10-Methylundecan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    67882-99-9

    Molecular formula
    C12H24O

    SMILES
    CC(C)CCCCCCCC(=O)C

  • Odor profile

    Floral 68.59%
    Fruity 63.56%
    Woody 60.03%
    Sweet 53.28%
    Waxy 53.14%
    Fatty 50.73%
    Fresh 46.14%
    Herbal 44.56%
    Rose 43.06%
    Oily 42.14%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point est.
    91.2 ˚C

  • Synonyms

    • 10-methylundecan-2-one
    • 2-Undecanone, 10-methyl-
    • 67882-99-9
    • SCHEMBL16431234
    • DTXSID40336057

  • Applications

    10-Methylundecan-2-one (CAS 67882-99-9) is a branched aliphatic ketone with a fresh green, slightly citrus, waxy-woody odor, used as an odorant and aroma modulator in fine fragrances, deodorants, soaps, detergents, personal care and air-care products; with medium volatility and lipophilicity it acts as a light fixative that extends green–herbal–fruity notes and smooths aldehydic, terpenic and musky accords; in flavor applications, 2-undecanone derivatives provide fruity/citrus and spicy nuances, and the 10-methyl isomer is often explored as a similar flavor modifier in confectionery, beverages and chewing gum (subject to local regulations); leveraging structural similarity to 2-undecanone, a known insect repellent, this compound is sometimes investigated or formulated as a supporting mosquito/tick repellent in sprays, scented candles and pet-care products; additionally, 10-methylundecan-2-one serves as a perfumery carrier/solvent for hydrophobic actives, a synthetic intermediate toward long-chain ketones, esters and amides (e.g., lubricant additives, specialty surfactants), an analytical reference/retention marker for GC/MS in aroma research, and a model molecule for structure–odor relationship studies and microencapsulation systems to improve controlled fragrance release.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8050.95
    methanol 5757.32
    isopropanol 8784.31
    water 0.12
    ethyl acetate 6370.59
    n-propanol 6845.64
    acetone 8788.99
    n-butanol 6525.71
    acetonitrile 4324.09
    DMF 3206.91
    toluene 1805.76
    isobutanol 5303.11
    1,4-dioxane 6720.59
    methyl acetate 3769.9
    THF 9486.48
    2-butanone 6055.34
    n-pentanol 4376.96
    sec-butanol 6362.01
    n-hexane 4401.56
    ethylene glycol 358.09
    NMP 2123.42
    cyclohexane 3264.2
    DMSO 3588.57
    n-butyl acetate 5421.38
    n-octanol 1742.66
    chloroform 7696.39
    n-propyl acetate 4046.1
    acetic acid 2240.91
    dichloromethane 5751.61
    cyclohexanone 6984.84
    propylene glycol 1101.37
    isopropyl acetate 4245.17
    DMAc 2222.09
    2-ethoxyethanol 3385.23
    isopentanol 5758.09
    n-heptane 1638.05
    ethyl formate 2201.12
    1,2-dichloroethane 4139.48
    n-hexanol 5191.39
    2-methoxyethanol 4989.2
    isobutyl acetate 2360.84
    tetrachloromethane 1552.94
    n-pentyl acetate 2712.49
    transcutol 9725.43
    n-heptanol 1713.8
    ethylbenzene 1195.54
    MIBK 3346.55
    2-propoxyethanol 5126.9
    tert-butanol 9186.12
    MTBE 9184.59
    2-butoxyethanol 2435.69
    propionic acid 2509.85
    o-xylene 1109.66
    formic acid 339.05
    diethyl ether 9415.54
    m-xylene 1260.1
    p-xylene 1475.28
    chlorobenzene 1975.41
    dimethyl carbonate 452.85
    n-octane 448.72
    formamide 482.54
    cyclopentanone 5128.23
    2-pentanone 5964.61
    anisole 1747.51
    cyclopentyl methyl ether 5605.79
    gamma-butyrolactone 3905.71
    1-methoxy-2-propanol 4529.6
    pyridine 4090.29
    3-pentanone 3312.41
    furfural 2541.67
    n-dodecane 198.97
    diethylene glycol 1775.07
    diisopropyl ether 2801.34
    tert-amyl alcohol 6242.96
    acetylacetone 3540.78
    n-hexadecane 236.58
