(3E)-6,10-Dimethyl-3-undecen-2-one

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  • Identifiers

    CAS number
    72962-76-6

    Molecular formula
    C13H24O

    SMILES
    CC(C)CCCC(C)C/C=C/C(=O)C

  • Odor profile

    Fragrance
    Floral 80.03%
    Woody 69.01%
    Sweet 68.52%
    Fruity 56.02%
    Waxy 50.01%
    Rose 49.79%
    Fresh 48.39%
    Dry 40.78%
    Citrus 40.02%
    Powdery 39.89%

     

    Flavor
    Floral 58.65%
    Fruity 50.03%
    Herbal 43.78%
    Woody 42.69%
    Citrus 37.36%
    Waxy 29.01%
    Spicy 28.33%
    Oily 28.08%
    Orange 27.47%
    Fresh 26.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.62 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 100.59 ˚C est.

  • Synonyms

    • DTXSID001015703
    • 72962-76-6
    • (3E)-6,10-Dimethyl-3-undecen-2-one
    • 6,10-dimethylundec-3-en-2-one
    • Undecen-2-one, 6,10-dimethyl-
    • SCHEMBL2502156
    • DTXCID10831105

  • Applications

    (3E)-6,10-Dimethyl-3-undecen-2-one (CAS 72962-76-6) is used in fragrance chemistry as an odorant and, in some formulations, as a fixative or scent component. It is commonly employed in cosmetics and personal care products to impart or stabilize specific notes in perfumes and scented lotions. In household products such as detergents and air fresheners, it serves as a fragrance ingredient to contribute long-lasting aroma. In coatings and inks, it may be added as a fragrance additive to introduce or enhance scent without significantly affecting performance. In industrial manufacturing, this ketone can function as an intermediate or building block in fragrance synthesis and related organic processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3641.28
    methanol 2511.2
    isopropanol 3123.76
    water 0.15
    ethyl acetate 2385.84
    n-propanol 2574.04
    acetone 2819.09
    n-butanol 2627.9
    acetonitrile 1544.9
    DMF 1235.61
    toluene 953.55
    isobutanol 1894.43
    1,4-dioxane 3403.51
    methyl acetate 1372.95
    THF 4859.42
    2-butanone 2136.68
    n-pentanol 1807.8
    sec-butanol 2272.85
    n-hexane 1336.34
    ethylene glycol 159.5
    NMP 951.07
    cyclohexane 1270.18
    DMSO 1311.59
    n-butyl acetate 2256.74
    n-octanol 807.54
    chloroform 3273.28
    n-propyl acetate 1505.84
    acetic acid 979.64
    dichloromethane 2574.48
    cyclohexanone 2616.47
    propylene glycol 489.08
    isopropyl acetate 1627.29
    DMAc 874.22
    2-ethoxyethanol 1407.95
    isopentanol 2303.81
    n-heptane 678.47
    ethyl formate 898.48
    1,2-dichloroethane 1714.26
    n-hexanol 2636.01
    2-methoxyethanol 2087.28
    isobutyl acetate 949.83
    tetrachloromethane 621.04
    n-pentyl acetate 1027.26
    transcutol 4578.8
    n-heptanol 853.19
    ethylbenzene 558.48
    MIBK 1308.59
    2-propoxyethanol 2453.14
    tert-butanol 3396.78
    MTBE 3318.92
    2-butoxyethanol 1141.14
    propionic acid 890.52
    o-xylene 516.97
    formic acid 170.53
    diethyl ether 3602.45
    m-xylene 707.46
    p-xylene 660.93
    chlorobenzene 879.24
    dimethyl carbonate 206.96
    n-octane 174.36
    formamide 237.64
    cyclopentanone 2072.3
    2-pentanone 2362.61
    anisole 816.9
    cyclopentyl methyl ether 2396.15
    gamma-butyrolactone 1624.92
    1-methoxy-2-propanol 1870.52
    pyridine 1761.99
    3-pentanone 1183.98
    furfural 1130.2
    n-dodecane 86.3
    diethylene glycol 877.52
    diisopropyl ether 1137.31
    tert-amyl alcohol 2324.47
    acetylacetone 1473.57
    n-hexadecane 101.15
    acetophenone 611.47
