6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    81782-89-0

    Molecular formula
    C13H22O

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 72.69%
    Citrus 65.14%
    Fruity 58.36%
    Fresh 53.28%
    Floral 50.71%
    Sweet 44.86%
    Lavender 41.94%
    Bergamot 40.57%
    Green 36.91%
    Rose 36.6%

     

    Flavor
    Green 56.5%
    Herbal 52.52%
    Herb 40.95%
    Woody 39.57%
    Citrus 36.2%
    Bergamot 32.01%
    Lavender 30.54%
    Tropical 28.77%
    Sweet 26.64%
    Floral 26.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.86 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 89.13 ˚C est.

  • Synonyms

    • 2,4,4,7-Tetramethylnona-6,8-dien-3-one
    • 6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-
    • 81782-89-0
    • EINECS 279-816-6
    • DTXSID3072874
    • RefChem:538827
    • DTXCID3048235
    • 279-816-6
    • SCHEMBL2250239
    • TWJFINAHYOYYOB-DHZHZOJOSA-N
    • 81782-89-0

  • Applications

    6,8-Nonadien-3-one, 2,4,4,7-tetramethyl- (CAS number: 81782-89-0) is typically used in fragrance chemistry as an aroma ingredient and odorant, where it can serve as a fragrance note and, in some formulations, as a fixative to help preserve scent profile. It is commonly incorporated into cosmetics and personal care products to impart or reinforce fragrance in creams, lotions, shampoos, and similar preparations. In household products, it may function as a scent additive for cleaners, detergents, and air-freshener formulations. Additionally, it is employed as an intermediate in industrial manufacturing for the synthesis of fragrance-related intermediates and other specialty chemicals, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1654.7
    methanol 1391.46
    isopropanol 1852.99
    water 1.74
    ethyl acetate 3231.36
    n-propanol 1836.55
    acetone 2544.25
    n-butanol 2211.53
    acetonitrile 2134.26
    DMF 2847.6
    toluene 2731.58
    isobutanol 2075.23
    1,4-dioxane 3235.55
    methyl acetate 2319.44
    THF 4257.43
    2-butanone 2867.12
    n-pentanol 1589.84
    sec-butanol 2469.67
    n-hexane 1720.8
    ethylene glycol 125.27
    NMP 2565.34
    cyclohexane 1715.62
    DMSO 988.79
    n-butyl acetate 3297.06
    n-octanol 1295.68
    chloroform 6349.03
    n-propyl acetate 2007.59
    acetic acid 1284.71
    dichloromethane 4718.08
    cyclohexanone 4193.78
    propylene glycol 288.54
    isopropyl acetate 2641.09
    DMAc 2787.45
    2-ethoxyethanol 1364.49
    isopentanol 2567.36
    n-heptane 706.45
    ethyl formate 1500.07
    1,2-dichloroethane 3087.81
    n-hexanol 2648.14
    2-methoxyethanol 1781.5
    isobutyl acetate 1493.49
    tetrachloromethane 2048.76
    n-pentyl acetate 1947.35
    transcutol 4373.87
    n-heptanol 1266.74
    ethylbenzene 1823.32
    MIBK 2164.4
    2-propoxyethanol 2194.27
    tert-butanol 3012.92
    MTBE 5221.41
    2-butoxyethanol 1490.76
    propionic acid 1120.4
    o-xylene 1926.54
    formic acid 301.31
    diethyl ether 3967.66
    m-xylene 1986.21
    p-xylene 2273.09
    chlorobenzene 2581.94
    dimethyl carbonate 777.58
    n-octane 292.1
    formamide 470.05
    cyclopentanone 3225.41
    2-pentanone 2973.77
    anisole 2153.05
    cyclopentyl methyl ether 3204.11
    gamma-butyrolactone 2999.88
    1-methoxy-2-propanol 1643.24
    pyridine 3013.49
    3-pentanone 2366.15
    furfural 2530.88
    n-dodecane 142.76
    diethylene glycol 857.46
    diisopropyl ether 1949.47
    tert-amyl alcohol 3489.98
    acetylacetone 2232.68
    n-hexadecane 166.71
    acetophenone 1802.44