    acetophenone 1330.92
    methyl propionate 2896.84
    isopentyl acetate 4643.87
    trichloroethylene 5624.63
    n-nonanol 1418.32
    cyclohexanol 5536.1
    benzyl alcohol 1337.93
    2-ethylhexanol 3223.73
    isooctanol 1531.87
    dipropyl ether 5828.26
    1,2-dichlorobenzene 1586.37
    ethyl lactate 940.43
    propylene carbonate 2205.53
    n-methylformamide 1596.5
    2-pentanol 5017.32
    n-pentane 2008.61
    1-propoxy-2-propanol 4758.41
    1-methoxy-2-propyl acetate 3332.43
    2-(2-methoxypropoxy) propanol 1591.82
    mesitylene 897.23
    ε-caprolactone 4892.15
    p-cymene 786.3
    epichlorohydrin 4905.92
    1,1,1-trichloroethane 4895.45
    2-aminoethanol 1373.64
    morpholine-4-carbaldehyde 3093.03
    sulfolane 3403.09
    2,2,4-trimethylpentane 576.26
    2-methyltetrahydrofuran 8847.13
    n-hexyl acetate 3522.07
    isooctane 533.54
    2-(2-butoxyethoxy)ethanol 2609.8
    sec-butyl acetate 2935.78
    tert-butyl acetate 4103.38
    decalin 948.66
    glycerin 876.55
    diglyme 4679.87
    acrylic acid 1221.6
    isopropyl myristate 1044.32
    n-butyric acid 5716.42
    acetyl acetate 2067.28
    di(2-ethylhexyl) phthalate 639.36
    ethyl propionate 3037.13
    nitromethane 2874.08
    1,2-diethoxyethane 5337.75
    benzonitrile 1971.0
    trioctyl phosphate 556.77
    1-bromopropane 5167.69
    gamma-valerolactone 5773.96
    n-decanol 929.02
    triethyl phosphate 780.4
    4-methyl-2-pentanol 2480.54
    propionitrile 4050.83
    vinylene carbonate 1611.74
    1,1,2-trichlorotrifluoroethane 2834.64
    DMS 1242.1
    cumene 778.09
    2-octanol 1347.53
    2-hexanone 4634.6
    octyl acetate 1150.47
    limonene 1749.63
    1,2-dimethoxyethane 6615.07
    ethyl orthosilicate 942.23
    tributyl phosphate 777.2
    diacetone alcohol 3249.95
    N,N-dimethylaniline 1027.35
    acrylonitrile 2802.17
    aniline 2135.6
    1,3-propanediol 2625.6
    bromobenzene 2194.84
    dibromomethane 5019.64
    1,1,2,2-tetrachloroethane 5323.13
    2-methyl-cyclohexyl acetate 1816.55
    tetrabutyl urea 917.14
    diisobutyl methanol 1628.2
    2-phenylethanol 1565.12
    styrene 1510.98
    dioctyl adipate 1218.03
    dimethyl sulfate 587.18
    ethyl butyrate 3322.84
    methyl lactate 882.5
    butyl lactate 1521.67
    diethyl carbonate 1437.29
    propanediol butyl ether 1852.17
    triethyl orthoformate 2037.44
    p-tert-butyltoluene 792.33
    methyl 4-tert-butylbenzoate 1105.63
    morpholine 9196.5
    tert-butylamine 6566.78
    n-dodecanol 668.55
    dimethoxymethane 2593.31
    ethylene carbonate 1860.08
    cyrene 965.46
    2-ethoxyethyl acetate 2470.15
    2-ethylhexyl acetate 3379.07
    1,2,4-trichlorobenzene 1708.21
    4-methylpyridine 4289.74
    dibutyl ether 4389.92
    2,6-dimethyl-4-heptanol 1628.2
    DEF 4016.75
    dimethyl isosorbide 2152.88
    tetrachloroethylene 3354.15
    eugenol 994.09
    triacetin 1758.87
    span 80 1663.89
    1,4-butanediol 848.07
    1,1-dichloroethane 6026.17
    2-methyl-1-pentanol 3361.05
    methyl formate 885.64
    2-methyl-1-butanol 4619.76
    n-decane 469.45
    butyronitrile 5491.53
    3,7-dimethyl-1-octanol 1890.17
    1-chlorooctane 1463.42
    1-chlorotetradecane 427.22
    n-nonane 557.97
    undecane 288.03
    tert-butylcyclohexane 920.46
    cyclooctane 846.08
    cyclopentanol 4443.08
    tetrahydropyran 11444.49
    tert-amyl methyl ether 4861.36
    2,5,8-trioxanonane 2419.59
    1-hexene 8510.64
    2-isopropoxyethanol 2782.1
    2,2,2-trifluoroethanol 424.59
    methyl butyrate 4167.58

    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 1.96%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 2.63%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.28%