4-Methyl-3-heptanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6137-11-7

    Molecular formula
    C8H16O

    SMILES
    CCCC(C)C(=O)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 88.08%
    Herbal 75.23%
    Ketonic 54.69%
    Green 48.9%
    Cheesy 46.29%
    Fresh 41.32%
    Sweet 36.72%
    Mint 36.25%
    Oily 34.27%
    Ethereal 32.96%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    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 est.
    44.85 ˚C

  • Synonyms

    • 4-METHYL-3-HEPTANONE
    • 4-methylheptan-3-one
    • 6137-11-7
    • 3-Heptanone, 4-methyl-
    • DTXSID20884228
    • 4-methyl-3-heptenone
    • ethyl 1-methylbutyl ketone
    • A4JK9GW89J
    • SCHEMBL268557
    • FEMA NO. 4966
    • FEMA 4966
    • CHEBI:195232
    • DTXCID901006076
    • 4-Methylheptan-3-one, (+/-)-
    • LMFA12000031
    • MFCD00039949
    • AKOS012857284
    • EN300-99015
    • Z1138187109
    • 612-136-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3934.96
    methanol 4785.67
    isopropanol 3287.69
    water 4.69
    ethyl acetate 1656.21
    n-propanol 2973.69
    acetone 2114.71
    n-butanol 2767.11
    acetonitrile 3075.24
    DMF 1708.4
    toluene 1054.96
    isobutanol 2332.87
    1,4-dioxane 3010.87
    methyl acetate 1529.86
    THF 2978.58
    2-butanone 1975.6
    n-pentanol 2012.16
    sec-butanol 2798.09
    n-hexane 924.69
    ethylene glycol 411.18
    NMP 1711.48
    cyclohexane 1003.65
    DMSO 1428.52
    n-butyl acetate 2941.5
    n-octanol 1544.73
    chloroform 7960.68
    n-propyl acetate 1523.14
    acetic acid 2085.91
    dichloromethane 6432.14
    cyclohexanone 3015.4
    propylene glycol 619.64
    isopropyl acetate 1030.44
    DMAc 1229.51
    2-ethoxyethanol 1579.21
    isopentanol 2339.38
    n-heptane 698.33
    ethyl formate 1674.49
    1,2-dichloroethane 2827.82
    n-hexanol 2796.57
    2-methoxyethanol 2214.8
    isobutyl acetate 942.22
    tetrachloromethane 1740.33
    n-pentyl acetate 1719.18
    transcutol 3681.41
    n-heptanol 1464.23
    ethylbenzene 844.52
    MIBK 945.65
    2-propoxyethanol 2456.43
    tert-butanol 3141.82
    MTBE 2329.06
    2-butoxyethanol 1679.98
    propionic acid 1708.61
    o-xylene 704.75
    formic acid 610.78
    diethyl ether 2086.05
    m-xylene 675.35
    p-xylene 1141.44
    chlorobenzene 2079.6
    dimethyl carbonate 290.98
    n-octane 292.59
    formamide 733.5
    cyclopentanone 2316.73
    2-pentanone 1473.79
    anisole 1303.28
    cyclopentyl methyl ether 1432.48
    gamma-butyrolactone 2399.97
    1-methoxy-2-propanol 1445.86
    pyridine 2989.88
    3-pentanone 965.47
    furfural 2424.17
    n-dodecane 199.84
    diethylene glycol 1147.45
    diisopropyl ether 666.19
    tert-amyl alcohol 2540.92
    acetylacetone 1080.06
    n-hexadecane 220.03
    acetophenone 1121.36
    methyl propionate 882.06
    isopentyl acetate 2351.33
    trichloroethylene 5286.28
    n-nonanol 1223.95
    cyclohexanol 2242.58
    benzyl alcohol 1133.69
    2-ethylhexanol 1789.69
    isooctanol 1134.14
    dipropyl ether 1502.12
    1,2-dichlorobenzene 1754.09
    ethyl lactate 525.93
    propylene carbonate 1678.68
    n-methylformamide 1325.18
    2-pentanol 1867.62
    n-pentane 687.69
    1-propoxy-2-propanol 1850.76
