2,7-Dimethyl-2,6-octadiene

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  • Identifiers

    CAS number
    16736-42-8

    Molecular formula
    C10H18

    SMILES
    CC(=CCCC=C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 70.91%
    Floral 66.62%
    Herbal 61.84%
    Lemon 56.78%
    Sweet 53.79%
    Woody 51.1%
    Fresh 50.86%
    Terpenic 50.37%
    Tropical 39.06%
    Pine 37.6%

     

    Flavor
    Citrus 53.99%
    Sweet 47.58%
    Floral 39.0%
    Green 34.93%
    Balsam 34.14%
    Fresh 32.06%
    Rose 31.15%
    Woody 29.65%
    Wood 29.39%
    Spicy 28.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    11.4 (strong 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

    • 42.11 ˚C est.

  • Synonyms

    • 2,7-Dimethyl-2,6-octadiene
    • 16736-42-8
    • 2,7-dimethylocta-2,6-diene
    • 2,6-Octadiene, 2,7-dimethyl-
    • DTXSID40333960
    • RefChem:83427
    • DTXCID80285050
    • PSOPUECGKNQIPH-UHFFFAOYSA-N
    • SCHEMBL868859
    • SCHEMBL1276454
    • SCHEMBL1963425
    • 2,7-dimethyl-octa-2,6-diene
    • 2,6-Octadiene,2,7-dimethyl-
    • SCHEMBL28882250
    • AKOS006275111
    • DB-043693
    • 16736-42-8

