2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-

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  • Identifiers

    CAS number
    2417-88-1

    Molecular formula
    C8H14

    SMILES
    C/C=C(\C)/C(=C\C)/C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 67.38%
    Citrus 55.58%
    Terpenic 51.22%
    Woody 47.68%
    Fresh 47.68%
    Sweet 46.45%
    Lemon 45.39%
    Floral 43.64%
    Spicy 36.42%
    Tropical 35.07%

     

    Flavor
    Citrus 43.5%
    Woody 33.48%
    Sweet 32.39%
    Herbal 28.77%
    Terpene 26.37%
    Green 26.29%
    Balsam 25.18%
    Herb 24.72%
    Spicy 24.22%
    Gasoline 23.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    11.02 (strong base)

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point

    • 15.16 ˚C est.

  • Synonyms

    • 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
    • (e,z)-3,4-dimethyl-2,4-hexadiene
    • (E),(Z)-(CH3CH=C(CH3))2
    • 2417-88-1
    • 21293-01-6
    • SCHEMBL25388030
    • PBGBMQLUDCDJQJ-CGXWXWIYSA-N
    • (2Z,4E)-3,4-dimethyl-hexa-2,4-diene
    • (2Z,4E)-3,4-Dimethyl-2,4-hexadiene #
    • 2417-88-1

