3,7-Dimethylocta-2,6-dienyl 3-oxobutanoate

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  • Identifiers

    CAS number
    61759-64-6

    Molecular formula
    C14H22O3

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

  • Odor profile

    Fragrance
    Fruity 85.88%
    Floral 72.1%
    Sweet 71.75%
    Rose 69.66%
    Green 68.19%
    Woody 48.77%
    Waxy 48.28%
    Citrus 47.58%
    Apple 47.02%
    Winey 46.36%

     

    Flavor
    Green 60.12%
    Fruity 52.47%
    Floral 49.64%
    Rose 42.67%
    Sweet 42.17%
    Tropical 36.08%
    Waxy 35.67%
    Bitter 34.58%
    Woody 34.44%
    Fresh 30.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.75 (weak base)

    Molecular weight
    238.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 135.31 ˚C est.

  • Synonyms

    • 61759-64-6
    • DTXSID50864194
    • 3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate

  • Applications

    3,7-Dimethylocta-2,6-dienyl 3-oxobutanoate (CAS 61759-64-6) is primarily used as a synthetic building block in fragrance chemistry, serving as a fragrance ingredient in perfumery and as a precursor for aroma compounds in flavor applications; it also has potential use in cosmetics and personal care formulations as a fragrance component, and may be employed in household products to impart a pleasant scent; it can function as an intermediate in industrial manufacturing for the synthesis of more complex aroma chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 574.5
    methanol 611.79
    isopropanol 488.52
    water 0.85
    ethyl acetate 252.29
    n-propanol 355.21
    acetone 500.15
    n-butanol 323.94
    acetonitrile 236.1
    DMF 602.99
    toluene 97.23
    isobutanol 262.33
    1,4-dioxane 750.37
    methyl acetate 250.51
    THF 1053.07
    2-butanone 283.52
    n-pentanol 233.98
    sec-butanol 345.36
    n-hexane 24.58
    ethylene glycol 80.23
    NMP 539.65
    cyclohexane 38.09
    DMSO 570.61
    n-butyl acetate 147.01
    n-octanol 112.75
    chloroform 730.68
    n-propyl acetate 157.81
    acetic acid 404.5
    dichloromethane 439.78
    cyclohexanone 390.11
    propylene glycol 283.29
    isopropyl acetate 176.38
    DMAc 741.73
    2-ethoxyethanol 397.25
    isopentanol 261.55
    n-heptane 11.38
    ethyl formate 147.03
    1,2-dichloroethane 242.16
    n-hexanol 210.7
    2-methoxyethanol 744.81
    isobutyl acetate 126.19
    tetrachloromethane 62.14
    n-pentyl acetate 99.92
    transcutol 1264.26
    n-heptanol 88.44
    ethylbenzene 70.86
    MIBK 172.05
    2-propoxyethanol 446.8
    tert-butanol 595.19
    MTBE 291.93
    2-butoxyethanol 203.48
    propionic acid 247.7
    o-xylene 74.55
    formic acid 125.92
    diethyl ether 238.0
    m-xylene 84.59
    p-xylene 100.1
    chlorobenzene 129.77
    dimethyl carbonate 93.53
    n-octane 5.63
    formamide 167.88
    cyclopentanone 446.8
    2-pentanone 230.35
    anisole 207.8
    cyclopentyl methyl ether 323.91
    gamma-butyrolactone 448.8
    1-methoxy-2-propanol 624.91
    pyridine 288.02
    3-pentanone 158.8
    furfural 353.09
    n-dodecane 6.48
    diethylene glycol 345.39
    diisopropyl ether 67.78
    tert-amyl alcohol 380.63
    acetylacetone 291.48
    n-hexadecane 7.51
    acetophenone 173.61
    methyl propionate 205.25
    isopentyl acetate 153.36
    trichloroethylene 501.36
    n-nonanol 104.0
