11-Tridecen-6-one, 8,12-dimethyl-

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  • Identifiers

    CAS number
    68141-18-4

    Molecular formula
    C15H28O

    SMILES
    CCCCCC(=O)CC(C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 73.13%
    Fruity 61.01%
    Rose 53.22%
    Waxy 51.4%
    Citrus 47.2%
    Sweet 43.57%
    Herbal 37.53%
    Woody 37.12%
    Fresh 37.03%
    Oily 35.78%

     

    Flavor
    Floral 59.15%
    Herbal 52.43%
    Fruity 40.56%
    Waxy 34.29%
    Green 33.91%
    Fresh 33.24%
    Citrus 31.39%
    Woody 31.22%
    Jasmin 30.82%
    Spicy 28.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.61 (weak base)

    Molecular weight
    224.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 111.4 ˚C est.

  • Synonyms

    • 8,12-Dimethyltridec-11-en-6-one
    • EINECS 268-840-2
    • 8,12-Dimethyl-11-tridecen-6-one
    • 11-Tridecen-6-one, 8,12-dimethyl-
    • DTXSID4052396
    • RefChem:236211
    • DTXCID4030968
    • 268-840-2
    • 68141-18-4
    • SCHEMBL20608591
    • YPCQEZZZPUSVEB-UHFFFAOYSA-N
    • NS00036449
    • 68141-18-4

