4-Methylhexan-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    17042-16-9

    Molecular formula
    C7H14O

    SMILES
    CCC(C)C(=O)CC

    Retention indicies (RI)

    • Carbowax: 1079.0

  • Odor profile

    Fruity 93.6%
    Ketonic 66.1%
    Herbal 61.87%
    Ethereal 55.09%
    Cheesy 54.06%
    Green 45.18%
    Fermented 35.59%
    Fresh 35.47%
    Sweet 34.87%
    Pungent 33.1%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Flash point est.
    29.22 ˚C

  • Synonyms

    • 4-Methylhexan-3-one
    • 4-Methyl-3-hexanone
    • 17042-16-9
    • 3-Hexanone, 4-methyl-
    • sec-butyl ethyl ketone
    • Ethyl sec-butyl ketone
    • EINECS 241-111-6
    • DTXSID70871269
    • SCHEMBL268198
    • DTXCID00818940
    • CHEBI:195746
    • LMFA12000032
    • MFCD00027051
    • AKOS012858752
    • DB-043819
    • NS00055109
    • 241-111-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3520.76
    methanol 4811.16
    isopropanol 2834.37
    water 16.13
    ethyl acetate 1831.0
    n-propanol 2739.57
    acetone 2599.27
    n-butanol 2550.24
    acetonitrile 3545.51
    DMF 2137.94
    toluene 1023.24
    isobutanol 2319.87
    1,4-dioxane 3323.23
    methyl acetate 1967.12
    THF 3522.05
    2-butanone 2371.85
    n-pentanol 1963.63
    sec-butanol 2486.24
    n-hexane 950.27
    ethylene glycol 561.66
    NMP 2483.45
    cyclohexane 762.79
    DMSO 2034.36
    n-butyl acetate 2340.46
    n-octanol 1454.27
    chloroform 7316.69
    n-propyl acetate 1671.42
    acetic acid 2780.88
    dichloromethane 6052.0
    cyclohexanone 3279.9
    propylene glycol 743.59
    isopropyl acetate 1212.25
    DMAc 1582.44
    2-ethoxyethanol 1891.94
    isopentanol 2290.06
    n-heptane 456.16
    ethyl formate 1508.81
    1,2-dichloroethane 3185.17
    n-hexanol 2195.28
    2-methoxyethanol 2370.11
    isobutyl acetate 1103.49
    tetrachloromethane 1953.9
    n-pentyl acetate 1710.18
    transcutol 4821.88
    n-heptanol 1285.59
    ethylbenzene 862.57
    MIBK 1149.63
    2-propoxyethanol 2367.58
    tert-butanol 3227.85
    MTBE 2651.36
    2-butoxyethanol 1695.22
    propionic acid 2261.89
    o-xylene 779.97
    formic acid 863.24
    diethyl ether 2151.49
    m-xylene 723.71
    p-xylene 1157.44
    chlorobenzene 2088.91
    dimethyl carbonate 386.2
    n-octane 258.25
    formamide 1010.29
    cyclopentanone 3202.14
    2-pentanone 1758.17
    anisole 1498.19
    cyclopentyl methyl ether 1864.08
    gamma-butyrolactone 3319.0
    1-methoxy-2-propanol 1615.05
    pyridine 2821.74
    3-pentanone 1310.6
    furfural 2845.72
    n-dodecane 168.79
    diethylene glycol 1334.32
    diisopropyl ether 799.24
    tert-amyl alcohol 2660.27
    acetylacetone 1500.97
    n-hexadecane 188.7
    acetophenone 1280.17
    methyl propionate 1162.49
    isopentyl acetate 2013.71
    trichloroethylene 5383.29
    n-nonanol 1176.19
    cyclohexanol 2106.9
    benzyl alcohol 1249.55
    2-ethylhexanol 1464.07
    isooctanol 1059.13
    dipropyl ether 1337.28
    1,2-dichlorobenzene 1784.79
    ethyl lactate 638.07
    propylene carbonate 1810.62
    n-methylformamide 1664.08
    2-pentanol 1811.6
    n-pentane 611.57
    1-propoxy-2-propanol 1750.79
