1,3-Hexadiene, 3-ethyl-2,5-dimethyl-

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  • Identifiers

    CAS number
    62338-07-2

    Molecular formula
    C10H18

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 76.87%
    Woody 61.4%
    Citrus 58.19%
    Terpenic 49.01%
    Fresh 45.15%
    Spicy 43.19%
    Pine 41.52%
    Floral 40.51%
    Lemon 38.91%
    Lavender 38.81%

     

    Flavor
    Woody 31.45%
    Herbal 30.42%
    Herb 29.02%
    Citrus 28.67%
    Wood 25.3%
    Terpene 25.24%
    Oriental 22.32%
    Diterpene 21.44%
    Low 21.27%
    Styrene 20.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    10.53 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Flash point

    • 38.54 ˚C est.

  • Synonyms

    • 1,3-Hexadiene, 3-ethyl-2,5-dimethyl-
    • 62338-07-2
    • DTXSID00338431
    • RefChem:219225
    • DTXCID60289516
    • 3-ethyl-2,5-dimethylhexa-1,3-diene
    • 3-ethyl-2,5-dimethyl-1,3-hexadiene
    • 2,5-Dimethyl-3-ethyl-1,3-hexadiene
    • DB-302468
    • 62338-07-2

  • Applications

    1,3-Hexadiene, 3-ethyl-2,5-dimethyl- may be used as a dienic monomer in the production of specialty polymers and copolymers, providing unsaturation for downstream functionalization; it is often evaluated as a reactive intermediate in organic synthesis, enabling the formation of more complex molecules or cyclic structures. It can serve as a crosslinkable component in coatings, inks, and adhesive formulations to impart through-cure properties; it can also function as a reactive diluent or co-monomer in resin systems to adjust processing viscosity and final properties; and it is used as a research and development reagent for exploring diene chemistry under appropriate handling and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 502.64
    methanol 281.84
    isopropanol 715.0
    water 0.06
    ethyl acetate 953.71
    n-propanol 624.65
    acetone 1009.39
    n-butanol 905.52
    acetonitrile 504.25
    DMF 800.49
    toluene 1162.04
    isobutanol 715.75
    1,4-dioxane 1757.97
    methyl acetate 724.28
    THF 3386.59
    2-butanone 1108.05
    n-pentanol 661.08
    sec-butanol 907.93
    n-hexane 2339.89
    ethylene glycol 40.06
    NMP 1081.2
    cyclohexane 1808.27
    DMSO 578.33
    n-butyl acetate 2046.77
    n-octanol 1065.38
    chloroform 1836.13
    n-propyl acetate 696.77
    acetic acid 191.57
    dichloromethane 1285.82
    cyclohexanone 1929.99
    propylene glycol 109.46
    isopropyl acetate 819.88
    DMAc 783.12
    2-ethoxyethanol 398.16
    isopentanol 1082.48
    n-heptane 2053.46
    ethyl formate 353.86
    1,2-dichloroethane 1062.34
    n-hexanol 2145.4
    2-methoxyethanol 506.08
    isobutyl acetate 624.31
    tetrachloromethane 645.37
    n-pentyl acetate 939.77
    transcutol 1507.09
    n-heptanol 887.47
    ethylbenzene 758.21
    MIBK 1010.37
    2-propoxyethanol 1296.78
    tert-butanol 1380.68
    MTBE 2624.94
    2-butoxyethanol 676.91
    propionic acid 258.56
    o-xylene 763.89
    formic acid 22.47
    diethyl ether 2053.82
    m-xylene 970.11
    p-xylene 850.88
    chlorobenzene 844.89
    dimethyl carbonate 216.21
    n-octane 673.26
    formamide 35.41
    cyclopentanone 1742.53
    2-pentanone 1192.11
    anisole 780.56
    cyclopentyl methyl ether 2266.59
    gamma-butyrolactone 1167.75
    1-methoxy-2-propanol 640.67
    pyridine 1013.54
    3-pentanone 945.43
    furfural 723.62
    n-dodecane 359.82
    diethylene glycol 366.99
    diisopropyl ether 1194.09
    tert-amyl alcohol 1369.87
    acetylacetone 842.1
    n-hexadecane 418.21
