2,4-Dimethyl-2,4-heptadiene

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  • Identifiers

    CAS number
    74421-05-9

    Molecular formula
    C9H16

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

    Safety labels

  • Odor profile

    Fragrance
    Citrus 63.39%
    Herbal 60.43%
    Floral 54.19%
    Lemon 53.05%
    Fresh 51.61%
    Green 48.63%
    Sweet 48.54%
    Terpenic 46.61%
    Woody 45.25%
    Tropical 37.11%

     

    Flavor
    Citrus 58.03%
    Green 51.39%
    Sweet 50.29%
    Woody 39.48%
    Lemon 33.31%
    Herbal 32.45%
    Spicy 31.89%
    Wood 31.87%
    Herb 30.52%
    Fresh 29.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.91 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 29.48 ˚C est.

  • Synonyms

    • 2,4-DIMETHYL-2,4-HEPTADIENE
    • 74421-05-9
    • DTXSID00341420
    • RefChem:246557
    • DTXCID20292501
    • 2,4-dimethylhepta-2,4-diene
    • SCHEMBL14759840
    • SCHEMBL18185245
    • 74421-05-9

  • Applications

    2,4-Dimethyl-2,4-heptadiene (CAS 74421-05-9) is viewed as an intermediate in organic synthesis and a building block for specialty chemicals in the chemical industry. In practice, it may be used as a precursor or reactive monomer in the production of polymers and specialty plastics. In coatings and inks, it can serve as a monomer or reactive diluent to tune film properties. It may also be employed as a hydrocarbon solvent or processing aid during formulation and manufacturing. Specific applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.43
    methanol 459.85
    isopropanol 628.65
    water 0.13
    ethyl acetate 790.12
    n-propanol 638.58
    acetone 737.43
    n-butanol 925.34
    acetonitrile 472.92
    DMF 479.79
    toluene 939.92
    isobutanol 576.51
    1,4-dioxane 1627.33
    methyl acetate 534.34
    THF 2968.71
    2-butanone 744.07
    n-pentanol 639.45
    sec-butanol 746.46
    n-hexane 2400.51
    ethylene glycol 56.88
    NMP 771.97
    cyclohexane 2676.15
    DMSO 438.26
    n-butyl acetate 1827.74
    n-octanol 975.9
    chloroform 1475.64
    n-propyl acetate 521.55
    acetic acid 319.53
    dichloromethane 1102.65
    cyclohexanone 1494.9
    propylene glycol 120.38
    isopropyl acetate 589.32
    DMAc 485.77
    2-ethoxyethanol 341.12
    isopentanol 870.23
    n-heptane 3997.09
    ethyl formate 326.11
    1,2-dichloroethane 739.58
    n-hexanol 2342.3
    2-methoxyethanol 511.76
    isobutyl acetate 430.11
    tetrachloromethane 565.03
    n-pentyl acetate 694.19
    transcutol 1130.97
    n-heptanol 866.85
    ethylbenzene 522.87
    MIBK 662.31
    2-propoxyethanol 1303.88
    tert-butanol 1036.14
    MTBE 1508.5
    2-butoxyethanol 593.7
    propionic acid 291.25
    o-xylene 522.4
    formic acid 43.69
    diethyl ether 1842.63
    m-xylene 675.69
    p-xylene 605.48
    chlorobenzene 606.78
    dimethyl carbonate 145.6
    n-octane 807.11
    formamide 55.21
    cyclopentanone 1197.47
    2-pentanone 938.36
    anisole 492.82
    cyclopentyl methyl ether 2015.18
    gamma-butyrolactone 852.98
    1-methoxy-2-propanol 494.39
    pyridine 823.41
    3-pentanone 687.77
    furfural 522.03
    n-dodecane 392.6
    diethylene glycol 365.32
    diisopropyl ether 841.21
    tert-amyl alcohol 991.05
    acetylacetone 563.35
    n-hexadecane 448.93
    acetophenone 338.08
    methyl propionate 485.83
    isopentyl acetate 1432.43
    trichloroethylene 993.73
