11-Methyldodecan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    67883-00-5

    Molecular formula
    C13H26O

    SMILES
    CC(C)CCCCCCCCC(=O)C

  • Odor profile

    Floral 65.99%
    Fruity 61.9%
    Woody 57.24%
    Waxy 55.88%
    Fatty 52.47%
    Sweet 49.69%
    Oily 44.1%
    Fresh 43.87%
    Rose 39.88%
    Spicy 39.4%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    102.95 ˚C

  • Synonyms

    • 11-methyldodecan-2-one
    • SCHEMBL18314426
    • CHEBI:225563
    • GYPFCEFVMRJITR-UHFFFAOYSA-N

  • Applications

    11-Methyldodecan-2-one (CAS 67883-00-5) is a branched long-chain ketone used mainly as a synthesis intermediate: it supports aldol chemistry, formation of oximes/hydrazones for analytical purposes, reduction to the secondary alcohol followed by esterification/ethoxylation to make surfactant hydrophobes, or Baeyer–Villiger oxidation to long-chain esters; it serves as a fragrance building block when fatty–waxy/creamy nuances are desired in fine fragrance, cosmetics, and home care (subject to IFRA/local compliance); functions as a low-volatility solvent/process aid with strong solvency for hydrophobes in inks, coatings, and cleaners; acts as a lubricity/slide additive in industrial oils and metalworking fluids due to viscosity and mild polarity; a hydrophobic precursor for specialty polymer/coating modification to boost water repellency; a reference/retention-index marker in GC and method development for long-chain ketones; a model compound in studies of hydrophobic interactions, biodegradation, and atmospheric oxidation; and a scaffold in agrochemical R&D (potential semiochemicals/repellents) — actual use depends on grade, purity, formulation compatibility, and safety/regulatory profile.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3347.09
    methanol 2043.91
    isopropanol 3796.54
    water 0.03
    ethyl acetate 3725.26
    n-propanol 3131.49
    acetone 3924.31
    n-butanol 3331.06
    acetonitrile 1799.97
    DMF 1461.57
    toluene 1249.9
    isobutanol 2570.83
    1,4-dioxane 4042.16
    methyl acetate 2045.65
    THF 6357.44
    2-butanone 3553.38
    n-pentanol 2365.54
    sec-butanol 3321.61
    n-hexane 2795.63
    ethylene glycol 120.73
    NMP 1271.33
    cyclohexane 2328.01
    DMSO 1793.65
    n-butyl acetate 3514.97
    n-octanol 1032.97
    chloroform 4945.96
    n-propyl acetate 2733.22
    acetic acid 873.97
    dichloromethane 3859.15
    cyclohexanone 4408.27
    propylene glycol 437.68
    isopropyl acetate 2698.67
    DMAc 1307.52
    2-ethoxyethanol 1949.82
    isopentanol 3147.85
    n-heptane 1126.44
    ethyl formate 1123.1
    1,2-dichloroethane 2842.02
    n-hexanol 2926.47
    2-methoxyethanol 2470.08
    isobutyl acetate 1661.35
    tetrachloromethane 1004.06
    n-pentyl acetate 1825.02
    transcutol 6552.03
    n-heptanol 1008.57
    ethylbenzene 856.29
    MIBK 2231.77
    2-propoxyethanol 3010.63
    tert-butanol 4511.67
    MTBE 5585.36
    2-butoxyethanol 1484.08
    propionic acid 1089.78
    o-xylene 807.22
    formic acid 116.09
    diethyl ether 5718.83
    m-xylene 908.72
    p-xylene 1032.91
    chlorobenzene 1360.76
    dimethyl carbonate 261.97
    n-octane 301.03
    formamide 177.94
    cyclopentanone 3078.19
    2-pentanone 3564.43
    anisole 1242.41
    cyclopentyl methyl ether 3894.72
    gamma-butyrolactone 2318.79
    1-methoxy-2-propanol 2525.8
    pyridine 2498.63
    3-pentanone 2099.43
    furfural 1540.15
    n-dodecane 133.37
    diethylene glycol 943.01
    diisopropyl ether 1864.42
    tert-amyl alcohol 3428.53
    acetylacetone 2111.18
    n-hexadecane 160.4
    acetophenone 971.75
    methyl propionate 1675.73