    methyl propionate 1907.03
    isopentyl acetate 3163.68
    trichloroethylene 6015.09
    n-nonanol 1082.6
    cyclohexanol 2658.59
    benzyl alcohol 1281.25
    2-ethylhexanol 2016.73
    isooctanol 1152.95
    dipropyl ether 2011.73
    1,2-dichlorobenzene 2298.48
    ethyl lactate 638.56
    propylene carbonate 2114.41
    n-methylformamide 1128.98
    2-pentanol 2342.31
    n-pentane 1164.48
    1-propoxy-2-propanol 1924.18
    1-methoxy-2-propyl acetate 2181.17
    2-(2-methoxypropoxy) propanol 1116.01
    mesitylene 1335.01
    ε-caprolactone 3389.39
    p-cymene 1011.96
    epichlorohydrin 3755.32
    1,1,1-trichloroethane 5077.28
    2-aminoethanol 441.24
    morpholine-4-carbaldehyde 2693.29
    sulfolane 2408.03
    2,2,4-trimethylpentane 650.13
    2-methyltetrahydrofuran 4387.05
    n-hexyl acetate 2751.11
    isooctane 497.01
    2-(2-butoxyethoxy)ethanol 1572.63
    sec-butyl acetate 1937.0
    tert-butyl acetate 2745.07
    decalin 796.7
    glycerin 325.84
    diglyme 2705.22
    acrylic acid 777.99
    isopropyl myristate 832.77
    n-butyric acid 2459.66
    acetyl acetate 1673.73
    di(2-ethylhexyl) phthalate 614.7
    ethyl propionate 1843.58
    nitromethane 2112.95
    1,2-diethoxyethane 2554.88
    benzonitrile 2023.0
    trioctyl phosphate 474.76
    1-bromopropane 2999.46
    gamma-valerolactone 3635.95
    n-decanol 693.89
    triethyl phosphate 724.85
    4-methyl-2-pentanol 1550.73
    propionitrile 2142.3
    vinylene carbonate 1893.49
    1,1,2-trichlorotrifluoroethane 1841.69
    DMS 1354.97
    cumene 1245.62
    2-octanol 1111.61
    2-hexanone 2050.14
    octyl acetate 1014.06
    limonene 1552.0
    1,2-dimethoxyethane 2732.56
    ethyl orthosilicate 830.19
    tributyl phosphate 648.19
    diacetone alcohol 1892.86
    N,N-dimethylaniline 1563.82
    acrylonitrile 1849.73
    aniline 1810.36
    1,3-propanediol 881.92
    bromobenzene 2957.07
    dibromomethane 3683.27
    1,1,2,2-tetrachloroethane 4875.71
    2-methyl-cyclohexyl acetate 1555.87
    tetrabutyl urea 720.69
    diisobutyl methanol 1030.32
    2-phenylethanol 1552.08
    styrene 1878.55
    dioctyl adipate 875.0
    dimethyl sulfate 946.61
    ethyl butyrate 1952.71
    methyl lactate 623.31
    butyl lactate 1082.46
    diethyl carbonate 1198.53
    propanediol butyl ether 1087.24
    triethyl orthoformate 1287.45
    p-tert-butyltoluene 1022.14
    methyl 4-tert-butylbenzoate 1326.79
    morpholine 3485.74
    tert-butylamine 2686.79
    n-dodecanol 478.91
    dimethoxymethane 1966.05
    ethylene carbonate 1671.02
    cyrene 901.82
    2-ethoxyethyl acetate 1860.13
    2-ethylhexyl acetate 2617.49
    1,2,4-trichlorobenzene 2376.53
    4-methylpyridine 4330.49
    dibutyl ether 1945.2
    2,6-dimethyl-4-heptanol 1030.32
    DEF 3276.57
    dimethyl isosorbide 1926.76
    tetrachloroethylene 3518.15
    eugenol 1074.46
    triacetin 1367.04
    span 80 1051.43
    1,4-butanediol 387.0
    1,1-dichloroethane 4321.77
    2-methyl-1-pentanol 2000.69
    methyl formate 926.63
    2-methyl-1-butanol 2585.26
    n-decane 302.09
    butyronitrile 2816.95
    3,7-dimethyl-1-octanol 1311.1
    1-chlorooctane 1118.81
    1-chlorotetradecane 354.64
    n-nonane 345.09
    undecane 195.71
    tert-butylcyclohexane 805.78
    cyclooctane 676.58
    cyclopentanol 1865.15
    tetrahydropyran 4544.91
    tert-amyl methyl ether 3832.35
    2,5,8-trioxanonane 1506.87
    1-hexene 2864.75
    2-isopropoxyethanol 1258.51
    2,2,2-trifluoroethanol 492.39
    methyl butyrate 2442.31

    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