2,6-Dimethylhepta-2,4-diene

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  • Identifiers

    CAS number
    4634-87-1

    Molecular formula
    C9H16

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 71.25%
    Citrus 63.15%
    Fresh 56.41%
    Green 55.57%
    Woody 53.62%
    Sweet 52.25%
    Terpenic 50.77%
    Floral 49.77%
    Lemon 49.2%
    Tropical 42.63%

     

    Flavor
    Citrus 55.24%
    Sweet 41.65%
    Woody 39.87%
    Herbal 37.38%
    Green 35.42%
    Terpene 33.82%
    Herb 33.6%
    Wood 32.01%
    Spicy 30.89%
    Lemon 28.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.3 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    149°C

    Flash point

    • 29.81 ˚C est.

  • Synonyms

    • 2,6-dimethylhepta-2,4-diene
    • 4634-87-1
    • SCHEMBL4981346
    • SCHEMBL7296679
    • SCHEMBL8200653
    • DTXSID30963553
    • 4634-87-1

  • Applications

    Chemical name: 2,6-Dimethylhepta-2,4-diene; CAS number: 4634-87-1. This conjugated diene acts as an intermediate in organic synthesis and can serve as a monomer or comonomer for specialty polymers; it may be evaluated as a fragrance precursor or odorant component in perfumery; in coatings and inks, it can serve as a resin-building precursor for polymer systems; it may also function as a building block in broader industrial chemical production, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 166.09
    methanol 77.11
    isopropanol 166.91
    water 0.06
    ethyl acetate 223.95
    n-propanol 157.47
    acetone 197.94
    n-butanol 237.72
    acetonitrile 106.49
    DMF 120.75
    toluene 264.5
    isobutanol 134.14
    1,4-dioxane 482.81
    methyl acetate 144.24
    THF 930.04
    2-butanone 209.84
    n-pentanol 167.87
    sec-butanol 201.74
    n-hexane 506.4
    ethylene glycol 14.64
    NMP 210.27
    cyclohexane 590.44
    DMSO 137.29
    n-butyl acetate 580.88
    n-octanol 264.82
    chloroform 494.23
    n-propyl acetate 173.02
    acetic acid 90.03
    dichloromethane 318.59
    cyclohexanone 399.48
    propylene glycol 42.15
    isopropyl acetate 184.64
    DMAc 162.03
    2-ethoxyethanol 114.13
    isopentanol 217.15
    n-heptane 950.61
    ethyl formate 85.53
    1,2-dichloroethane 211.02
    n-hexanol 600.14
    2-methoxyethanol 147.61
    isobutyl acetate 152.89
    tetrachloromethane 142.35
    n-pentyl acetate 216.9
    transcutol 544.73
    n-heptanol 245.88
    ethylbenzene 176.9
    MIBK 193.69
    2-propoxyethanol 396.99
    tert-butanol 271.66
    MTBE 386.46
    2-butoxyethanol 205.91
    propionic acid 81.97
    o-xylene 169.37
    formic acid 10.19
    diethyl ether 415.79
    m-xylene 201.33
    p-xylene 202.73
    chlorobenzene 201.77
    dimethyl carbonate 44.23
    n-octane 213.53
    formamide 15.46
    cyclopentanone 363.83
    2-pentanone 247.46
    anisole 207.13
    cyclopentyl methyl ether 495.15
    gamma-butyrolactone 251.06
    1-methoxy-2-propanol 168.1
    pyridine 308.54
    3-pentanone 179.56
    furfural 186.01
    n-dodecane 112.25
    diethylene glycol 118.14
    diisopropyl ether 219.02
    tert-amyl alcohol 270.82
    acetylacetone 175.59
    n-hexadecane 124.99
    acetophenone 148.19
    methyl propionate 136.41
    isopentyl acetate 476.41
    trichloroethylene 317.79
    n-nonanol 250.98
    cyclohexanol 306.12
    benzyl alcohol 106.29
