4-Methyl-2-hexene

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  • Identifiers

    CAS number
    3683-22-5

    Molecular formula
    C7H14

    SMILES
    CCC(C)/C=C/C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Green 51.28%
    Herbal 48.88%
    Fresh 46.65%
    Gassy 46.1%
    Citrus 43.21%
    Fruity 33.7%
    Woody 30.67%
    Lemon 29.42%
    Sweet 29.06%
    Terpenic 28.35%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    88°C

    Flash point est.
    -11.23 ˚C

  • Synonyms

    • 4-Methyl-2-hexene
    • 2-Hexene, 4-methyl-
    • (E)-4-methylhex-2-ene
    • (E)-4-Methyl-2-hexene
    • 3404-55-5
    • 2-Hexene, 4-methyl-, (E)-
    • 4-Methyl-trans-2-hexene
    • 3683-22-5
    • 4-Methyl-2-hexene,c&t
    • trans-4-Methyl-2-hexene
    • NSC-73932
    • EINECS 222-281-0
    • 4-Methyl-2-hexene (c,t)
    • (2E)-4-Methyl-2-hexene
    • 2-Hexene, 4-methyl-, (2E)-
    • NSC73932
    • N3NP4AA3XQ
    • 4-Methyl-2-hexene, (E)-
    • 4-Methyl-2-hexene(cis+trans)
    • 2-Hexene, 4-methyl-, trans-
    • DTXSID20875696
    • MFCD00059242
    • NSC 73935
    • AKOS025295182

