 41.02%
    Apple 38.42%
    Tropical 33.89%
    Fruit 29.25%
    Herbal 29.19%
    Ethereal 28.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.92 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 46.14 ˚C est.

  • Synonyms

    • 3-Methylheptan-4-one
    • 3-METHYL-4-HEPTANONE
    • 15726-15-5
    • EINECS 239-820-0
    • DTXSID00864629
    • 3Methyl4heptanone
    • 2Butyl npropyl ketone
    • RefChem:504226
    • DTXCID90813126
    • 239-820-0
    • 4-Heptanone, 3-methyl-
    • MFCD00048721
    • sec-Butyl Propyl Ketone
    • 4-heptanone, 3-methyl
    • SCHEMBL105901
    • SCHEMBL128163
    • SCHEMBL128804
    • SCHEMBL11378383
    • SCHEMBL25402377
    • CHEBI:195862
    • QAA72615
    • LMFA12000026
    • AKOS009157593
    • BS-21567
    • SY054406
    • CS-0205164
    • M1267
    • NS00052105
    • D91475
    • EN300-7148268
    • 15726-15-5

  • Applications

    3-Methylheptan-4-one (CAS 15726-15-5) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing fruity and green notes as an odorant. It is also evaluated for use as a flavor/aroma component in flavor formulations. In addition, it can function as an intermediate in organic synthesis, providing a building block for fragrance or pharmaceutical intermediates. It may be used in household products and cleaning formulations to impart or enhance fragrance. In industrial manufacturing, this compound may serve as a starting material for the synthesis of fragrance-related compounds or as a component in plastics and coatings systems where controlled odor profiles are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3874.34
    methanol 3829.02
    isopropanol 4103.38
    water 5.7
    ethyl acetate 2122.04
    n-propanol 3400.68
    acetone 3239.62
    n-butanol 3069.95
    acetonitrile 4524.63
    DMF 2480.55
    toluene 1311.41
    isobutanol 2969.43
    1,4-dioxane 3948.85
    methyl acetate 2095.04
    THF 4112.27
    2-butanone 2724.9
    n-pentanol 2233.46
    sec-butanol 3681.48
    n-hexane 1478.92
    ethylene glycol 423.47
    NMP 2748.84
    cyclohexane 1681.2
    DMSO 1990.62
    n-butyl acetate 3435.39
    n-octanol 2101.76
    chloroform 11012.43
    n-propyl acetate 1906.28
    acetic acid 2656.15
    dichloromethane 8466.4
    cyclohexanone 4638.89
    propylene glycol 789.21
    isopropyl acetate 1301.07
    DMAc 1664.39
    2-ethoxyethanol 1659.47
    isopentanol 2803.91
    n-heptane 1075.91
    ethyl formate 2154.67
    1,2-dichloroethane 3961.4
    n-hexanol 3196.38
    2-methoxyethanol 2389.57
    isobutyl acetate 1224.21
    tetrachloromethane 2310.25
    n-pentyl acetate 2106.74
    transcutol 4116.33
    n-heptanol 1785.06
    ethylbenzene 1102.86
    MIBK 1280.17
    2-propoxyethanol 2488.6
    tert-butanol 4042.99
    MTBE 2959.59
    2-butoxyethanol 1867.11
    propionic acid 2369.22
    o-xylene 937.86
    formic acid 590.11
    diethyl ether 2616.4
    m-xylene 855.9
    p-xylene 1568.76
    chlorobenzene 2873.55
    dimethyl carbonate 436.69
    n-octane 458.73
    formamide 823.77
    cyclopentanone 3810.7
    2-pentanone 2046.16
    anisole 1600.66
    cyclopentyl methyl ether 2043.59
    gamma-butyrolactone 3852.0
    1-methoxy-2-propanol 1771.97
    pyridine 4148.01
    3-pentanone 1405.82
    furfural 3293.64
    n-dodecane 318.24
    diethylene glycol 1215.24
    diisopropyl ether 888.95
    tert-amyl alcohol 3237.36
    acetylacetone 1554.0
    n-hexadecane 355.59
    acetophenone 1458.41
    methyl propionate 1247.61
    isopentyl acetate 2806.49