  • Applications

    2,7-Dimethyl-2,6-octadiene (CAS 16736-42-8) is primarily used as a synthetic intermediate and serves as a monomer or crosslinking component in polymer systems to form networks and tailor thermo-mechanical properties; in coatings and paints, it can act as a monomer for UV/EB-curable formulations to increase crosslink density and durability. It is also applicable in adhesives as a reactive linking agent to improve bond strength. Additionally, it is often evaluated as a fragrance precursor and other specialty chemicals building blocks for industrial manufacturing, enabling downstream synthesis of diverse compounds. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 165.16
    methanol 113.55
    isopropanol 161.15
    water 0.15
    ethyl acetate 511.68
    n-propanol 202.47
    acetone 321.95
    n-butanol 274.81
    acetonitrile 171.96
    DMF 354.63
    toluene 645.2
    isobutanol 186.29
    1,4-dioxane 828.93
    methyl acetate 381.9
    THF 1120.89
    2-butanone 470.17
    n-pentanol 225.05
    sec-butanol 272.61
    n-hexane 1063.74
    ethylene glycol 24.99
    NMP 640.58
    cyclohexane 1006.77
    DMSO 216.12
    n-butyl acetate 802.72
    n-octanol 243.08
    chloroform 1170.36
    n-propyl acetate 388.13
    acetic acid 167.6
    dichloromethane 740.53
    cyclohexanone 703.18
    propylene glycol 57.91
    isopropyl acetate 485.43
    DMAc 590.86
    2-ethoxyethanol 227.77
    isopentanol 307.84
    n-heptane 783.37
    ethyl formate 146.99
    1,2-dichloroethane 571.39
    n-hexanol 494.0
    2-methoxyethanol 264.51
    isobutyl acetate 354.47
    tetrachloromethane 409.33
    n-pentyl acetate 362.65
    transcutol 1059.59
    n-heptanol 230.97
    ethylbenzene 504.63
    MIBK 378.86
    2-propoxyethanol 525.51
    tert-butanol 358.78
    MTBE 1078.45
    2-butoxyethanol 289.44
    propionic acid 180.85
    o-xylene 534.94
    formic acid 30.53
    diethyl ether 900.79
    m-xylene 478.02
    p-xylene 559.19
    chlorobenzene 489.21
    dimethyl carbonate 139.66
    n-octane 226.19
    formamide 43.04
    cyclopentanone 618.82
    2-pentanone 437.7
    anisole 566.79
    cyclopentyl methyl ether 933.31
    gamma-butyrolactone 482.89
    1-methoxy-2-propanol 273.32
    pyridine 588.79
    3-pentanone 529.17
    furfural 414.07
    n-dodecane 115.24
    diethylene glycol 171.22
    diisopropyl ether 603.29
    tert-amyl alcohol 521.6
    acetylacetone 448.23
    n-hexadecane 136.73
    acetophenone 399.72
    methyl propionate 342.8
    isopentyl acetate 820.69
    trichloroethylene 972.48
    n-nonanol 248.84
    cyclohexanol 412.29
    benzyl alcohol 204.92
    2-ethylhexanol 593.76
    isooctanol 225.94
    dipropyl ether 1231.87
    1,2-dichlorobenzene 490.66
    ethyl lactate 145.52
    propylene carbonate 344.03
    n-methylformamide 105.8
    2-pentanol 300.23
    n-pentane 514.64
    1-propoxy-2-propanol 586.58
    1-methoxy-2-propyl acetate 681.68
    2-(2-methoxypropoxy) propanol 449.79
    mesitylene 403.9
    ε-caprolactone 602.97
    p-cymene 424.72
    epichlorohydrin 639.74
    1,1,1-trichloroethane 982.57
    2-aminoethanol 67.16
    morpholine-4-carbaldehyde 571.67
    sulfolane 600.61
    2,2,4-trimethylpentane 403.01
    2-methyltetrahydrofuran 1148.61
    n-hexyl acetate 557.61
    isooctane 274.1
    2-(2-butoxyethoxy)ethanol 466.33
    sec-butyl acetate 470.17
    tert-butyl acetate 707.87
    decalin 576.2
    glycerin 79.06
    diglyme 892.23
    acrylic acid 135.78
    isopropyl myristate 360.5
    n-butyric acid 297.19
    acetyl acetate 382.81
    di(2-ethylhexyl) phthalate 245.0
    ethyl propionate 434.75
    nitromethane 232.49
    1,2-diethoxyethane 849.36
    benzonitrile 254.19
    trioctyl phosphate 166.38
    1-bromopropane 753.2
    gamma-valerolactone 589.85
    n-decanol 201.04
    triethyl phosphate 401.41
    4-methyl-2-pentanol 230.29
    propionitrile 245.41
    vinylene carbonate 242.7
    1,1,2-trichlorotrifluoroethane 487.93
    DMS 363.01
    cumene 374.3
    2-octanol 177.38
    2-hexanone 479.69
    octyl acetate 371.2
    limonene 769.2
    1,2-dimethoxyethane 645.29
    ethyl orthosilicate 485.18
    tributyl phosphate 222.97
    diacetone alcohol 426.78
    N,N-dimethylaniline 474.78
    acrylonitrile 201.5
    aniline 355.59
    1,3-propanediol 113.57
    bromobenzene 624.47
    dibromomethane 679.25
    1,1,2,2-tetrachloroethane 1088.82
    2-methyl-cyclohexyl acetate 669.13
    tetrabutyl urea 291.58
    diisobutyl methanol 404.17
    2-phenylethanol 368.79
    styrene 524.51
    dioctyl adipate 404.74
    dimethyl sulfate 203.57
    ethyl butyrate 694.69
    methyl lactate 132.72
    butyl lactate 217.35
    diethyl carbonate 466.58
    propanediol butyl ether 188.77
    triethyl orthoformate 708.77
    p-tert-butyltoluene 450.64
    methyl 4-tert-butylbenzoate 456.32
    morpholine 810.6
    tert-butylamine 421.3
    n-dodecanol 174.55
    dimethoxymethane 324.12
    ethylene carbonate 239.26
    cyrene 291.01
    2-ethoxyethyl acetate 429.75
    2-ethylhexyl acetate 872.58
    1,2,4-trichlorobenzene 624.75
    4-methylpyridine 614.28
    dibutyl ether 783.74
    2,6-dimethyl-4-heptanol 404.17
    DEF 568.98
    dimethyl isosorbide 744.71
    tetrachloroethylene 719.86
    eugenol 310.75
    triacetin 460.91
    span 80 421.88
    1,4-butanediol 47.52
    1,1-dichloroethane 622.85
    2-methyl-1-pentanol 317.75
    methyl formate 78.51
    2-methyl-1-butanol 334.17
    n-decane 217.71
    butyronitrile 272.44
    3,7-dimethyl-1-octanol 365.79
    1-chlorooctane 419.59
    1-chlorotetradecane 205.71
    n-nonane 246.46
    undecane 148.45
    tert-butylcyclohexane 564.86
    cyclooctane 558.44
    cyclopentanol 281.65
    tetrahydropyran 1138.81
    tert-amyl methyl ether 1142.26
    2,5,8-trioxanonane 613.24
    1-hexene 1043.09
    2-isopropoxyethanol 235.99
    2,2,2-trifluoroethanol 61.8
    methyl butyrate 449.84

    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