2-Methyl-1,5-hexadiene

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  • Identifiers

    CAS number
    27477-37-8

    Molecular formula
    C7H12

    SMILES
    CC(=C)CCC=C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Herbal 58.04%
    Citrus 49.4%
    Fruity 44.39%
    Gassy 43.65%
    Fresh 36.22%
    Floral 34.9%
    Terpenic 34.42%
    Lemon 32.66%
    Green 32.39%
    Spicy 30.39%

     

    Flavor
    Citrus 42.89%
    Herbal 32.71%
    Spicy 29.72%
    Woody 27.37%
    Terpene 24.85%
    Spice 24.59%
    Fresh 23.49%
    Oriental 22.49%
    Diterpene 22.32%
    Sweet 22.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.16 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    91°C

    Flash point

    • -11.78 ˚C est.

  • Synonyms

    • 2-METHYL-1,5-HEXADIENE
    • 2-Methylhexa-1,5-diene
    • 2-Methyldiallyl
    • 1,5-Hexadiene, 2-methyl-
    • 5-Methyldiallyl
    • P8XEZ338QB
    • 27477-37-8
    • EINECS 223-751-8
    • NSC-66540
    • DTXSID00193502
    • CH2=C(CH3)CH2CH2CH=CH2
    • NSC 66540
    • RefChem:87982
    • DTXCID70115993
    • 622-977-8
    • SLQMKNPIYMOEGB-UHFFFAOYSA-N
    • 4049-81-4
    • MFCD00008603
    • sym-Vinylisopropenylethane
    • NSC66540
    • UNII-P8XEZ338QB
    • SCHEMBL42883
    • SCHEMBL515608
    • SCHEMBL875825
    • SCHEMBL2485798
    • 2-Methyl-1,5-hexadiene, 97%
    • AKOS015912573
    • SY052540
    • M0339
    • NS00030802
    • D91319
    • 27477-37-8