    2-ethylhexanol 585.89
    isooctanol 202.52
    dipropyl ether 877.5
    1,2-dichlorobenzene 168.23
    ethyl lactate 68.81
    propylene carbonate 189.56
    n-methylformamide 40.46
    2-pentanol 214.96
    n-pentane 348.67
    1-propoxy-2-propanol 456.11
    1-methoxy-2-propyl acetate 332.21
    2-(2-methoxypropoxy) propanol 242.7
    mesitylene 150.46
    ε-caprolactone 308.96
    p-cymene 250.26
    epichlorohydrin 307.54
    1,1,1-trichloroethane 322.26
    2-aminoethanol 42.65
    morpholine-4-carbaldehyde 228.7
    sulfolane 276.14
    2,2,4-trimethylpentane 130.99
    2-methyltetrahydrofuran 736.76
    n-hexyl acetate 357.52
    isooctane 120.27
    2-(2-butoxyethoxy)ethanol 305.62
    sec-butyl acetate 162.54
    tert-butyl acetate 242.88
    decalin 196.71
    glycerin 41.96
    diglyme 454.45
    acrylic acid 52.22
    isopropyl myristate 214.45
    n-butyric acid 180.71
    acetyl acetate 132.84
    di(2-ethylhexyl) phthalate 143.95
    ethyl propionate 153.78
    nitromethane 89.8
    1,2-diethoxyethane 426.03
    benzonitrile 159.45
    trioctyl phosphate 125.68
    1-bromopropane 377.24
    gamma-valerolactone 313.32
    n-decanol 198.78
    triethyl phosphate 164.09
    4-methyl-2-pentanol 152.46
    propionitrile 131.31
    vinylene carbonate 121.58
    1,1,2-trichlorotrifluoroethane 160.68
    DMS 138.73
    cumene 133.88
    2-octanol 183.1
    2-hexanone 232.53
    octyl acetate 241.94
    limonene 475.62
    1,2-dimethoxyethane 312.99
    ethyl orthosilicate 185.3
    tributyl phosphate 146.19
    diacetone alcohol 216.14
    N,N-dimethylaniline 163.64
    acrylonitrile 89.15
    aniline 167.58
    1,3-propanediol 75.23
    bromobenzene 251.18
    dibromomethane 337.94
    1,1,2,2-tetrachloroethane 325.63
    2-methyl-cyclohexyl acetate 326.96
    tetrabutyl urea 179.56
    diisobutyl methanol 316.68
    2-phenylethanol 230.52
    styrene 189.36
    dioctyl adipate 231.56
    dimethyl sulfate 52.93
    ethyl butyrate 370.07
    methyl lactate 54.98
    butyl lactate 136.58
    diethyl carbonate 215.53
    propanediol butyl ether 148.24
    triethyl orthoformate 308.93
    p-tert-butyltoluene 259.66
    methyl 4-tert-butylbenzoate 203.96
    morpholine 507.48
    tert-butylamine 282.48
    n-dodecanol 167.78
    dimethoxymethane 153.48
    ethylene carbonate 122.78
    cyrene 149.8
    2-ethoxyethyl acetate 200.66
    2-ethylhexyl acetate 451.92
    1,2,4-trichlorobenzene 197.16
    4-methylpyridine 302.56
    dibutyl ether 553.92
    2,6-dimethyl-4-heptanol 316.68
    DEF 205.69
    dimethyl isosorbide 404.55
    tetrachloroethylene 199.72
    eugenol 157.4
    triacetin 211.03
    span 80 300.23
    1,4-butanediol 33.41
    1,1-dichloroethane 261.32
    2-methyl-1-pentanol 179.08
    methyl formate 31.61
    2-methyl-1-butanol 194.49
    n-decane 206.33
    butyronitrile 226.23
    3,7-dimethyl-1-octanol 290.6
    1-chlorooctane 327.49
    1-chlorotetradecane 144.82
    n-nonane 243.97
    undecane 143.24
    tert-butylcyclohexane 195.09
    cyclooctane 293.25
    cyclopentanol 240.03
    tetrahydropyran 795.68
    tert-amyl methyl ether 338.88
    2,5,8-trioxanonane 345.06
    1-hexene 546.06
    2-isopropoxyethanol 121.52
    2,2,2-trifluoroethanol 20.1
    methyl butyrate 195.29

    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