    acetophenone 537.38
    methyl propionate 644.03
    isopentyl acetate 1862.79
    trichloroethylene 1474.99
    n-nonanol 899.69
    cyclohexanol 1281.68
    benzyl alcohol 378.38
    2-ethylhexanol 1925.7
    isooctanol 809.47
    dipropyl ether 2590.98
    1,2-dichlorobenzene 728.87
    ethyl lactate 230.75
    propylene carbonate 734.37
    n-methylformamide 201.03
    2-pentanol 1016.93
    n-pentane 1334.48
    1-propoxy-2-propanol 1412.42
    1-methoxy-2-propyl acetate 1086.32
    2-(2-methoxypropoxy) propanol 688.12
    mesitylene 756.68
    ε-caprolactone 1354.48
    p-cymene 773.51
    epichlorohydrin 1500.29
    1,1,1-trichloroethane 1684.01
    2-aminoethanol 113.39
    morpholine-4-carbaldehyde 886.66
    sulfolane 1323.24
    2,2,4-trimethylpentane 636.98
    2-methyltetrahydrofuran 3129.26
    n-hexyl acetate 1522.58
    isooctane 634.69
    2-(2-butoxyethoxy)ethanol 880.96
    sec-butyl acetate 605.79
    tert-butyl acetate 1110.19
    decalin 822.4
    glycerin 114.41
    diglyme 1305.81
    acrylic acid 157.25
    isopropyl myristate 722.21
    n-butyric acid 622.75
    acetyl acetate 413.41
    di(2-ethylhexyl) phthalate 432.83
    ethyl propionate 635.66
    nitromethane 317.84
    1,2-diethoxyethane 1459.26
    benzonitrile 596.09
    trioctyl phosphate 417.52
    1-bromopropane 1614.19
    gamma-valerolactone 1378.79
    n-decanol 704.46
    triethyl phosphate 433.39
    4-methyl-2-pentanol 775.23
    propionitrile 666.24
    vinylene carbonate 486.26
    1,1,2-trichlorotrifluoroethane 587.51
    DMS 555.91
    cumene 587.52
    2-octanol 874.47
    2-hexanone 1097.09
    octyl acetate 829.05
    limonene 1510.5
    1,2-dimethoxyethane 1230.79
    ethyl orthosilicate 495.91
    tributyl phosphate 467.24
    diacetone alcohol 848.89
    N,N-dimethylaniline 641.55
    acrylonitrile 449.83
    aniline 587.52
    1,3-propanediol 239.72
    bromobenzene 1100.27
    dibromomethane 1304.52
    1,1,2,2-tetrachloroethane 1529.48
    2-methyl-cyclohexyl acetate 954.94
    tetrabutyl urea 575.87
    diisobutyl methanol 1026.94
    2-phenylethanol 762.92
    styrene 747.43
    dioctyl adipate 671.23
    dimethyl sulfate 299.59
    ethyl butyrate 1070.94
    methyl lactate 217.84
    butyl lactate 513.92
    diethyl carbonate 554.91
    propanediol butyl ether 545.67
    triethyl orthoformate 795.19
    p-tert-butyltoluene 842.38
    methyl 4-tert-butylbenzoate 721.47
    morpholine 1782.67
    tert-butylamine 1374.1
    n-dodecanol 571.43
    dimethoxymethane 764.22
    ethylene carbonate 484.36
    cyrene 446.6
    2-ethoxyethyl acetate 765.43
    2-ethylhexyl acetate 1714.1
    1,2,4-trichlorobenzene 789.93
    4-methylpyridine 1370.85
    dibutyl ether 1944.24
    2,6-dimethyl-4-heptanol 1026.94
    DEF 1045.82
    dimethyl isosorbide 1180.97
    tetrachloroethylene 867.19
    eugenol 527.56
    triacetin 646.27
    span 80 749.51
    1,4-butanediol 112.74
    1,1-dichloroethane 1483.46
    2-methyl-1-pentanol 786.18
    methyl formate 179.44
    2-methyl-1-butanol 995.91
    n-decane 671.35
    butyronitrile 1003.58
    3,7-dimethyl-1-octanol 1183.84
    1-chlorooctane 1319.24
    1-chlorotetradecane 526.23
    n-nonane 813.34
    undecane 468.4
    tert-butylcyclohexane 894.42
    cyclooctane 1013.2
    cyclopentanol 993.62
    tetrahydropyran 3111.21
    tert-amyl methyl ether 1952.58
    2,5,8-trioxanonane 924.72
    1-hexene 2608.96
    2-isopropoxyethanol 448.21
    2,2,2-trifluoroethanol 54.18
    methyl butyrate 797.18

    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