    1-methoxy-2-propyl acetate 1155.3
    2-(2-methoxypropoxy) propanol 1073.68
    mesitylene 524.39
    ε-caprolactone 2829.55
    p-cymene 636.85
    epichlorohydrin 3428.61
    1,1,1-trichloroethane 3649.87
    2-aminoethanol 1287.74
    morpholine-4-carbaldehyde 2452.48
    sulfolane 3215.09
    2,2,4-trimethylpentane 351.48
    2-methyltetrahydrofuran 3344.85
    n-hexyl acetate 2194.67
    isooctane 276.58
    2-(2-butoxyethoxy)ethanol 1625.33
    sec-butyl acetate 1091.36
    tert-butyl acetate 1292.5
    decalin 396.36
    glycerin 873.54
    diglyme 2753.89
    acrylic acid 1788.66
    isopropyl myristate 695.36
    n-butyric acid 2779.1
    acetyl acetate 1051.93
    di(2-ethylhexyl) phthalate 559.34
    ethyl propionate 1194.23
    nitromethane 3271.02
    1,2-diethoxyethane 2140.12
    benzonitrile 2385.77
    trioctyl phosphate 470.43
    1-bromopropane 2518.32
    gamma-valerolactone 3502.02
    n-decanol 785.9
    triethyl phosphate 520.22
    4-methyl-2-pentanol 1046.53
    propionitrile 2673.19
    vinylene carbonate 1803.1
    1,1,2-trichlorotrifluoroethane 2008.05
    DMS 976.47
    cumene 684.63
    2-octanol 1105.25
    2-hexanone 1821.49
    octyl acetate 876.37
    limonene 924.62
    1,2-dimethoxyethane 2826.37
    ethyl orthosilicate 544.05
    tributyl phosphate 621.7
    diacetone alcohol 1217.17
    N,N-dimethylaniline 926.67
    acrylonitrile 2940.99
    aniline 1433.68
    1,3-propanediol 1765.41
    bromobenzene 2149.69
    dibromomethane 4403.56
    1,1,2,2-tetrachloroethane 4295.28
    2-methyl-cyclohexyl acetate 1035.96
    tetrabutyl urea 679.13
    diisobutyl methanol 767.09
    2-phenylethanol 1263.25
    styrene 1116.66
    dioctyl adipate 806.77
    dimethyl sulfate 608.6
    ethyl butyrate 1438.1
    methyl lactate 585.85
    butyl lactate 1064.19
    diethyl carbonate 862.8
    propanediol butyl ether 1499.98
    triethyl orthoformate 930.61
    p-tert-butyltoluene 579.79
    methyl 4-tert-butylbenzoate 974.76
    morpholine 3429.13
    tert-butylamine 2492.45
    n-dodecanol 553.81
    dimethoxymethane 1132.98
    ethylene carbonate 1466.63
    cyrene 791.29
    2-ethoxyethyl acetate 1555.68
    2-ethylhexyl acetate 1560.57
    1,2,4-trichlorobenzene 1970.69
    4-methylpyridine 3080.71
    dibutyl ether 1672.48
    2,6-dimethyl-4-heptanol 767.09
    DEF 1876.9
    dimethyl isosorbide 1519.44
    tetrachloroethylene 3337.47
    eugenol 1049.03
    triacetin 1181.43
    span 80 1074.32
    1,4-butanediol 905.93
    1,1-dichloroethane 3848.68
    2-methyl-1-pentanol 1863.63
    methyl formate 1184.05
    2-methyl-1-butanol 2205.59
    n-decane 334.12
    butyronitrile 2841.73
    3,7-dimethyl-1-octanol 1314.87
    1-chlorooctane 1090.67
    1-chlorotetradecane 365.52
    n-nonane 368.59
    undecane 223.5
    tert-butylcyclohexane 473.39
    cyclooctane 251.24
    cyclopentanol 2316.55
    tetrahydropyran 3194.37
    tert-amyl methyl ether 1629.26
    2,5,8-trioxanonane 1499.39
    1-hexene 1921.46
    2-isopropoxyethanol 1469.2
    2,2,2-trifluoroethanol 759.89
    methyl butyrate 1803.17

    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
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 1.0%