9-Methyldecan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    68067-35-6

    Molecular formula
    C11H22O

    SMILES
    CC(C)CCCCCCC(=O)C

  • Odor profile

    Floral 67.47%
    Fruity 64.44%
    Woody 61.99%
    Sweet 56.01%
    Herbal 52.41%
    Fatty 49.04%
    Waxy 48.01%
    Fresh 47.91%
    Spicy 44.88%
    Rose 43.16%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point est.
    80.41 ˚C

  • Synonyms

    • 9-methyldecan-2-one
    • 68067-35-6
    • 2-Decanone, 9-methyl-
    • 2-Decanone, 9-methyl
    • SCHEMBL1783020
    • 3-(4-Chlorophenyl)-N-(3-methoxyphenyl)-3-oxopropanamide

  • Applications

    9-Methyldecan-2-one (CAS 68067-35-6) is a branched aliphatic methyl ketone with moderate volatility, mainly used as: (i) a synthetic intermediate to introduce a branched backbone bearing a ketone in specialty chemicals, pharmaceutical/agrochemical intermediates, and functional additives; (ii) a fragrance/flavor research ingredient, where C10–C12 aliphatic ketones typically impart fatty, waxy, light fruity and green nuances and modulate background accords; (iii) an analytical reference/retention-index standard for GC/GC–MS and for method development when quantifying aliphatic ketones in flavor, environmental, and biological matrices; (iv) a reference compound in chemical ecology and semiochemical studies, with potential to be screened as an insect attractant/repellent analogous to other long-chain methyl ketones; and (v) a candidate for microencapsulation and controlled release in scented packaging. Use only in line with applicable regulations, safety documentation, and purity/specification requirements for the intended application.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5838.39
    methanol 4384.21
    isopropanol 6241.94
    water 0.2
    ethyl acetate 3769.03
    n-propanol 4905.33
    acetone 4955.28
    n-butanol 4850.67
    acetonitrile 2577.16
    DMF 2152.41
    toluene 1246.78
    isobutanol 3761.03
    1,4-dioxane 4618.28
    methyl acetate 2369.82
    THF 6348.36
    2-butanone 3725.92
    n-pentanol 3273.92
    sec-butanol 4489.07
    n-hexane 3179.0
    ethylene glycol 347.91
    NMP 1553.43
    cyclohexane 2100.33
    DMSO 2305.46
    n-butyl acetate 3569.33
    n-octanol 1315.65
    chloroform 5643.27
    n-propyl acetate 2385.69
    acetic acid 1628.14
    dichloromethane 3855.39
    cyclohexanone 4442.21
    propylene glycol 1003.77
    isopropyl acetate 2556.83
    DMAc 1573.0
    2-ethoxyethanol 2444.46
    isopentanol 4273.79
    n-heptane 1114.94
    ethyl formate 1392.16
    1,2-dichloroethane 2681.84
    n-hexanol 4114.29
    2-methoxyethanol 3662.44
    isobutyl acetate 1542.96
    tetrachloromethane 1155.19
    n-pentyl acetate 1714.4
    transcutol 7030.43
    n-heptanol 1305.41
    ethylbenzene 818.55
    MIBK 2161.17
    2-propoxyethanol 3991.75
    tert-butanol 6507.26
    MTBE 5910.23
    2-butoxyethanol 1798.38
    propionic acid 1845.17
    o-xylene 788.79
    formic acid 290.24
    diethyl ether 5832.25
    m-xylene 906.41
    p-xylene 999.65
    chlorobenzene 1355.59
    dimethyl carbonate 301.91
    n-octane 312.6
    formamide 358.87
    cyclopentanone 3391.31
    2-pentanone 3615.85
    anisole 1223.52
    cyclopentyl methyl ether 3823.48
    gamma-butyrolactone 2620.79
    1-methoxy-2-propanol 3281.08
    pyridine 2626.43
    3-pentanone 2086.59
    furfural 1825.45
    n-dodecane 143.71
    diethylene glycol 1510.69
    diisopropyl ether 1787.66
    tert-amyl alcohol 4474.85
    acetylacetone 2116.49
    n-hexadecane 168.13
    acetophenone 918.05
    methyl propionate 1839.02
    isopentyl acetate 3088.01
    trichloroethylene 3750.82
