2,6-Dimethyl-2,5-heptadiene

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  • Identifiers

    CAS number
    6090-16-0

    Molecular formula
    C9H16

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

    Safety labels

  • Odor profile

    Fragrance
    Citrus 70.11%
    Herbal 65.48%
    Floral 59.25%
    Sweet 59.2%
    Lemon 58.21%
    Woody 55.47%
    Terpenic 54.37%
    Fresh 54.01%
    Green 51.22%
    Tropical 43.59%

     

    Flavor
    Citrus 62.68%
    Sweet 60.72%
    Green 54.22%
    Woody 37.73%
    Lemon 33.78%
    Floral 33.73%
    Spicy 32.61%
    Fresh 32.28%
    Lavender 31.03%
    Balsam 30.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.68 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 27.82 ˚C est.

  • Synonyms

    • 2,6-dimethyl-2,5-heptadiene
    • 6090-16-0
    • DTXSID40334795
    • RefChem:83281
    • DTXCID90285884
    • WCMUAGGUXKQBSS-UHFFFAOYSA-N
    • 2,6-dimethylhepta-2,5-diene
    • Isogeraniolen
    • SCHEMBL1305942
    • SCHEMBL5985428
    • SCHEMBL5985432
    • SCHEMBL5986236
    • SCHEMBL5986241
    • SCHEMBL8401711
    • SCHEMBL17865541
    • 2,6-dimethyl-hepta-2,5-diene
    • 6090-16-0