  • Applications

    2,4-Hexadiene, 3,4-dimethyl-, (E,Z) is primarily used as a synthetic intermediate in organic chemistry. In practice, it may serve as a building block for fragrance and flavor precursor synthesis, and as a reactive diene in Diels–Alder cycloadditions to access cyclic and bicyclic scaffolds for specialty polymers. It can function as a monomer or crosslinking component in coatings, inks, and adhesive formulations, enabling specific crosslink densities or network structures. It is also evaluated for use in pharmaceutical and agrochemical intermediate syntheses, where its stereochemical (E,Z) mixture can be leveraged to access defined target molecules. In research and development, it may be explored as a precursor for the synthesis of advanced materials and as a diene component in exploratory polymerization routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.93
    methanol 108.48
    isopropanol 161.71
    water 0.16
    ethyl acetate 360.97
    n-propanol 198.05
    acetone 277.52
    n-butanol 245.08
    acetonitrile 222.77
    DMF 329.02
    toluene 400.96
    isobutanol 174.67
    1,4-dioxane 704.87
    methyl acetate 306.56
    THF 1086.03
    2-butanone 386.03
    n-pentanol 189.87
    sec-butanol 232.67
    n-hexane 524.61
    ethylene glycol 14.6
    NMP 587.33
    cyclohexane 430.78
    DMSO 209.54
    n-butyl acetate 561.53
    n-octanol 225.17
    chloroform 904.45
    n-propyl acetate 307.66
    acetic acid 88.95
    dichloromethane 745.99
    cyclohexanone 643.1
    propylene glycol 30.88
    isopropyl acetate 287.53
    DMAc 382.27
    2-ethoxyethanol 171.58
    isopentanol 230.77
    n-heptane 465.02
    ethyl formate 159.2
    1,2-dichloroethane 532.46
    n-hexanol 378.86
    2-methoxyethanol 192.19
    isobutyl acetate 224.54
    tetrachloromethane 372.99
    n-pentyl acetate 341.92
    transcutol 511.71
    n-heptanol 243.46
    ethylbenzene 334.67
    MIBK 285.77
    2-propoxyethanol 340.6
    tert-butanol 274.59
    MTBE 546.93
    2-butoxyethanol 244.86
    propionic acid 125.42
    o-xylene 329.16
    formic acid 15.62
    diethyl ether 631.68
    m-xylene 310.52
    p-xylene 384.28
    chlorobenzene 393.66
    dimethyl carbonate 102.78
    n-octane 191.69
    formamide 31.56
    cyclopentanone 711.73
    2-pentanone 382.29
    anisole 417.86
    cyclopentyl methyl ether 715.35
    gamma-butyrolactone 562.24
    1-methoxy-2-propanol 202.65
    pyridine 502.12
    3-pentanone 379.21
    furfural 388.21
    n-dodecane 102.45
    diethylene glycol 97.51
    diisopropyl ether 315.44
    tert-amyl alcohol 334.22
    acetylacetone 303.67
    n-hexadecane 116.85
    acetophenone 317.52
    methyl propionate 262.35
    isopentyl acetate 507.04
    trichloroethylene 754.56
    n-nonanol 225.82
    cyclohexanol 292.73
    benzyl alcohol 179.88
    2-ethylhexanol 398.43
    isooctanol 221.58
    dipropyl ether 765.93
    1,2-dichlorobenzene 431.57
    ethyl lactate 101.6
    propylene carbonate 327.27
    n-methylformamide 110.3
    2-pentanol 236.43
    n-pentane 315.18
    1-propoxy-2-propanol 360.54
    1-methoxy-2-propyl acetate 349.31
    2-(2-methoxypropoxy) propanol 256.83
    mesitylene 259.01
    ε-caprolactone 528.65
    p-cymene 326.02
    epichlorohydrin 636.37
    1,1,1-trichloroethane 780.51
    2-aminoethanol 45.89
    morpholine-4-carbaldehyde 489.98
    sulfolane 655.9
    2,2,4-trimethylpentane 158.42
    2-methyltetrahydrofuran 981.81
    n-hexyl acetate 445.1
    isooctane 129.5
    2-(2-butoxyethoxy)ethanol 289.27
    sec-butyl acetate 263.67
    tert-butyl acetate 367.91
    decalin 284.57
    glycerin 36.98
    diglyme 555.46
    acrylic acid 87.95
    isopropyl myristate 273.47
    n-butyric acid 223.98
    acetyl acetate 204.69
    di(2-ethylhexyl) phthalate 164.21
    ethyl propionate 332.24
    nitromethane 178.34
    1,2-diethoxyethane 561.18
    benzonitrile 276.17
    trioctyl phosphate 136.0
    1-bromopropane 657.88
    gamma-valerolactone 599.44
    n-decanol 177.4
    triethyl phosphate 255.94
    4-methyl-2-pentanol 173.28
    propionitrile 276.4
    vinylene carbonate 255.88
    1,1,2-trichlorotrifluoroethane 276.59
    DMS 241.3
    cumene 271.11
    2-octanol 206.02
    2-hexanone 387.09
    octyl acetate 284.04
    limonene 520.57
    1,2-dimethoxyethane 528.56
    ethyl orthosilicate 270.23
    tributyl phosphate 164.02
    diacetone alcohol 259.31
    N,N-dimethylaniline 345.59
    acrylonitrile 230.69
    aniline 243.85
    1,3-propanediol 79.2
    bromobenzene 485.82
    dibromomethane 668.39
    1,1,2,2-tetrachloroethane 708.92
    2-methyl-cyclohexyl acetate 422.96
    tetrabutyl urea 229.94
    diisobutyl methanol 276.95
    2-phenylethanol 283.93
    styrene 357.12
    dioctyl adipate 276.74
    dimethyl sulfate 150.18
    ethyl butyrate 499.63
    methyl lactate 88.32
    butyl lactate 166.9
    diethyl carbonate 305.71
    propanediol butyl ether 131.49
    triethyl orthoformate 392.63
    p-tert-butyltoluene 333.12
    methyl 4-tert-butylbenzoate 336.24
    morpholine 636.53
    tert-butylamine 278.31
    n-dodecanol 150.96
    dimethoxymethane 288.19
    ethylene carbonate 227.5
    cyrene 215.75
    2-ethoxyethyl acetate 317.68
    2-ethylhexyl acetate 517.81
    1,2,4-trichlorobenzene 460.03
    4-methylpyridine 553.29
    dibutyl ether 547.79
    2,6-dimethyl-4-heptanol 276.95
    DEF 436.31
    dimethyl isosorbide 562.64
    tetrachloroethylene 503.4
    eugenol 246.59
    triacetin 280.83
    span 80 238.47
    1,4-butanediol 39.17
    1,1-dichloroethane 572.47
    2-methyl-1-pentanol 216.97
    methyl formate 85.22
    2-methyl-1-butanol 247.68
    n-decane 181.68
    butyronitrile 331.1
    3,7-dimethyl-1-octanol 272.83
    1-chlorooctane 362.85
    1-chlorotetradecane 174.24
    n-nonane 202.81
    undecane 129.2
    tert-butylcyclohexane 278.61
    cyclooctane 262.86
    cyclopentanol 282.96
    tetrahydropyran 868.56
    tert-amyl methyl ether 499.86
    2,5,8-trioxanonane 426.42
    1-hexene 678.48
    2-isopropoxyethanol 172.25
    2,2,2-trifluoroethanol 40.24
    methyl butyrate 380.29

    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