    cyclohexanol 303.43
    benzyl alcohol 197.95
    2-ethylhexanol 112.42
    isooctanol 74.73
    dipropyl ether 110.84
    1,2-dichlorobenzene 125.22
    ethyl lactate 127.67
    propylene carbonate 252.59
    n-methylformamide 228.24
    2-pentanol 204.94
    n-pentane 17.29
    1-propoxy-2-propanol 294.84
    1-methoxy-2-propyl acetate 230.31
    2-(2-methoxypropoxy) propanol 305.9
    mesitylene 55.59
    ε-caprolactone 346.55
    p-cymene 44.83
    epichlorohydrin 523.45
    1,1,1-trichloroethane 287.64
    2-aminoethanol 253.19
    morpholine-4-carbaldehyde 621.14
    sulfolane 487.92
    2,2,4-trimethylpentane 14.19
    2-methyltetrahydrofuran 558.38
    n-hexyl acetate 198.43
    isooctane 10.48
    2-(2-butoxyethoxy)ethanol 387.91
    sec-butyl acetate 129.05
    tert-butyl acetate 220.67
    decalin 24.07
    glycerin 285.31
    diglyme 594.9
    acrylic acid 174.57
    isopropyl myristate 81.79
    n-butyric acid 325.18
    acetyl acetate 170.62
    di(2-ethylhexyl) phthalate 94.01
    ethyl propionate 149.65
    nitromethane 459.81
    1,2-diethoxyethane 257.42
    benzonitrile 162.36
    trioctyl phosphate 58.62
    1-bromopropane 151.61
    gamma-valerolactone 644.41
    n-decanol 74.54
    triethyl phosphate 86.43
    4-methyl-2-pentanol 125.85
    propionitrile 173.84
    vinylene carbonate 205.14
    1,1,2-trichlorotrifluoroethane 473.1
    DMS 164.3
    cumene 56.7
    2-octanol 66.39
    2-hexanone 183.32
    octyl acetate 107.38
    limonene 68.12
    1,2-dimethoxyethane 583.11
    ethyl orthosilicate 87.44
    tributyl phosphate 81.78
    diacetone alcohol 346.64
    N,N-dimethylaniline 153.21
    acrylonitrile 175.06
    aniline 197.24
    1,3-propanediol 364.41
    bromobenzene 116.85
    dibromomethane 284.27
    1,1,2,2-tetrachloroethane 521.45
    2-methyl-cyclohexyl acetate 144.23
    tetrabutyl urea 111.18
    diisobutyl methanol 64.99
    2-phenylethanol 175.41
    styrene 81.86
    dioctyl adipate 136.65
    dimethyl sulfate 148.74
    ethyl butyrate 125.39
    methyl lactate 165.29
    butyl lactate 122.99
    diethyl carbonate 96.59
    propanediol butyl ether 269.87
    triethyl orthoformate 114.3
    p-tert-butyltoluene 46.17
    methyl 4-tert-butylbenzoate 184.04
    morpholine 980.65
    tert-butylamine 299.74
    n-dodecanol 55.71
    dimethoxymethane 371.55
    ethylene carbonate 180.33
    cyrene 248.64
    2-ethoxyethyl acetate 179.97
    2-ethylhexyl acetate 115.67
    1,2,4-trichlorobenzene 168.68
    4-methylpyridine 305.83
    dibutyl ether 121.87
    2,6-dimethyl-4-heptanol 64.99
    DEF 258.32
    dimethyl isosorbide 428.91
    tetrachloroethylene 249.87
    eugenol 180.74
    triacetin 238.73
    span 80 253.82
    1,4-butanediol 142.36
    1,1-dichloroethane 314.87
    2-methyl-1-pentanol 199.23
    methyl formate 150.58
    2-methyl-1-butanol 227.23
    n-decane 11.45
    butyronitrile 192.99
    3,7-dimethyl-1-octanol 119.77
    1-chlorooctane 56.86
    1-chlorotetradecane 24.58
    n-nonane 10.43
    undecane 8.26
    tert-butylcyclohexane 25.51
    cyclooctane 10.35
    cyclopentanol 323.15
    tetrahydropyran 603.73
    tert-amyl methyl ether 199.23
    2,5,8-trioxanonane 474.66
    1-hexene 92.15
    2-isopropoxyethanol 271.47
    2,2,2-trifluoroethanol 106.15
    methyl butyrate 190.99

    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