    methyl propionate 1054.3
    isopentyl acetate 1951.01
    trichloroethylene 2401.24
    n-nonanol 656.15
    cyclohexanol 2194.96
    benzyl alcohol 639.12
    2-ethylhexanol 1525.26
    isooctanol 690.08
    dipropyl ether 2295.0
    1,2-dichlorobenzene 656.53
    ethyl lactate 400.24
    propylene carbonate 1019.52
    n-methylformamide 604.41
    2-pentanol 1986.4
    n-pentane 782.27
    1-propoxy-2-propanol 2184.88
    1-methoxy-2-propyl acetate 1565.15
    2-(2-methoxypropoxy) propanol 812.9
    mesitylene 452.12
    ε-caprolactone 1996.39
    p-cymene 422.75
    epichlorohydrin 2235.75
    1,1,1-trichloroethane 1898.14
    2-aminoethanol 604.28
    morpholine-4-carbaldehyde 1409.34
    sulfolane 1387.73
    2,2,4-trimethylpentane 251.78
    2-methyltetrahydrofuran 4129.6
    n-hexyl acetate 1479.97
    isooctane 248.12
    2-(2-butoxyethoxy)ethanol 1317.01
    sec-butyl acetate 1095.35
    tert-butyl acetate 1557.19
    decalin 387.02
    glycerin 398.78
    diglyme 2131.34
    acrylic acid 468.68
    isopropyl myristate 475.73
    n-butyric acid 2108.84
    acetyl acetate 888.68
    di(2-ethylhexyl) phthalate 358.08
    ethyl propionate 1092.2
    nitromethane 1089.99
    1,2-diethoxyethane 2234.98
    benzonitrile 861.78
    trioctyl phosphate 290.31
    1-bromopropane 1971.24
    gamma-valerolactone 2400.78
    n-decanol 447.85
    triethyl phosphate 378.52
    4-methyl-2-pentanol 1023.74
    propionitrile 1315.96
    vinylene carbonate 754.97
    1,1,2-trichlorotrifluoroethane 1124.92
    DMS 564.5
    cumene 383.19
    2-octanol 591.38
    2-hexanone 1727.47
    octyl acetate 556.8
    limonene 882.78
    1,2-dimethoxyethane 2459.86
    ethyl orthosilicate 428.77
    tributyl phosphate 394.66
    diacetone alcohol 1329.02
    N,N-dimethylaniline 508.3
    acrylonitrile 927.77
    aniline 1021.52
    1,3-propanediol 1106.58
    bromobenzene 955.5
    dibromomethane 2178.7
    1,1,2,2-tetrachloroethane 2184.57
    2-methyl-cyclohexyl acetate 866.25
    tetrabutyl urea 430.95
    diisobutyl methanol 755.9
    2-phenylethanol 866.72
    styrene 660.05
    dioctyl adipate 589.18
    dimethyl sulfate 252.68
    ethyl butyrate 1381.75
    methyl lactate 364.59
    butyl lactate 656.02
    diethyl carbonate 650.52
    propanediol butyl ether 940.96
    triethyl orthoformate 857.48
    p-tert-butyltoluene 428.75
    methyl 4-tert-butylbenzoate 572.51
    morpholine 4419.92
    tert-butylamine 2564.92
    n-dodecanol 326.3
    dimethoxymethane 1217.92
    ethylene carbonate 775.27
    cyrene 544.85
    2-ethoxyethyl acetate 1092.5
    2-ethylhexyl acetate 1472.69
    1,2,4-trichlorobenzene 757.81
    4-methylpyridine 1883.38
    dibutyl ether 1577.97
    2,6-dimethyl-4-heptanol 755.9
    DEF 1428.41
    dimethyl isosorbide 1227.3
    tetrachloroethylene 1340.05
    eugenol 525.06
    triacetin 828.17
    span 80 869.39
    1,4-butanediol 375.89
    1,1-dichloroethane 2280.29
    2-methyl-1-pentanol 1416.17
    methyl formate 361.36
    2-methyl-1-butanol 1787.33
    n-decane 191.98
    butyronitrile 2092.38
    3,7-dimethyl-1-octanol 839.31
    1-chlorooctane 612.01
    1-chlorotetradecane 196.89
    n-nonane 220.69
    undecane 122.02
    tert-butylcyclohexane 380.63
    cyclooctane 385.4
    cyclopentanol 1691.69
    tetrahydropyran 5091.53
    tert-amyl methyl ether 1828.59
    2,5,8-trioxanonane 1203.32
    1-hexene 2673.77
    2-isopropoxyethanol 1096.74
    2,2,2-trifluoroethanol 174.75
    methyl butyrate 1467.97

    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