4-Methyl-1-hexene

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  • Identifiers

    CAS number
    3769-23-1

    Molecular formula
    C7H14

    SMILES
    CCC(C)CC=C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 50.64%
    Green 43.35%
    Gassy 42.61%
    Citrus 39.5%
    Fresh 39.09%
    Woody 28.22%
    Fruity 27.18%
    Spicy 26.45%
    Terpenic 24.86%
    Sweet 23.64%

     

    Flavor
    Citrus 37.97%
    Fresh 24.38%
    Herbal 22.13%
    Aldehydic 21.53%
    Green 21.38%
    Bloody 20.79%
    Glue 20.78%
    Delicate 20.4%
    Terpentine 20.18%
    Leathery 20.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.17 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    83°C

    Flash point

    • -12.49 ˚C est.

  • Synonyms

    • 4-METHYL-1-HEXENE
    • 3769-23-1
    • 4-Methylhex-1-ene
    • 1-Hexene, 4-methyl-
    • BNE36XR1GQ
    • EINECS 223-202-2
    • NSC-73926
    • DTXSID40863272
    • NSC 73926
    • 4Methyl1hexene
    • RefChem:524940
    • DTXCID90811920
    • (+-)-4-METHYL-1-HEXENE
    • 223-202-2
    • MFCD00039930
    • NSC73926
    • UNII-BNE36XR1GQ
    • SCHEMBL117911
    • SCHEMBL139329
    • SCHEMBL1454269
    • SCHEMBL2119484
    • SCHEMBL5052403
    • SCHEMBL5931996
    • SCHEMBL7582268
    • SCHEMBL8594718
    • SCHEMBL9324029
    • SCHEMBL9777886
    • SCHEMBL9805970
    • SCHEMBL14142457
    • SCHEMBL14142458
    • SCHEMBL17219883
    • C2H5CH(CH3)CH2CH=CH2
    • (+/-)-4-METHYL-1-HEXENE
    • AKOS025295245
    • 4-Methyl-1-hexene, >=98.0% (GC)
    • M0302
    • NS00045931
    • D91307
    • InChI=1/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H
    • 26101-60-0
    • 3769-23-1

