4-Methyl-2-heptanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6137-06-0

    Molecular formula
    C8H16O

    SMILES
    CCCC(C)CC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 81.04%
    Herbal 76.54%
    Sweet 69.56%
    Ketonic 63.49%
    Green 63.46%
    Spicy 54.8%
    Cheesy 51.65%
    Woody 46.2%
    Fresh 46.11%
    Fatty 44.89%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.72 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point est.
    49.36 ˚C

  • Synonyms

    • 4-Methyl-2-heptanone
    • 6137-06-0
    • 4-methylheptan-2-one
    • 2-Heptanone, 4-methyl-
    • 2-Heptanone, 4-methyl-, (+)-
    • 2Heptanone, 4methyl
    • SCHEMBL594273
    • DTXSID70976905
    • MFCD00060957
    • AKOS011914107
    • AS-78004
    • CS-0242500
    • D93522
    • EN300-250448
    • A833975
    • 696-459-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4414.33
    methanol 5038.94
    isopropanol 3356.72
    water 3.4
    ethyl acetate 1532.17
    n-propanol 3005.99
    acetone 2418.3
    n-butanol 2895.68
    acetonitrile 2127.25
    DMF 1530.93
    toluene 678.51
    isobutanol 2117.97
    1,4-dioxane 3175.39
    methyl acetate 1209.67
    THF 4263.9
    2-butanone 1468.53
    n-pentanol 1546.54
    sec-butanol 2302.96
    n-hexane 949.94
    ethylene glycol 568.56
    NMP 1488.27
    cyclohexane 1287.59
    DMSO 1523.92
    n-butyl acetate 1935.9
    n-octanol 1016.65
    chloroform 4431.1
    n-propyl acetate 798.14
    acetic acid 2327.06
    dichloromethane 3073.87
    cyclohexanone 2822.65
    propylene glycol 901.3
    isopropyl acetate 891.3
    DMAc 868.09
    2-ethoxyethanol 1068.84
    isopentanol 2070.26
    n-heptane 819.26
    ethyl formate 1074.55
    1,2-dichloroethane 1481.77
    n-hexanol 3416.4
    2-methoxyethanol 2404.66
    isobutyl acetate 506.86
    tetrachloromethane 858.81
    n-pentyl acetate 833.04
    transcutol 3160.93
    n-heptanol 956.73
    ethylbenzene 365.13
    MIBK 791.64
    2-propoxyethanol 2610.49
    tert-butanol 3068.12
    MTBE 1838.39
    2-butoxyethanol 1038.96
    propionic acid 1525.06
    o-xylene 396.36
    formic acid 606.11
    diethyl ether 2197.16
    m-xylene 463.53
    p-xylene 475.43
    chlorobenzene 917.76
    dimethyl carbonate 229.68
    n-octane 187.07
    formamide 510.44
    cyclopentanone 2235.34
    2-pentanone 1458.14
    anisole 571.81
    cyclopentyl methyl ether 1819.47
    gamma-butyrolactone 2176.01
    1-methoxy-2-propanol 1622.57
    pyridine 1725.41
    3-pentanone 831.51
    furfural 1532.14
    n-dodecane 118.96
    diethylene glycol 1333.8
    diisopropyl ether 595.29
    tert-amyl alcohol 2023.93
    acetylacetone 1053.48
    n-hexadecane 134.21
    acetophenone 463.75
    methyl propionate 822.02
    isopentyl acetate 1527.84
    trichloroethylene 2512.43
    n-nonanol 765.5
    cyclohexanol 2591.29
    benzyl alcohol 568.94
    2-ethylhexanol 1543.07
    isooctanol 643.52
    dipropyl ether 1526.9
    1,2-dichlorobenzene 704.02
    ethyl lactate 304.38
    propylene carbonate 1257.92
    n-methylformamide 1028.37
    2-pentanol 1713.58
    n-pentane 840.97
    1-propoxy-2-propanol 1884.87