    isopentyl acetate 3182.02
    trichloroethylene 3680.64
    n-nonanol 889.47
    cyclohexanol 3296.57
    benzyl alcohol 864.96
    2-ethylhexanol 2064.08
    isooctanol 977.03
    dipropyl ether 4002.39
    1,2-dichlorobenzene 1182.96
    ethyl lactate 638.79
    propylene carbonate 1372.99
    n-methylformamide 645.76
    2-pentanol 2805.94
    n-pentane 1186.79
    1-propoxy-2-propanol 2967.87
    1-methoxy-2-propyl acetate 2293.26
    2-(2-methoxypropoxy) propanol 1144.32
    mesitylene 666.08
    ε-caprolactone 3191.32
    p-cymene 602.04
    epichlorohydrin 3215.41
    1,1,1-trichloroethane 3322.06
    2-aminoethanol 526.29
    morpholine-4-carbaldehyde 1909.92
    sulfolane 2099.35
    2,2,4-trimethylpentane 399.23
    2-methyltetrahydrofuran 6061.96
    n-hexyl acetate 2371.84
    isooctane 360.16
    2-(2-butoxyethoxy)ethanol 1768.01
    sec-butyl acetate 2128.71
    tert-butyl acetate 2784.23
    decalin 720.82
    glycerin 377.22
    diglyme 3146.02
    acrylic acid 506.66
    isopropyl myristate 768.22
    n-butyric acid 2827.36
    acetyl acetate 1264.34
    di(2-ethylhexyl) phthalate 476.96
    ethyl propionate 2117.61
    nitromethane 1252.33
    1,2-diethoxyethane 3817.52
    benzonitrile 1230.22
    trioctyl phosphate 391.74
    1-bromopropane 3535.03
    gamma-valerolactone 3461.58
    n-decanol 601.98
    triethyl phosphate 633.39
    4-methyl-2-pentanol 1510.57
    propionitrile 2132.13
    vinylene carbonate 969.48
    1,1,2-trichlorotrifluoroethane 1684.44
    DMS 854.6
    cumene 584.83
    2-octanol 823.23
    2-hexanone 2995.55
    octyl acetate 823.41
    limonene 1297.52
    1,2-dimethoxyethane 4162.39
    ethyl orthosilicate 760.89
    tributyl phosphate 564.99
    diacetone alcohol 2065.91
    N,N-dimethylaniline 771.93
    acrylonitrile 1401.07
    aniline 1273.45
    1,3-propanediol 1123.73
    bromobenzene 1542.54
    dibromomethane 3364.15
    1,1,2,2-tetrachloroethane 3646.79
    2-methyl-cyclohexyl acetate 1416.26
    tetrabutyl urea 647.01
    diisobutyl methanol 1136.41
    2-phenylethanol 1027.46
    styrene 1050.33
    dioctyl adipate 924.63
    dimethyl sulfate 355.7
    ethyl butyrate 2385.23
    methyl lactate 485.49
    butyl lactate 1019.66
    diethyl carbonate 1067.07
    propanediol butyl ether 1106.09
    triethyl orthoformate 1581.75
    p-tert-butyltoluene 593.26
    methyl 4-tert-butylbenzoate 832.7
    morpholine 5712.21
    tert-butylamine 3382.01
    n-dodecanol 438.88
    dimethoxymethane 1470.07
    ethylene carbonate 1123.92
    cyrene 704.54
    2-ethoxyethyl acetate 1725.67
    2-ethylhexyl acetate 2455.78
    1,2,4-trichlorobenzene 1244.98
    4-methylpyridine 2636.51
    dibutyl ether 2980.28
    2,6-dimethyl-4-heptanol 1136.41
    DEF 2455.76
    dimethyl isosorbide 1662.91
    tetrachloroethylene 2254.99
    eugenol 719.93
    triacetin 1296.07
    span 80 1181.26
    1,4-butanediol 394.56
    1,1-dichloroethane 3900.03
    2-methyl-1-pentanol 2031.43
    methyl formate 364.82
    2-methyl-1-butanol 2601.13
    n-decane 319.15
    butyronitrile 2986.81
    3,7-dimethyl-1-octanol 1263.1
    1-chlorooctane 1023.76
    1-chlorotetradecane 311.67
    n-nonane 373.51
    undecane 193.64
    tert-butylcyclohexane 671.47
    cyclooctane 636.55
    cyclopentanol 2447.88
    tetrahydropyran 7574.29
    tert-amyl methyl ether 3301.82
    2,5,8-trioxanonane 1720.32
    1-hexene 5127.59
    2-isopropoxyethanol 1741.82
    2,2,2-trifluoroethanol 181.14
    methyl butyrate 2693.2

    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) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.26%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.07%