  • Applications

    2,6-Dimethyl-2,5-heptadiene (CAS 6090-16-0) is an industrial chemical intermediate with potential applications across organic synthesis. In polymers/plastics, it can serve as a monomer or comonomer for specialty polyenes and copolymers. In coatings and inks, it may be used as a precursor or reactive monomer for formulated coatings and printed materials. In industrial manufacturing, it provides a building block for further chemical transformations and intermediate products. Additionally, it may be evaluated as a fragrance chemistry precursor for aroma compound synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.11
    methanol 39.36
    isopropanol 81.86
    water 0.07
    ethyl acetate 188.8
    n-propanol 83.79
    acetone 112.02
    n-butanol 118.3
    acetonitrile 71.42
    DMF 80.66
    toluene 215.45
    isobutanol 68.12
    1,4-dioxane 358.54
    methyl acetate 115.12
    THF 625.65
    2-butanone 141.31
    n-pentanol 89.19
    sec-butanol 112.3
    n-hexane 351.17
    ethylene glycol 8.49
    NMP 178.09
    cyclohexane 427.8
    DMSO 79.58
    n-butyl acetate 367.35
    n-octanol 155.72
    chloroform 417.35
    n-propyl acetate 131.97
    acetic acid 58.09
    dichloromethane 272.16
    cyclohexanone 254.05
    propylene glycol 23.3
    isopropyl acetate 153.29
    DMAc 136.91
    2-ethoxyethanol 75.05
    isopentanol 104.85
    n-heptane 730.25
    ethyl formate 61.38
    1,2-dichloroethane 166.88
    n-hexanol 290.18
    2-methoxyethanol 94.95
    isobutyl acetate 112.87
    tetrachloromethane 122.76
    n-pentyl acetate 162.17
    transcutol 371.18
    n-heptanol 143.1
    ethylbenzene 161.31
    MIBK 121.9
    2-propoxyethanol 225.84
    tert-butanol 142.43
    MTBE 255.87
    2-butoxyethanol 130.39
    propionic acid 56.92
    o-xylene 152.82
    formic acid 7.92
    diethyl ether 291.68
    m-xylene 159.39
    p-xylene 182.48
    chlorobenzene 158.52
    dimethyl carbonate 37.5
    n-octane 172.72
    formamide 12.89
    cyclopentanone 248.97
    2-pentanone 160.64
    anisole 183.13
    cyclopentyl methyl ether 368.85
    gamma-butyrolactone 192.09
    1-methoxy-2-propanol 108.11
    pyridine 239.43
    3-pentanone 140.16
    furfural 145.41
    n-dodecane 87.88
    diethylene glycol 71.76
    diisopropyl ether 171.18
    tert-amyl alcohol 157.23
    acetylacetone 138.8
    n-hexadecane 99.4
    acetophenone 130.28
    methyl propionate 112.87
    isopentyl acetate 303.13
    trichloroethylene 251.7
    n-nonanol 162.86
    cyclohexanol 170.76
    benzyl alcohol 75.32
    2-ethylhexanol 316.95
    isooctanol 118.53
    dipropyl ether 671.93
    1,2-dichlorobenzene 143.35
    ethyl lactate 51.4
    propylene carbonate 139.91
    n-methylformamide 28.44
    2-pentanol 120.31
    n-pentane 224.12
    1-propoxy-2-propanol 285.19
    1-methoxy-2-propyl acetate 251.18
    2-(2-methoxypropoxy) propanol 189.86
    mesitylene 122.31
    ε-caprolactone 227.45
    p-cymene 200.64
    epichlorohydrin 221.68
    1,1,1-trichloroethane 263.43
    2-aminoethanol 25.68
    morpholine-4-carbaldehyde 185.41
    sulfolane 197.45
    2,2,4-trimethylpentane 96.57
    2-methyltetrahydrofuran 501.99
    n-hexyl acetate 253.4
    isooctane 80.25
    2-(2-butoxyethoxy)ethanol 205.56
    sec-butyl acetate 135.88
    tert-butyl acetate 203.54
    decalin 181.82
    glycerin 23.87
    diglyme 341.46
    acrylic acid 38.16
    isopropyl myristate 171.89
    n-butyric acid 110.07
    acetyl acetate 121.51
    di(2-ethylhexyl) phthalate 108.05
    ethyl propionate 146.37
    nitromethane 63.78
    1,2-diethoxyethane 337.35
    benzonitrile 106.33
    trioctyl phosphate 86.29
    1-bromopropane 258.85
    gamma-valerolactone 226.18
    n-decanol 132.92
    triethyl phosphate 147.39
    4-methyl-2-pentanol 88.71
    propionitrile 86.04
    vinylene carbonate 93.02
    1,1,2-trichlorotrifluoroethane 118.41
    DMS 120.3
    cumene 119.56
    2-octanol 113.65
    2-hexanone 155.71
    octyl acetate 183.72
    limonene 361.72
    1,2-dimethoxyethane 232.41
    ethyl orthosilicate 163.78
    tributyl phosphate 103.89
    diacetone alcohol 146.14
    N,N-dimethylaniline 154.89
    acrylonitrile 62.34
    aniline 127.75
    1,3-propanediol 42.11
    bromobenzene 204.75
    dibromomethane 268.77
    1,1,2,2-tetrachloroethane 263.96
    2-methyl-cyclohexyl acetate 270.82
    tetrabutyl urea 134.81
    diisobutyl methanol 206.52
    2-phenylethanol 158.39
    styrene 163.89
    dioctyl adipate 190.2
    dimethyl sulfate 46.27
    ethyl butyrate 304.39
    methyl lactate 43.64
    butyl lactate 93.89
    diethyl carbonate 186.34
    propanediol butyl ether 85.46
    triethyl orthoformate 273.07
    p-tert-butyltoluene 213.86
    methyl 4-tert-butylbenzoate 181.62
    morpholine 359.56
    tert-butylamine 153.94
    n-dodecanol 117.46
    dimethoxymethane 109.09
    ethylene carbonate 92.56
    cyrene 116.71
    2-ethoxyethyl acetate 161.19
    2-ethylhexyl acetate 313.3
    1,2,4-trichlorobenzene 166.56
    4-methylpyridine 220.68
    dibutyl ether 391.13
    2,6-dimethyl-4-heptanol 206.52
    DEF 161.2
    dimethyl isosorbide 339.13
    tetrachloroethylene 167.77
    eugenol 129.03
    triacetin 175.52
    span 80 226.02
    1,4-butanediol 18.12
    1,1-dichloroethane 190.47
    2-methyl-1-pentanol 94.2
    methyl formate 22.43
    2-methyl-1-butanol 101.7
    n-decane 160.54
    butyronitrile 125.89
    3,7-dimethyl-1-octanol 185.18
    1-chlorooctane 235.13
    1-chlorotetradecane 115.66
    n-nonane 182.66
    undecane 112.47
    tert-butylcyclohexane 166.31
    cyclooctane 251.73
    cyclopentanol 139.82
    tetrahydropyran 557.78
    tert-amyl methyl ether 254.98
    2,5,8-trioxanonane 265.33
    1-hexene 364.31
    2-isopropoxyethanol 78.58
    2,2,2-trifluoroethanol 16.46
    methyl butyrate 162.36

    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