    trichloroethylene 7648.24
    n-nonanol 1652.92
    cyclohexanol 3156.38
    benzyl alcohol 1375.63
    2-ethylhexanol 2169.1
    isooctanol 1441.62
    dipropyl ether 1904.24
    1,2-dichlorobenzene 2463.89
    ethyl lactate 700.8
    propylene carbonate 2517.93
    n-methylformamide 1789.86
    2-pentanol 2378.68
    n-pentane 997.22
    1-propoxy-2-propanol 2151.92
    1-methoxy-2-propyl acetate 1379.93
    2-(2-methoxypropoxy) propanol 1170.3
    mesitylene 635.35
    ε-caprolactone 3535.71
    p-cymene 945.7
    epichlorohydrin 3969.11
    1,1,1-trichloroethane 4929.53
    2-aminoethanol 1172.2
    morpholine-4-carbaldehyde 2448.77
    sulfolane 3506.93
    2,2,4-trimethylpentane 447.52
    2-methyltetrahydrofuran 4128.01
    n-hexyl acetate 2855.0
    isooctane 391.95
    2-(2-butoxyethoxy)ethanol 1679.4
    sec-butyl acetate 1155.65
    tert-butyl acetate 1258.89
    decalin 639.06
    glycerin 782.91
    diglyme 2866.98
    acrylic acid 1769.95
    isopropyl myristate 1008.67
    n-butyric acid 3318.74
    acetyl acetate 1077.5
    di(2-ethylhexyl) phthalate 707.8
    ethyl propionate 1286.43
    nitromethane 3287.12
    1,2-diethoxyethane 2104.49
    benzonitrile 3178.47
    trioctyl phosphate 646.72
    1-bromopropane 3554.46
    gamma-valerolactone 3966.76
    n-decanol 1114.85
    triethyl phosphate 698.89
    4-methyl-2-pentanol 1234.84
    propionitrile 3490.62
    vinylene carbonate 2395.9
    1,1,2-trichlorotrifluoroethane 2355.82
    DMS 1074.57
    cumene 833.52
    2-octanol 1584.28
    2-hexanone 2246.15
    octyl acetate 1234.14
    limonene 1484.26
    1,2-dimethoxyethane 3220.74
    ethyl orthosilicate 695.59
    tributyl phosphate 785.09
    diacetone alcohol 1283.02
    N,N-dimethylaniline 1022.53
    acrylonitrile 3475.06
    aniline 1715.18
    1,3-propanediol 1781.51
    bromobenzene 3128.31
    dibromomethane 6225.26
    1,1,2,2-tetrachloroethane 6008.34
    2-methyl-cyclohexyl acetate 1355.27
    tetrabutyl urea 965.23
    diisobutyl methanol 1133.65
    2-phenylethanol 1545.81
    styrene 1484.94
    dioctyl adipate 1121.35
    dimethyl sulfate 630.61
    ethyl butyrate 1925.71
    methyl lactate 616.43
    butyl lactate 1319.75
    diethyl carbonate 1161.73
    propanediol butyl ether 1680.41
    triethyl orthoformate 1181.07
    p-tert-butyltoluene 825.39
    methyl 4-tert-butylbenzoate 1188.86
    morpholine 4234.72
    tert-butylamine 3261.97
    n-dodecanol 824.84
    dimethoxymethane 1175.18
    ethylene carbonate 2055.03
    cyrene 834.39
    2-ethoxyethyl acetate 1564.24
    2-ethylhexyl acetate 2101.74
    1,2,4-trichlorobenzene 2557.85
    4-methylpyridine 4074.2
    dibutyl ether 2232.32
    2,6-dimethyl-4-heptanol 1133.65
    DEF 2038.93
    dimethyl isosorbide 1697.62
    tetrachloroethylene 4147.59
    eugenol 1195.83
    triacetin 1409.73
    span 80 1392.07
    1,4-butanediol 852.3
    1,1-dichloroethane 5555.84
    2-methyl-1-pentanol 2123.28
    methyl formate 1337.32
    2-methyl-1-butanol 2674.52
    n-decane 578.91
    butyronitrile 4268.73
    3,7-dimethyl-1-octanol 1755.43
    1-chlorooctane 1671.03
    1-chlorotetradecane 603.03
    n-nonane 653.46
    undecane 411.11
    tert-butylcyclohexane 653.8
    cyclooctane 480.72
    cyclopentanol 3054.08
    tetrahydropyran 4569.99
    tert-amyl methyl ether 1744.88
    2,5,8-trioxanonane 1648.39
    1-hexene 2825.03
    2-isopropoxyethanol 1284.45
    2,2,2-trifluoroethanol 647.71
    methyl butyrate 2203.79

    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