2,6-Dimethylocta-2,6-diene

  • Identifiers

    Molecular formula
    C10H18

    SMILES
    CC=C(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Floral 70.14%
    Citrus 69.87%
    Herbal 65.48%
    Lemon 55.96%
    Sweet 54.51%
    Fresh 51.01%
    Terpenic 50.59%
    Woody 48.41%
    Tropical 42.94%
    Green 35.67%

     

    Flavor
    Citrus 55.19%
    Sweet 46.27%
    Floral 36.0%
    Balsam 32.31%
    Fresh 31.5%
    Woody 30.75%
    Green 30.43%
    Wood 30.2%
    Spicy 28.0%
    Waxy 26.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.91 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point

    • 42.39 ˚C est.

  • Synonyms

    • 2,6-dimethylocta-2,6-diene
    • DTXSID60862969
    • 2,6-Octadiene,2,6-dimethyl-
    • 2,6-dimethyl oct-2,6-diene
    • 2,6-dimethyl-octa-2,6-diene
    • DTXCID70811660
    • DB-046831
    • DS-012637
    • NS00123654
  • Applications

    2,6-Dimethylocta-2,6-diene is primarily used as a reactive diene building block in organic synthesis and specialty polymer chemistry, frequently employed as a monomer or key intermediate for the production of engineered plastics, rubbers, and resin systems; it is also used as an intermediate in the synthesis of fine chemicals for pharmaceutical and agricultural (agrochemical) applications; in coatings, inks, and UV-curable formulations it can serve as a crosslinking agent or structural modifier to improve cure and performance; in advanced materials and electronics research, it offers potential as a precursor for conjugated polymer systems and related materials; in R&D settings it is evaluated as a versatile building block for accessing more complex structures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.03
    methanol 178.61
    isopropanol 302.93
    water 0.08
    ethyl acetate 713.1
    n-propanol 330.23
    acetone 297.79
    n-butanol 513.87
    acetonitrile 220.13
    DMF 167.19
    toluene 763.79
    isobutanol 251.84
    1,4-dioxane 1332.72
    methyl acetate 329.48
    THF 1741.99
    2-butanone 448.27
    n-pentanol 369.76
    sec-butanol 443.93
    n-hexane 1411.96
    ethylene glycol 21.83
    NMP 300.73
    cyclohexane 1518.25
    DMSO 183.59
    n-butyl acetate 1398.66
    n-octanol 418.48
    chloroform 1202.75
    n-propyl acetate 437.13
    acetic acid 139.71
    dichloromethane 809.8
    cyclohexanone 680.9
    propylene glycol 58.67
    isopropyl acetate 566.42
    DMAc 276.38
    2-ethoxyethanol 296.82
    isopentanol 473.46
    n-heptane 1967.72
    ethyl formate 159.49
    1,2-dichloroethane 554.13
    n-hexanol 1093.53
    2-methoxyethanol 317.85
    isobutyl acetate 346.25
    tetrachloromethane 351.09
    n-pentyl acetate 483.39
    transcutol 1592.04
    n-heptanol 426.93
    ethylbenzene 500.53
    MIBK 391.58
    2-propoxyethanol 767.13
    tert-butanol 555.13
    MTBE 1286.89
    2-butoxyethanol 391.9
    propionic acid 141.82
    o-xylene 443.73
    formic acid 19.2
    diethyl ether 1658.39
    m-xylene 458.11
    p-xylene 493.55
    chlorobenzene 422.35
    dimethyl carbonate 72.67
    n-octane 399.83
    formamide 31.17
    cyclopentanone 474.92
    2-pentanone 535.21
    anisole 552.81
    cyclopentyl methyl ether 1123.18
    gamma-butyrolactone 356.52
    1-methoxy-2-propanol 331.1
    pyridine 784.63
    3-pentanone 446.81
    furfural 309.36
    n-dodecane 169.11
    diethylene glycol 205.52
    diisopropyl ether 790.52
    tert-amyl alcohol 656.5
    acetylacetone 363.66
    n-hexadecane 196.14
    acetophenone 319.19