    1-methoxy-2-propyl acetate 1157.03
    2-(2-methoxypropoxy) propanol 974.31
    mesitylene 459.08
    ε-caprolactone 2522.11
    p-cymene 741.35
    epichlorohydrin 2958.01
    1,1,1-trichloroethane 3247.95
    2-aminoethanol 1083.7
    morpholine-4-carbaldehyde 1922.9
    sulfolane 2090.71
    2,2,4-trimethylpentane 307.94
    2-methyltetrahydrofuran 2952.47
    n-hexyl acetate 2085.89
    isooctane 256.77
    2-(2-butoxyethoxy)ethanol 1440.93
    sec-butyl acetate 950.35
    tert-butyl acetate 977.63
    decalin 398.03
    glycerin 646.5
    diglyme 2506.26
    acrylic acid 1238.49
    isopropyl myristate 674.67
    n-butyric acid 2512.35
    acetyl acetate 795.5
    di(2-ethylhexyl) phthalate 551.89
    ethyl propionate 981.27
    nitromethane 2230.0
    1,2-diethoxyethane 1905.21
    benzonitrile 2463.62
    trioctyl phosphate 457.36
    1-bromopropane 2471.83
    gamma-valerolactone 2907.15
    n-decanol 809.85
    triethyl phosphate 523.22
    4-methyl-2-pentanol 1014.62
    propionitrile 2422.04
    vinylene carbonate 1689.54
    1,1,2-trichlorotrifluoroethane 1742.11
    DMS 771.91
    cumene 634.53
    2-octanol 1176.98
    2-hexanone 1737.75
    octyl acetate 849.7
    limonene 1139.5
    1,2-dimethoxyethane 2714.83
    ethyl orthosilicate 547.43
    tributyl phosphate 571.76
    diacetone alcohol 972.0
    N,N-dimethylaniline 819.35
    acrylonitrile 2454.62
    aniline 1340.53
    1,3-propanediol 1634.57
    bromobenzene 2227.29
    dibromomethane 4643.03
    1,1,2,2-tetrachloroethane 4024.44
    2-methyl-cyclohexyl acetate 1068.92
    tetrabutyl urea 692.59
    diisobutyl methanol 871.01
    2-phenylethanol 1333.86
    styrene 1139.58
    dioctyl adipate 791.27
    dimethyl sulfate 393.26
    ethyl butyrate 1598.42
    methyl lactate 432.82
    butyl lactate 1007.91
    diethyl carbonate 927.26
    propanediol butyl ether 1308.54
    triethyl orthoformate 971.53
    p-tert-butyltoluene 652.46
    methyl 4-tert-butylbenzoate 866.27
    morpholine 3409.05
    tert-butylamine 2506.28
    n-dodecanol 579.45
    dimethoxymethane 958.64
    ethylene carbonate 1454.16
    cyrene 657.92
    2-ethoxyethyl acetate 1396.23
    2-ethylhexyl acetate 1802.62
    1,2,4-trichlorobenzene 1756.41
    4-methylpyridine 3084.11
    dibutyl ether 1689.93
    2,6-dimethyl-4-heptanol 871.01
    DEF 1553.25
    dimethyl isosorbide 1347.15
    tetrachloroethylene 3005.37
    eugenol 940.01
    triacetin 1007.4
    span 80 1037.87
    1,4-butanediol 791.98
    1,1-dichloroethane 3756.06
    2-methyl-1-pentanol 1775.96
    methyl formate 934.36
    2-methyl-1-butanol 2122.23
    n-decane 372.7
    butyronitrile 3188.59
    3,7-dimethyl-1-octanol 1308.18
    1-chlorooctane 1140.0
    1-chlorotetradecane 395.05
    n-nonane 406.98
    undecane 257.78
    tert-butylcyclohexane 429.67
    cyclooctane 285.59
    cyclopentanol 2100.64
    tetrahydropyran 3306.38
    tert-amyl methyl ether 1419.5
    2,5,8-trioxanonane 1409.7
    1-hexene 2029.67
    2-isopropoxyethanol 1173.42
    2,2,2-trifluoroethanol 478.73
    methyl butyrate 1689.37

    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

Botanical

Name CAS Botanical Proportion
Samurai orchid (Neofinetia) Neofinetia falcata, fam. Orchidaceae 0.01%