  • Applications

    2-Methyl-1,5-hexadiene (CAS 27477-37-8) is primarily used as a reactive diene monomer in polymerization to produce specialty polymers and elastomers with crosslinkable networks; it also serves as an intermediate in organic synthesis for various industrial chemicals. In coatings and inks, it can act as a reactive diluent or crosslinking component to improve cure and network formation. In adhesive formulations, it provides additional functionality and enhances bonding by participating in polymerization. In broader industrial manufacturing, it is employed as a building block for the synthesis of downstream specialty chemicals and processes that require unsaturated hydrocarbon functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.4
    methanol 94.72
    isopropanol 182.07
    water 0.17
    ethyl acetate 174.86
    n-propanol 176.89
    acetone 183.56
    n-butanol 232.41
    acetonitrile 93.77
    DMF 152.44
    toluene 130.78
    isobutanol 163.32
    1,4-dioxane 249.05
    methyl acetate 143.21
    THF 467.58
    2-butanone 214.39
    n-pentanol 163.63
    sec-butanol 237.54
    n-hexane 239.9
    ethylene glycol 30.95
    NMP 180.52
    cyclohexane 172.79
    DMSO 143.77
    n-butyl acetate 334.23
    n-octanol 194.92
    chloroform 342.37
    n-propyl acetate 119.78
    acetic acid 79.09
    dichloromethane 204.0
    cyclohexanone 257.23
    propylene glycol 85.66
    isopropyl acetate 139.0
    DMAc 185.41
    2-ethoxyethanol 131.44
    isopentanol 222.13
    n-heptane 359.67
    ethyl formate 65.59
    1,2-dichloroethane 138.6
    n-hexanol 503.99
    2-methoxyethanol 168.42
    isobutyl acetate 110.75
    tetrachloromethane 102.73
    n-pentyl acetate 130.2
    transcutol 469.96
    n-heptanol 194.42
    ethylbenzene 94.7
    MIBK 160.35
    2-propoxyethanol 382.79
    tert-butanol 308.95
    MTBE 336.91
    2-butoxyethanol 191.69
    propionic acid 110.26
    o-xylene 107.9
    formic acid 14.13
    diethyl ether 263.65
    m-xylene 116.8
    p-xylene 110.39
    chlorobenzene 112.78
    dimethyl carbonate 47.77
    n-octane 93.86
    formamide 15.31
    cyclopentanone 280.51
    2-pentanone 209.55
    anisole 136.74
    cyclopentyl methyl ether 284.39
    gamma-butyrolactone 198.35
    1-methoxy-2-propanol 222.07
    pyridine 164.98
    3-pentanone 166.02
    furfural 156.35
    n-dodecane 55.6
    diethylene glycol 168.17
    diisopropyl ether 144.27
    tert-amyl alcohol 315.51
    acetylacetone 155.1
    n-hexadecane 59.95
    acetophenone 109.02
    methyl propionate 129.02
    isopentyl acetate 287.23
    trichloroethylene 233.12
    n-nonanol 174.56
    cyclohexanol 214.55
    benzyl alcohol 89.87
    2-ethylhexanol 389.07
    isooctanol 162.11
    dipropyl ether 456.43
    1,2-dichlorobenzene 108.27
    ethyl lactate 75.74
    propylene carbonate 136.24
    n-methylformamide 53.19
    2-pentanol 222.27
    n-pentane 177.16
    1-propoxy-2-propanol 441.19
    1-methoxy-2-propyl acetate 249.48
    2-(2-methoxypropoxy) propanol 234.4
    mesitylene 91.03
    ε-caprolactone 195.78
    p-cymene 135.74
    epichlorohydrin 200.64
    1,1,1-trichloroethane 233.16
    2-aminoethanol 71.45
    morpholine-4-carbaldehyde 186.69
    sulfolane 224.35
    2,2,4-trimethylpentane 92.44
    2-methyltetrahydrofuran 411.59
    n-hexyl acetate 222.74
    isooctane 82.29
    2-(2-butoxyethoxy)ethanol 271.25
    sec-butyl acetate 110.09
    tert-butyl acetate 188.29
    decalin 95.92
    glycerin 84.24
    diglyme 364.38
    acrylic acid 77.06
    isopropyl myristate 133.53
    n-butyric acid 176.9
    acetyl acetate 99.05
    di(2-ethylhexyl) phthalate 99.29
    ethyl propionate 116.48
    nitromethane 87.23
    1,2-diethoxyethane 253.53
    benzonitrile 102.51
    trioctyl phosphate 85.96
    1-bromopropane 222.81
    gamma-valerolactone 232.48
    n-decanol 147.69
    triethyl phosphate 109.43
    4-methyl-2-pentanol 159.55
    propionitrile 140.76
    vinylene carbonate 97.39
    1,1,2-trichlorotrifluoroethane 160.07
    DMS 104.66
    cumene 86.71
    2-octanol 137.68
    2-hexanone 178.27
    octyl acetate 152.14
    limonene 243.92
    1,2-dimethoxyethane 237.5
    ethyl orthosilicate 118.21
    tributyl phosphate 99.25
    diacetone alcohol 212.66
    N,N-dimethylaniline 116.37
    acrylonitrile 105.3
    aniline 116.18
    1,3-propanediol 97.59
    bromobenzene 126.59
    dibromomethane 208.07
    1,1,2,2-tetrachloroethane 240.93
    2-methyl-cyclohexyl acetate 192.74
    tetrabutyl urea 126.46
    diisobutyl methanol 224.77
    2-phenylethanol 169.95
    styrene 101.87
    dioctyl adipate 142.13
    dimethyl sulfate 67.65
    ethyl butyrate 226.47
    methyl lactate 79.96
    butyl lactate 121.02
    diethyl carbonate 130.13
    propanediol butyl ether 172.55
    triethyl orthoformate 183.95
    p-tert-butyltoluene 144.45
    methyl 4-tert-butylbenzoate 158.93
    morpholine 272.53
    tert-butylamine 269.18
    n-dodecanol 125.05
    dimethoxymethane 138.19
    ethylene carbonate 90.64
    cyrene 126.46
    2-ethoxyethyl acetate 130.3
    2-ethylhexyl acetate 254.82
    1,2,4-trichlorobenzene 126.95
    4-methylpyridine 175.97
    dibutyl ether 269.08
    2,6-dimethyl-4-heptanol 224.77
    DEF 178.37
    dimethyl isosorbide 296.48
    tetrachloroethylene 150.44
    eugenol 142.75
    triacetin 162.04
    span 80 237.39
    1,4-butanediol 47.94
    1,1-dichloroethane 206.47
    2-methyl-1-pentanol 180.52
    methyl formate 37.52
    2-methyl-1-butanol 216.41
    n-decane 94.39
    butyronitrile 165.34
    3,7-dimethyl-1-octanol 232.54
    1-chlorooctane 180.12
    1-chlorotetradecane 85.63
    n-nonane 108.89
    undecane 70.09
    tert-butylcyclohexane 110.37
    cyclooctane 97.68
    cyclopentanol 197.63
    tetrahydropyran 358.45
    tert-amyl methyl ether 290.98
    2,5,8-trioxanonane 287.31
    1-hexene 330.79
    2-isopropoxyethanol 132.73
    2,2,2-trifluoroethanol 24.5
    methyl butyrate 140.39

    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