    1-methoxy-2-propyl acetate 1040.46
    2-(2-methoxypropoxy) propanol 764.35
    mesitylene 312.3
    ε-caprolactone 2034.98
    p-cymene 394.03
    epichlorohydrin 2060.46
    1,1,1-trichloroethane 1821.45
    2-aminoethanol 1293.41
    morpholine-4-carbaldehyde 1618.13
    sulfolane 1829.31
    2,2,4-trimethylpentane 222.97
    2-methyltetrahydrofuran 3240.63
    n-hexyl acetate 1422.93
    isooctane 192.52
    2-(2-butoxyethoxy)ethanol 1120.03
    sec-butyl acetate 514.14
    tert-butyl acetate 899.04
    decalin 298.85
    glycerin 836.14
    diglyme 1679.75
    acrylic acid 994.38
    isopropyl myristate 449.67
    n-butyric acid 2547.0
    acetyl acetate 731.03
    di(2-ethylhexyl) phthalate 382.82
    ethyl propionate 569.72
    nitromethane 1918.51
    1,2-diethoxyethane 1250.25
    benzonitrile 961.74
    trioctyl phosphate 328.37
    1-bromopropane 1620.62
    gamma-valerolactone 2550.51
    n-decanol 515.18
    triethyl phosphate 296.98
    4-methyl-2-pentanol 785.07
    propionitrile 1567.15
    vinylene carbonate 1004.87
    1,1,2-trichlorotrifluoroethane 1353.41
    DMS 522.47
    cumene 261.5
    2-octanol 703.9
    2-hexanone 988.93
    octyl acetate 588.45
    limonene 868.89
    1,2-dimethoxyethane 1954.93
    ethyl orthosilicate 316.64
    tributyl phosphate 398.04
    diacetone alcohol 980.48
    N,N-dimethylaniline 370.1
    acrylonitrile 1312.08
    aniline 904.96
    1,3-propanediol 1738.88
    bromobenzene 897.18
    dibromomethane 2401.31
    1,1,2,2-tetrachloroethane 2142.11
    2-methyl-cyclohexyl acetate 674.39
    tetrabutyl urea 477.31
    diisobutyl methanol 658.57
    2-phenylethanol 900.3
    styrene 434.53
    dioctyl adipate 560.45
    dimethyl sulfate 306.25
    ethyl butyrate 933.78
    methyl lactate 403.65
    butyl lactate 613.0
    diethyl carbonate 465.53
    propanediol butyl ether 1022.49
    triethyl orthoformate 590.05
    p-tert-butyltoluene 376.04
    methyl 4-tert-butylbenzoate 539.85
    morpholine 3791.52
    tert-butylamine 2254.62
    n-dodecanol 377.13
    dimethoxymethane 1055.86
    ethylene carbonate 990.15
    cyrene 488.51
    2-ethoxyethyl acetate 831.16
    2-ethylhexyl acetate 1171.0
    1,2,4-trichlorobenzene 785.98
    4-methylpyridine 1634.75
    dibutyl ether 1049.55
    2,6-dimethyl-4-heptanol 658.57
    DEF 1170.06
    dimethyl isosorbide 1153.61
    tetrachloroethylene 1497.35
    eugenol 502.85
    triacetin 719.91
    span 80 909.0
    1,4-butanediol 572.82
    1,1-dichloroethane 2019.81
    2-methyl-1-pentanol 1119.25
    methyl formate 709.5
    2-methyl-1-butanol 1775.87
    n-decane 217.1
    butyronitrile 2228.76
    3,7-dimethyl-1-octanol 852.37
    1-chlorooctane 629.67
    1-chlorotetradecane 225.82
    n-nonane 250.64
    undecane 153.41
    tert-butylcyclohexane 273.53
    cyclooctane 326.42
    cyclopentanol 2333.61
    tetrahydropyran 3952.15
    tert-amyl methyl ether 1138.36
    2,5,8-trioxanonane 1090.83
    1-hexene 1677.45
    2-isopropoxyethanol 753.62
    2,2,2-trifluoroethanol 464.52
    methyl butyrate 877.51

    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
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.25%