  • Applications

    11-Tridecen-6-one, 8,12-dimethyl- (CAS 68141-18-4) is primarily used as an aroma ingredient in the fragrance industry, functioning as an odorant and a fixative to extend fragrance life; it is also commonly evaluated for and used in cosmetics and personal care formulations as a fragrance component. Additionally, the substance may appear in household products such as cleaning agents and air fresheners as an odorant additive, helping to improve the fragrance profile of the product. In the coatings and inks sector, it can act as an aroma additive or as an intermediate in fragrance synthesis used in paints, coatings, and related products. It is often used as an intermediate in industrial fragrance synthesis. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3862.9
    methanol 2494.91
    isopropanol 3948.22
    water 0.09
    ethyl acetate 3395.59
    n-propanol 3188.2
    acetone 3665.66
    n-butanol 3497.78
    acetonitrile 1998.26
    DMF 1629.64
    toluene 1431.22
    isobutanol 2517.82
    1,4-dioxane 4365.36
    methyl acetate 1787.22
    THF 5633.83
    2-butanone 2879.24
    n-pentanol 2313.67
    sec-butanol 3229.25
    n-hexane 1698.83
    ethylene glycol 114.97
    NMP 1331.31
    cyclohexane 2158.76
    DMSO 1490.78
    n-butyl acetate 3423.44
    n-octanol 1213.79
    chloroform 4902.36
    n-propyl acetate 2169.85
    acetic acid 1186.52
    dichloromethane 3946.68
    cyclohexanone 4066.02
    propylene glycol 421.47
    isopropyl acetate 2374.79
    DMAc 1299.14
    2-ethoxyethanol 1611.02
    isopentanol 3118.45
    n-heptane 986.49
    ethyl formate 1330.15
    1,2-dichloroethane 2578.34
    n-hexanol 3233.51
    2-methoxyethanol 2291.03
    isobutyl acetate 1336.83
    tetrachloromethane 876.48
    n-pentyl acetate 1814.16
    transcutol 6388.02
    n-heptanol 1145.92
    ethylbenzene 885.81
    MIBK 1826.95
    2-propoxyethanol 2770.28
    tert-butanol 4160.91
    MTBE 4536.51
    2-butoxyethanol 1466.76
    propionic acid 1077.98
    o-xylene 839.22
    formic acid 153.58
    diethyl ether 5007.82
    m-xylene 1038.79
    p-xylene 1075.39
    chlorobenzene 1520.72
    dimethyl carbonate 292.96
    n-octane 298.1
    formamide 219.9
    cyclopentanone 2707.98
    2-pentanone 3187.78
    anisole 1177.9
    cyclopentyl methyl ether 3032.04
    gamma-butyrolactone 2200.21
    1-methoxy-2-propanol 2105.81
    pyridine 2622.33
    3-pentanone 1653.2
    furfural 1597.76
    n-dodecane 147.54
    diethylene glycol 910.12
    diisopropyl ether 1565.04
    tert-amyl alcohol 2989.96
    acetylacetone 2043.21
    n-hexadecane 174.88
    acetophenone 930.94
    methyl propionate 1426.65
    isopentyl acetate 3074.5
    trichloroethylene 3766.82
    n-nonanol 996.41
    cyclohexanol 3108.95
    benzyl alcohol 915.74
    2-ethylhexanol 2015.34
    isooctanol 971.35
    dipropyl ether 3037.62
    1,2-dichlorobenzene 1221.75
    ethyl lactate 527.8
    propylene carbonate 1500.18
    n-methylformamide 693.45
    2-pentanol 2765.2
    n-pentane 1056.6
    1-propoxy-2-propanol 2601.99
    1-methoxy-2-propyl acetate 2012.65
    2-(2-methoxypropoxy) propanol 1156.68
    mesitylene 695.2
    ε-caprolactone 3091.11
    p-cymene 674.82
    epichlorohydrin 3086.86
    1,1,1-trichloroethane 2975.67
    2-aminoethanol 506.19
    morpholine-4-carbaldehyde 1844.19
    sulfolane 1801.76
    2,2,4-trimethylpentane 358.37
    2-methyltetrahydrofuran 5037.39
    n-hexyl acetate 2440.11
    isooctane 344.39
    2-(2-butoxyethoxy)ethanol 1828.98
    sec-butyl acetate 1630.83
    tert-butyl acetate 2223.78
    decalin 580.8
    glycerin 363.91
    diglyme 3068.55
    acrylic acid 526.17
    isopropyl myristate 800.34
    n-butyric acid 2993.43
    acetyl acetate 1320.11
    di(2-ethylhexyl) phthalate 539.25
    ethyl propionate 1538.21
    nitromethane 1396.44
    1,2-diethoxyethane 3368.91
    benzonitrile 1411.43
    trioctyl phosphate 432.88
    1-bromopropane 2791.95
    gamma-valerolactone 3310.92
    n-decanol 676.02
    triethyl phosphate 520.95
    4-methyl-2-pentanol 1395.18
    propionitrile 1805.17
    vinylene carbonate 1121.52
    1,1,2-trichlorotrifluoroethane 1391.81
    DMS 865.18
    cumene 611.77
    2-octanol 952.74
    2-hexanone 2270.03
    octyl acetate 924.38
    limonene 1341.44
    1,2-dimethoxyethane 3272.74
    ethyl orthosilicate 598.85
    tributyl phosphate 583.96
    diacetone alcohol 1680.14
    N,N-dimethylaniline 776.0
    acrylonitrile 1202.6
    aniline 1367.96
    1,3-propanediol 1206.96
    bromobenzene 1672.36
    dibromomethane 3251.99
    1,1,2,2-tetrachloroethane 3393.79
    2-methyl-cyclohexyl acetate 1256.16
    tetrabutyl urea 679.39
    diisobutyl methanol 1078.83
    2-phenylethanol 1196.84
    styrene 1073.42
    dioctyl adipate 932.15
    dimethyl sulfate 337.85
    ethyl butyrate 2057.36
    methyl lactate 426.31
    butyl lactate 1004.66
    diethyl carbonate 955.22
    propanediol butyl ether 1228.33
    triethyl orthoformate 1243.26
    p-tert-butyltoluene 641.94
    methyl 4-tert-butylbenzoate 888.01
    morpholine 5434.35
    tert-butylamine 3104.85
    n-dodecanol 496.48
    dimethoxymethane 1542.65
    ethylene carbonate 1181.15
    cyrene 722.93
    2-ethoxyethyl acetate 1758.42
    2-ethylhexyl acetate 2265.36
    1,2,4-trichlorobenzene 1299.65
    4-methylpyridine 2976.81
    dibutyl ether 2517.02
    2,6-dimethyl-4-heptanol 1078.83
    DEF 2154.28
    dimethyl isosorbide 1707.39
    tetrachloroethylene 2097.82
    eugenol 807.94
    triacetin 1259.51
    span 80 1235.25
    1,4-butanediol 417.52
    1,1-dichloroethane 3396.03
    2-methyl-1-pentanol 1935.06
    methyl formate 438.79
    2-methyl-1-butanol 2548.56
    n-decane 318.62
    butyronitrile 3116.2
    3,7-dimethyl-1-octanol 1228.76
    1-chlorooctane 992.85
    1-chlorotetradecane 331.85
    n-nonane 373.17
    undecane 204.28
    tert-butylcyclohexane 531.42
    cyclooctane 575.47
    cyclopentanol 2151.66
    tetrahydropyran 7016.57
    tert-amyl methyl ether 2496.86
    2,5,8-trioxanonane 1744.7
    1-hexene 3460.65
    2-isopropoxyethanol 1313.08
    2,2,2-trifluoroethanol 213.83
    methyl butyrate 2157.16

    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