  • Applications

    4-Methyl-2-hexene (CAS 3683-22-5) is a branched internal olefin used mainly as a synthetic intermediate and research substrate in organic and catalytic chemistry: the internal C=C at C-2 enables hydroboration–oxidation to secondary alcohols, hydroformylation to C8 aldehydes/alcohols used as precursors to plasticizers and surfactants, epoxidation followed by ring-opening to diols, as well as halogenation, alkoxylation, olefin metathesis, isomerization, hydrosilylation and hydroamination for probing mechanisms and catalyst selectivity toward branched olefins; it can also serve as a model substrate or occasional marker/standard in GC method development owing to suitable volatility and isomer resolution, or as an alkylating agent to build pharmaceutical/agrochemical intermediates and specialty chemicals; because it is volatile and flammable, 4‑methyl‑2‑hexene is typically handled in closed systems with ventilation, anti-static controls, and compliance with hydrocarbon safety, transport and storage regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 895.81
    methanol 429.97
    isopropanol 961.84
    water 0.05
    ethyl acetate 1230.23
    n-propanol 906.99
    acetone 968.98
    n-butanol 1311.26
    acetonitrile 649.25
    DMF 472.5
    toluene 927.8
    isobutanol 800.38
    1,4-dioxane 1801.93
    methyl acetate 757.86
    THF 3340.04
    2-butanone 1186.36
    n-pentanol 897.33
    sec-butanol 1164.75
    n-hexane 2292.8
    ethylene glycol 47.27
    NMP 674.49
    cyclohexane 1923.24
    DMSO 681.25
    n-butyl acetate 3485.65
    n-octanol 843.11
    chloroform 1856.53
    n-propyl acetate 899.92
    acetic acid 299.71
    dichloromethane 1571.75
    cyclohexanone 1660.52
    propylene glycol 119.61
    isopropyl acetate 862.44
    DMAc 413.34
    2-ethoxyethanol 521.84
    isopentanol 1288.14
    n-heptane 2761.53
    ethyl formate 425.11
    1,2-dichloroethane 1147.31
    n-hexanol 2825.25
    2-methoxyethanol 689.06
    isobutyl acetate 662.92
    tetrachloromethane 754.83
    n-pentyl acetate 946.74
    transcutol 1931.18
    n-heptanol 857.69
    ethylbenzene 510.1
    MIBK 869.57
    2-propoxyethanol 1833.6
    tert-butanol 1560.57
    MTBE 2438.01
    2-butoxyethanol 769.11
    propionic acid 386.57
    o-xylene 509.12
    formic acid 35.04
    diethyl ether 2776.62
    m-xylene 648.87
    p-xylene 539.5
    chlorobenzene 753.16
    dimethyl carbonate 129.47
    n-octane 670.07
    formamide 47.58
    cyclopentanone 1355.48
    2-pentanone 1208.78
    anisole 583.25
    cyclopentyl methyl ether 1969.35
    gamma-butyrolactone 950.74
    1-methoxy-2-propanol 726.1
    pyridine 1132.41
    3-pentanone 886.23
    furfural 612.33
    n-dodecane 304.14
    diethylene glycol 450.71
    diisopropyl ether 1113.32
    tert-amyl alcohol 1479.86
    acetylacetone 699.88
    n-hexadecane 337.94
    acetophenone 362.58
    methyl propionate 603.47
    isopentyl acetate 2324.78
    trichloroethylene 1333.05
    n-nonanol 731.2
    cyclohexanol 1240.33
    benzyl alcohol 319.4
    2-ethylhexanol 2401.76
    isooctanol 742.17
    dipropyl ether 3504.55
    1,2-dichlorobenzene 567.75
    ethyl lactate 210.23
    propylene carbonate 618.71
    n-methylformamide 191.95
    2-pentanol 1264.73
    n-pentane 1599.92
    1-propoxy-2-propanol 1979.41
    1-methoxy-2-propyl acetate 1185.07
    2-(2-methoxypropoxy) propanol 577.47
    mesitylene 458.82
    ε-caprolactone 1240.61
    p-cymene 706.6
    epichlorohydrin 1364.78
    1,1,1-trichloroethane 1585.18
    2-aminoethanol 151.85
    morpholine-4-carbaldehyde 703.64
    sulfolane 960.65
    2,2,4-trimethylpentane 564.64
    2-methyltetrahydrofuran 3295.18
    n-hexyl acetate 1184.98
    isooctane 584.61
    2-(2-butoxyethoxy)ethanol 875.67
    sec-butyl acetate 671.05
    tert-butyl acetate 1044.61
    decalin 619.1
    glycerin 120.2
    diglyme 1324.35
    acrylic acid 198.43
    isopropyl myristate 574.79
    n-butyric acid 941.5
    acetyl acetate 448.17
    di(2-ethylhexyl) phthalate 301.63
    ethyl propionate 674.89
    nitromethane 378.42
    1,2-diethoxyethane 1993.57
    benzonitrile 559.42
    trioctyl phosphate 315.22
    1-bromopropane 2271.58
    gamma-valerolactone 1081.36
    n-decanol 579.87
    triethyl phosphate 397.39
    4-methyl-2-pentanol 823.13
    propionitrile 857.71
    vinylene carbonate 403.37
    1,1,2-trichlorotrifluoroethane 516.57
    DMS 343.55
    cumene 356.05
    2-octanol 698.45
    2-hexanone 1172.91
    octyl acetate 633.2
    limonene 1510.11
    1,2-dimethoxyethane 1359.41
    ethyl orthosilicate 506.86
    tributyl phosphate 386.63
    diacetone alcohol 762.03
    N,N-dimethylaniline 393.14
    acrylonitrile 529.43
    aniline 606.78
    1,3-propanediol 332.88
    bromobenzene 941.24
    dibromomethane 1694.05
    1,1,2,2-tetrachloroethane 1204.74
    2-methyl-cyclohexyl acetate 937.58
    tetrabutyl urea 440.74
    diisobutyl methanol 1117.12
    2-phenylethanol 723.81
    styrene 599.91
    dioctyl adipate 501.4
    dimethyl sulfate 155.86
    ethyl butyrate 1700.66
    methyl lactate 159.4
    butyl lactate 457.19
    diethyl carbonate 720.94
    propanediol butyl ether 463.98
    triethyl orthoformate 1098.56
    p-tert-butyltoluene 686.88
    methyl 4-tert-butylbenzoate 433.57
    morpholine 1960.73
    tert-butylamine 1572.63
    n-dodecanol 488.96
    dimethoxymethane 614.71
    ethylene carbonate 440.37
    cyrene 311.94
    2-ethoxyethyl acetate 737.76
    2-ethylhexyl acetate 2207.9
    1,2,4-trichlorobenzene 589.51
    4-methylpyridine 1227.98
    dibutyl ether 2118.66
    2,6-dimethyl-4-heptanol 1117.12
    DEF 937.08
    dimethyl isosorbide 954.42
    tetrachloroethylene 815.15
    eugenol 366.85
    triacetin 475.88
    span 80 691.15
    1,4-butanediol 128.87
    1,1-dichloroethane 1519.51
    2-methyl-1-pentanol 930.27
    methyl formate 138.95
    2-methyl-1-butanol 1159.95
    n-decane 564.83
    butyronitrile 1365.16
    3,7-dimethyl-1-octanol 1075.05
    1-chlorooctane 1067.8
    1-chlorotetradecane 408.72
    n-nonane 722.29
    undecane 387.66
    tert-butylcyclohexane 635.15
    cyclooctane 878.42
    cyclopentanol 949.61
    tetrahydropyran 3492.91
    tert-amyl methyl ether 1718.78
    2,5,8-trioxanonane 841.43
    1-hexene 3015.42
    2-isopropoxyethanol 531.44
    2,2,2-trifluoroethanol 54.42
    methyl butyrate 902.42

    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

Botanical

Name CAS Botanical Proportion
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.06%