    n-nonanol 801.48
    cyclohexanol 1216.45
    benzyl alcohol 271.41
    2-ethylhexanol 2116.96
    isooctanol 676.17
    dipropyl ether 2990.46
    1,2-dichlorobenzene 458.16
    ethyl lactate 175.34
    propylene carbonate 599.53
    n-methylformamide 187.26
    2-pentanol 842.36
    n-pentane 1696.66
    1-propoxy-2-propanol 1305.63
    1-methoxy-2-propyl acetate 825.66
    2-(2-methoxypropoxy) propanol 549.88
    mesitylene 499.25
    ε-caprolactone 1016.59
    p-cymene 752.88
    epichlorohydrin 936.85
    1,1,1-trichloroethane 1104.73
    2-aminoethanol 147.16
    morpholine-4-carbaldehyde 692.5
    sulfolane 912.83
    2,2,4-trimethylpentane 571.42
    2-methyltetrahydrofuran 2733.79
    n-hexyl acetate 1127.89
    isooctane 504.77
    2-(2-butoxyethoxy)ethanol 689.54
    sec-butyl acetate 404.41
    tert-butyl acetate 735.33
    decalin 771.78
    glycerin 121.99
    diglyme 1032.23
    acrylic acid 170.2
    isopropyl myristate 592.04
    n-butyric acid 653.05
    acetyl acetate 381.72
    di(2-ethylhexyl) phthalate 361.15
    ethyl propionate 459.25
    nitromethane 326.61
    1,2-diethoxyethane 1179.22
    benzonitrile 420.91
    trioctyl phosphate 356.89
    1-bromopropane 1415.2
    gamma-valerolactone 996.94
    n-decanol 609.48
    triethyl phosphate 352.08
    4-methyl-2-pentanol 541.1
    propionitrile 526.22
    vinylene carbonate 393.54
    1,1,2-trichlorotrifluoroethane 443.05
    DMS 376.1
    cumene 392.69
    2-octanol 671.98
    2-hexanone 769.58
    octyl acetate 682.51
    limonene 1661.52
    1,2-dimethoxyethane 958.88
    ethyl orthosilicate 424.66
    tributyl phosphate 392.0
    diacetone alcohol 563.99
    N,N-dimethylaniline 416.04
    acrylonitrile 330.31
    aniline 467.45
    1,3-propanediol 257.2
    bromobenzene 749.55
    dibromomethane 1171.24
    1,1,2,2-tetrachloroethane 921.48
    2-methyl-cyclohexyl acetate 840.87
    tetrabutyl urea 506.58
    diisobutyl methanol 978.88
    2-phenylethanol 605.79
    styrene 515.39
    dioctyl adipate 554.6
    dimethyl sulfate 175.29
    ethyl butyrate 1015.74
    methyl lactate 152.8
    butyl lactate 355.68
    diethyl carbonate 490.88
    propanediol butyl ether 406.45
    triethyl orthoformate 735.73
    p-tert-butyltoluene 734.25
    methyl 4-tert-butylbenzoate 485.1
    morpholine 1593.48
    tert-butylamine 1104.05
    n-dodecanol 501.84
    dimethoxymethane 596.05
    ethylene carbonate 406.01
    cyrene 335.29
    2-ethoxyethyl acetate 550.45
    2-ethylhexyl acetate 1390.97
    1,2,4-trichlorobenzene 498.12
    4-methylpyridine 918.24
    dibutyl ether 1718.27
    2,6-dimethyl-4-heptanol 978.88
    DEF 751.21
    dimethyl isosorbide 902.07
    tetrachloroethylene 644.81
    eugenol 359.81
    triacetin 473.77
    span 80 656.09
    1,4-butanediol 107.77
    1,1-dichloroethane 919.42
    2-methyl-1-pentanol 663.39
    methyl formate 153.33
    2-methyl-1-butanol 811.94
    n-decane 718.75
    butyronitrile 904.41
    3,7-dimethyl-1-octanol 943.69
    1-chlorooctane 1117.97
    1-chlorotetradecane 466.48
    n-nonane 915.47
    undecane 510.18
    tert-butylcyclohexane 759.31
    cyclooctane 1322.81
    cyclopentanol 912.74
    tetrahydropyran 2935.42
    tert-amyl methyl ether 1257.14
    2,5,8-trioxanonane 727.43
    1-hexene 2372.89
    2-isopropoxyethanol 339.41
    2,2,2-trifluoroethanol 66.27
    methyl butyrate 611.06

    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