    n-nonanol 1071.47
    cyclohexanol 4015.24
    benzyl alcohol 992.74
    2-ethylhexanol 2396.79
    isooctanol 1116.13
    dipropyl ether 3777.9
    1,2-dichlorobenzene 1098.14
    ethyl lactate 669.68
    propylene carbonate 1533.5
    n-methylformamide 1078.38
    2-pentanol 3655.18
    n-pentane 1469.31
    1-propoxy-2-propanol 3593.37
    1-methoxy-2-propyl acetate 2318.04
    2-(2-methoxypropoxy) propanol 1275.88
    mesitylene 648.18
    ε-caprolactone 3248.86
    p-cymene 566.04
    epichlorohydrin 3293.38
    1,1,1-trichloroethane 3276.46
    2-aminoethanol 1217.49
    morpholine-4-carbaldehyde 2217.32
    sulfolane 2335.48
    2,2,4-trimethylpentane 442.01
    2-methyltetrahydrofuran 5718.75
    n-hexyl acetate 2332.85
    isooctane 395.82
    2-(2-butoxyethoxy)ethanol 2028.48
    sec-butyl acetate 1841.07
    tert-butyl acetate 2563.09
    decalin 652.75
    glycerin 810.68
    diglyme 3320.65
    acrylic acid 933.36
    isopropyl myristate 720.83
    n-butyric acid 3882.74
    acetyl acetate 1307.13
    di(2-ethylhexyl) phthalate 500.2
    ethyl propionate 1837.25
    nitromethane 1828.35
    1,2-diethoxyethane 3424.34
    benzonitrile 1386.88
    trioctyl phosphate 415.67
    1-bromopropane 3373.04
    gamma-valerolactone 3809.37
    n-decanol 728.42
    triethyl phosphate 546.09
    4-methyl-2-pentanol 1824.22
    propionitrile 2633.13
    vinylene carbonate 1154.22
    1,1,2-trichlorotrifluoroethane 2077.78
    DMS 850.71
    cumene 559.47
    2-octanol 992.78
    2-hexanone 2848.72
    octyl acetate 818.7
    limonene 1246.34
    1,2-dimethoxyethane 4423.18
    ethyl orthosilicate 660.61
    tributyl phosphate 573.43
    diacetone alcohol 2246.43
    N,N-dimethylaniline 745.71
    acrylonitrile 1916.92
    aniline 1545.76
    1,3-propanediol 2039.15
    bromobenzene 1478.67
    dibromomethane 3346.08
    1,1,2,2-tetrachloroethane 3730.64
    2-methyl-cyclohexyl acetate 1287.52
    tetrabutyl urea 657.78
    diisobutyl methanol 1213.05
    2-phenylethanol 1208.82
    styrene 1004.07
    dioctyl adipate 856.86
    dimethyl sulfate 405.6
    ethyl butyrate 2121.99
    methyl lactate 658.21
    butyl lactate 1072.28
    diethyl carbonate 939.51
    propanediol butyl ether 1476.61
    triethyl orthoformate 1371.81
    p-tert-butyltoluene 579.13
    methyl 4-tert-butylbenzoate 824.27
    morpholine 6326.37
    tert-butylamine 4697.12
    n-dodecanol 523.48
    dimethoxymethane 1659.48
    ethylene carbonate 1268.68
    cyrene 777.48
    2-ethoxyethyl acetate 1641.27
    2-ethylhexyl acetate 2255.93
    1,2,4-trichlorobenzene 1226.1
    4-methylpyridine 2840.2
    dibutyl ether 2809.71
    2,6-dimethyl-4-heptanol 1213.05
    DEF 2580.48
    dimethyl isosorbide 1642.6
    tetrachloroethylene 2380.03
    eugenol 781.01
    triacetin 1262.14
    span 80 1337.11
    1,4-butanediol 723.51
    1,1-dichloroethane 3991.7
    2-methyl-1-pentanol 2507.36
    methyl formate 605.23
    2-methyl-1-butanol 3410.97
    n-decane 326.01
    butyronitrile 3563.17
    3,7-dimethyl-1-octanol 1430.19
    1-chlorooctane 1009.94
    1-chlorotetradecane 306.14
    n-nonane 387.33
    undecane 205.1
    tert-butylcyclohexane 657.35
    cyclooctane 570.84
    cyclopentanol 3221.52
    tetrahydropyran 7324.05
    tert-amyl methyl ether 3364.98
    2,5,8-trioxanonane 1843.25
    1-hexene 5790.42
    2-isopropoxyethanol 1997.77
    2,2,2-trifluoroethanol 339.7
    methyl butyrate 2468.94

    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 (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.14%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.35%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.12%