    methyl propionate 305.22
    isopentyl acetate 1097.81
    trichloroethylene 751.13
    n-nonanol 434.22
    cyclohexanol 567.42
    benzyl alcohol 196.1
    2-ethylhexanol 1122.91
    isooctanol 351.79
    dipropyl ether 2542.19
    1,2-dichlorobenzene 372.81
    ethyl lactate 116.15
    propylene carbonate 269.69
    n-methylformamide 65.42
    2-pentanol 488.24
    n-pentane 896.94
    1-propoxy-2-propanol 900.16
    1-methoxy-2-propyl acetate 797.65
    2-(2-methoxypropoxy) propanol 513.54
    mesitylene 334.05
    ε-caprolactone 600.51
    p-cymene 529.12
    epichlorohydrin 590.23
    1,1,1-trichloroethane 810.44
    2-aminoethanol 72.01
    morpholine-4-carbaldehyde 414.43
    sulfolane 339.82
    2,2,4-trimethylpentane 347.4
    2-methyltetrahydrofuran 1658.77
    n-hexyl acetate 699.13
    isooctane 267.72
    2-(2-butoxyethoxy)ethanol 606.09
    sec-butyl acetate 453.16
    tert-butyl acetate 709.94
    decalin 541.0
    glycerin 61.67
    diglyme 1130.08
    acrylic acid 79.18
    isopropyl myristate 408.47
    n-butyric acid 363.58
    acetyl acetate 361.44
    di(2-ethylhexyl) phthalate 238.37
    ethyl propionate 428.5
    nitromethane 151.12
    1,2-diethoxyethane 1632.15
    benzonitrile 283.14
    trioctyl phosphate 176.01
    1-bromopropane 1006.35
    gamma-valerolactone 522.07
    n-decanol 325.81
    triethyl phosphate 351.13
    4-methyl-2-pentanol 338.39
    propionitrile 308.65
    vinylene carbonate 188.31
    1,1,2-trichlorotrifluoroethane 283.16
    DMS 265.17
    cumene 335.52
    2-octanol 311.98
    2-hexanone 546.26
    octyl acetate 435.37
    limonene 1022.55
    1,2-dimethoxyethane 886.98
    ethyl orthosilicate 440.21
    tributyl phosphate 236.6
    diacetone alcohol 404.46
    N,N-dimethylaniline 402.5
    acrylonitrile 181.22
    aniline 376.26
    1,3-propanediol 143.26
    bromobenzene 554.46
    dibromomethane 824.23
    1,1,2,2-tetrachloroethane 829.53
    2-methyl-cyclohexyl acetate 764.96
    tetrabutyl urea 285.05
    diisobutyl methanol 600.16
    2-phenylethanol 438.24
    styrene 511.29
    dioctyl adipate 434.75
    dimethyl sulfate 83.31
    ethyl butyrate 1038.66
    methyl lactate 88.5
    butyl lactate 217.26
    diethyl carbonate 525.45
    propanediol butyl ether 222.96
    triethyl orthoformate 884.48
    p-tert-butyltoluene 525.77
    methyl 4-tert-butylbenzoate 384.36
    morpholine 1351.75
    tert-butylamine 634.55
    n-dodecanol 262.29
    dimethoxymethane 291.6
    ethylene carbonate 205.99
    cyrene 221.2
    2-ethoxyethyl acetate 501.82
    2-ethylhexyl acetate 1176.43
    1,2,4-trichlorobenzene 428.84
    4-methylpyridine 683.01
    dibutyl ether 1418.81
    2,6-dimethyl-4-heptanol 600.16
    DEF 486.14
    dimethyl isosorbide 748.48
    tetrachloroethylene 516.7
    eugenol 271.72
    triacetin 401.62
    span 80 527.64
    1,4-butanediol 50.55
    1,1-dichloroethane 602.3
    2-methyl-1-pentanol 425.66
    methyl formate 41.97
    2-methyl-1-butanol 428.17
    n-decane 355.24
    butyronitrile 489.17
    3,7-dimethyl-1-octanol 534.21
    1-chlorooctane 621.46
    1-chlorotetradecane 246.36
    n-nonane 408.89
    undecane 231.24
    tert-butylcyclohexane 479.08
    cyclooctane 761.24
    cyclopentanol 345.26
    tetrahydropyran 2109.64
    tert-amyl methyl ether 1139.68
    2,5,8-trioxanonane 761.51
    1-hexene 1619.3
    2-isopropoxyethanol 289.87
    2,2,2-trifluoroethanol 28.92
    methyl butyrate 450.85

    Scent© AI

1 of 4
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