  • Applications

    4-Methyl-1-hexene (CAS 3769-23-1) is primarily used as a reactive monomer in polyolefin production, acting as a comonomer to tailor the properties of HDPE/LLDPE resins, affecting density and processability; it also serves as an intermediate in the synthesis of specialty polymers and copolymers for coatings and adhesives; it can be a feedstock for oligomerization and functionalization to produce branched lubricant base stocks; and it is commonly evaluated in research and development for designing copolymer architectures and materials with targeted performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 547.99
    methanol 275.19
    isopropanol 612.22
    water 0.05
    ethyl acetate 665.2
    n-propanol 577.48
    acetone 564.21
    n-butanol 821.54
    acetonitrile 327.54
    DMF 262.89
    toluene 399.61
    isobutanol 519.44
    1,4-dioxane 909.21
    methyl acetate 451.59
    THF 1864.88
    2-butanone 679.94
    n-pentanol 534.59
    sec-butanol 751.71
    n-hexane 1030.42
    ethylene glycol 34.47
    NMP 359.6
    cyclohexane 817.71
    DMSO 401.02
    n-butyl acetate 1962.81
    n-octanol 459.42
    chloroform 1000.08
    n-propyl acetate 528.86
    acetic acid 192.41
    dichloromethane 774.61
    cyclohexanone 936.06
    propylene glycol 88.51
    isopropyl acetate 477.33
    DMAc 236.05
    2-ethoxyethanol 330.64
    isopentanol 793.6
    n-heptane 1405.41
    ethyl formate 256.99
    1,2-dichloroethane 553.67
    n-hexanol 1759.91
    2-methoxyethanol 453.93
    isobutyl acetate 389.83
    tetrachloromethane 372.97
    n-pentyl acetate 503.2
    transcutol 1249.45
    n-heptanol 492.3
    ethylbenzene 236.73
    MIBK 504.12
    2-propoxyethanol 1155.62
    tert-butanol 943.19
    MTBE 1300.21
    2-butoxyethanol 477.26
    propionic acid 256.3
    o-xylene 245.83
    formic acid 24.96
    diethyl ether 1275.68
    m-xylene 312.17
    p-xylene 270.55
    chlorobenzene 355.86
    dimethyl carbonate 74.82
    n-octane 316.86
    formamide 30.49
    cyclopentanone 797.99
    2-pentanone 681.07
    anisole 297.28
    cyclopentyl methyl ether 1028.13
    gamma-butyrolactone 567.02
    1-methoxy-2-propanol 487.79
    pyridine 563.36
    3-pentanone 460.54
    furfural 365.01
    n-dodecane 146.19
    diethylene glycol 338.2
    diisopropyl ether 564.02
    tert-amyl alcohol 908.49
    acetylacetone 420.73
    n-hexadecane 164.08
    acetophenone 201.0
    methyl propionate 340.77
    isopentyl acetate 1378.31
    trichloroethylene 683.01
    n-nonanol 409.95
    cyclohexanol 740.9
    benzyl alcohol 179.06
    2-ethylhexanol 1402.72
    isooctanol 435.59
    dipropyl ether 1936.56
    1,2-dichlorobenzene 286.45
    ethyl lactate 139.15
    propylene carbonate 374.38
    n-methylformamide 117.87
    2-pentanol 753.04
    n-pentane 752.55
    1-propoxy-2-propanol 1298.71
    1-methoxy-2-propyl acetate 750.94
    2-(2-methoxypropoxy) propanol 385.45
    mesitylene 242.27
    ε-caprolactone 716.83
    p-cymene 377.53
    epichlorohydrin 743.85
    1,1,1-trichloroethane 771.71
    2-aminoethanol 107.02
    morpholine-4-carbaldehyde 388.04
    sulfolane 580.37
    2,2,4-trimethylpentane 282.27
    2-methyltetrahydrofuran 1735.91
    n-hexyl acetate 643.52
    isooctane 293.54
    2-(2-butoxyethoxy)ethanol 552.49
    sec-butyl acetate 376.87
    tert-butyl acetate 614.73
    decalin 294.19
    glycerin 89.61
    diglyme 840.16
    acrylic acid 135.36
    isopropyl myristate 324.57
    n-butyric acid 593.99
    acetyl acetate 265.0
    di(2-ethylhexyl) phthalate 183.91
    ethyl propionate 371.77
    nitromethane 238.17
    1,2-diethoxyethane 1090.23
    benzonitrile 290.85
    trioctyl phosphate 191.32
    1-bromopropane 1031.27
    gamma-valerolactone 665.42
    n-decanol 335.76
    triethyl phosphate 245.21
    4-methyl-2-pentanol 486.57
    propionitrile 458.41
    vinylene carbonate 246.04
    1,1,2-trichlorotrifluoroethane 316.91
    DMS 208.94
    cumene 186.95
    2-octanol 374.14
    2-hexanone 650.39
    octyl acetate 357.51
    limonene 802.6
    1,2-dimethoxyethane 764.44
    ethyl orthosilicate 312.25
    tributyl phosphate 232.26
    diacetone alcohol 482.98
    N,N-dimethylaniline 199.78
    acrylonitrile 288.0
    aniline 293.85
    1,3-propanediol 234.27
    bromobenzene 420.87
    dibromomethane 825.67
    1,1,2,2-tetrachloroethane 635.7
    2-methyl-cyclohexyl acetate 556.21
    tetrabutyl urea 257.78
    diisobutyl methanol 680.24
    2-phenylethanol 427.99
    styrene 264.32
    dioctyl adipate 296.56
    dimethyl sulfate 93.05
    ethyl butyrate 970.86
    methyl lactate 108.91
    butyl lactate 292.15
    diethyl carbonate 442.11
    propanediol butyl ether 323.21
    triethyl orthoformate 655.06
    p-tert-butyltoluene 382.89
    methyl 4-tert-butylbenzoate 255.31
    morpholine 1048.1
    tert-butylamine 919.16
    n-dodecanol 277.49
    dimethoxymethane 338.69
    ethylene carbonate 264.68
    cyrene 200.59
    2-ethoxyethyl acetate 427.01
    2-ethylhexyl acetate 1248.26
    1,2,4-trichlorobenzene 307.81
    4-methylpyridine 575.22
    dibutyl ether 1075.36
    2,6-dimethyl-4-heptanol 680.24
    DEF 463.22
    dimethyl isosorbide 605.04
    tetrachloroethylene 428.72
    eugenol 229.06
    triacetin 293.3
    span 80 447.44
    1,4-butanediol 87.38
    1,1-dichloroethane 767.28
    2-methyl-1-pentanol 542.19
    methyl formate 86.01
    2-methyl-1-butanol 699.87
    n-decane 269.03
    butyronitrile 725.61
    3,7-dimethyl-1-octanol 602.51
    1-chlorooctane 510.77
    1-chlorotetradecane 205.86
    n-nonane 324.08
    undecane 186.86
    tert-butylcyclohexane 317.0
    cyclooctane 380.25
    cyclopentanol 583.49
    tetrahydropyran 1787.97
    tert-amyl methyl ether 910.93
    2,5,8-trioxanonane 536.85
    1-hexene 1393.48
    2-isopropoxyethanol 319.88
    2,2,2-trifluoroethanol 39.04
    methyl butyrate 496.23

    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