4-Methyl-1-pentene

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  • Identifiers

    CAS number
    691-37-2

    Molecular formula
    C6H12

    SMILES
    CC(C)CC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 55.13%
    Green 54.13%
    Fresh 46.63%
    Gassy 41.34%
    Fruity 40.49%
    Woody 33.5%
    Spicy 32.79%
    Pungent 32.41%
    Citrus 32.25%
    Sweet 28.11%

     

    Flavor
    Citrus 27.48%
    Fishy 24.72%
    Glue 21.3%
    Bloody 20.38%
    Yeasty 20.04%
    Leathery 19.71%
    Green 19.4%
    Skunky 19.32%
    Delicate 19.26%
    Rotten 19.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.22 (weak base)

    Molecular weight
    84.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 127.4 to 129.2 °F at 760 mmHg (USCG, 1999)

    Flash point

    • -31.38 ˚C est.
    • -25 °F (USCG, 1999)

  • Synonyms

    • 4-METHYL-1-PENTENE
    • 691-37-2
    • 4-Methylpent-1-ene
    • 1-Pentene, 4-methyl-
    • Isobutylethene
    • MFCD00008949
    • X10HRJ2Y7W
    • NSC-15091
    • Isohexene
    • 4-methylpentene-1
    • UNII-X10HRJ2Y7W
    • 4-methylpentene
    • EINECS 211-720-1
    • NSC 15091
    • 4-methyl pent-1-ene
    • 4-Methylpentene-(1)
    • EC 211-720-1
    • SCHEMBL20071
    • SCHEMBL20601
    • SCHEMBL21207
    • SCHEMBL21208
    • SCHEMBL40507
    • 4-Methyl-1-pentene, 98%
    • SCHEMBL247513
    • SCHEMBL283784
    • SCHEMBL755012
    • (CH3)2CHCH2CH=CH2
    • SCHEMBL5335364
    • SCHEMBL8742565
    • SCHEMBL9021591
    • DTXSID3061001
    • SCHEMBL10680610
    • SCHEMBL11462327
    • SCHEMBL20523463
    • CHEBI:230295
    • NSC15091
    • AKOS009158728
    • 4-Methyl-1-pentene, analytical standard
    • M0392
    • NS00003382
    • EN300-76395
    • Q229999
    • InChI=1/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H
    • 691-37-2

  • Applications

    4-Methyl-1-pentene (CAS 691-37-2) is an alpha-olefin commonly used as a comonomer in ethylene-based polymerization to produce branched polyolefins, enabling tuning of polymer properties such as crystallinity, toughness and processability for packaging films, molded parts and automotive components. It also serves as a chemical intermediate for the synthesis of higher-value olefin derivatives via reactions such as hydroformylation, oxidation, or alkylation, providing alcohols, aldehydes, and other intermediates for specialty chemicals. Additionally, it can be considered as a feedstock for branched polymers or copolymers used in specialty plastics and coatings. In certain processing steps, it may be used as a processing solvent or reaction medium, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 562.04
    methanol 410.75
    isopropanol 432.81
    water 0.13
    ethyl acetate 435.01
    n-propanol 503.36
    acetone 416.37
    n-butanol 683.49
    acetonitrile 214.02
    DMF 193.78
    toluene 258.51
    isobutanol 379.64
    1,4-dioxane 670.11
    methyl acetate 306.16
    THF 1515.74
    2-butanone 451.52
    n-pentanol 414.59
    sec-butanol 485.38
    n-hexane 931.29
    ethylene glycol 46.66
    NMP 352.93
    cyclohexane 827.52
    DMSO 256.29
    n-butyl acetate 1335.01
    n-octanol 403.82
    chloroform 615.41
    n-propyl acetate 338.2
    acetic acid 262.01
    dichloromethane 485.53
    cyclohexanone 735.14
    propylene glycol 94.3
    isopropyl acetate 320.94
    DMAc 181.73
    2-ethoxyethanol 266.86
    isopentanol 539.41
    n-heptane 1436.5
    ethyl formate 199.15
    1,2-dichloroethane 335.16
    n-hexanol 1368.39
    2-methoxyethanol 397.37
    isobutyl acetate 258.81
    tetrachloromethane 247.12
    n-pentyl acetate 375.01
    transcutol 936.29
    n-heptanol 439.97
    ethylbenzene 153.15
    MIBK 317.74
    2-propoxyethanol 936.86
    tert-butanol 609.92
    MTBE 756.76
    2-butoxyethanol 396.13
    propionic acid 237.4
    o-xylene 171.71
    formic acid 46.0
    diethyl ether 928.23
    m-xylene 203.12
    p-xylene 184.2
    chlorobenzene 247.54
    dimethyl carbonate 55.78
    n-octane 299.46
    formamide 40.71
    cyclopentanone 640.1
    2-pentanone 495.44
    anisole 193.96
    cyclopentyl methyl ether 879.11
    gamma-butyrolactone 472.83
    1-methoxy-2-propanol 332.63
    pyridine 358.51
    3-pentanone 352.62
    furfural 293.49
    n-dodecane 140.77
    diethylene glycol 310.37
    diisopropyl ether 412.69
    tert-amyl alcohol 557.55
    acetylacetone 280.92
    n-hexadecane 153.65
    acetophenone 146.49
    methyl propionate 240.15
    isopentyl acetate 961.2
    trichloroethylene 422.36
    n-nonanol 360.06
    cyclohexanol 610.71
    benzyl alcohol 128.6
    2-ethylhexanol 1122.68
    isooctanol 340.54
    dipropyl ether 1532.32
    1,2-dichlorobenzene 200.6
    ethyl lactate 98.49
    propylene carbonate 303.86
    n-methylformamide 108.57
    2-pentanol 513.56
    n-pentane 690.13
    1-propoxy-2-propanol 1026.82
    1-methoxy-2-propyl acetate 542.83
    2-(2-methoxypropoxy) propanol 308.89
    mesitylene 159.15
    ε-caprolactone 552.3
    p-cymene 290.36
    epichlorohydrin 474.88
    1,1,1-trichloroethane 453.66
    2-aminoethanol 126.25
    morpholine-4-carbaldehyde 313.94
    sulfolane 462.12
    2,2,4-trimethylpentane 231.39
    2-methyltetrahydrofuran 1304.65
    n-hexyl acetate 509.41
    isooctane 216.02
    2-(2-butoxyethoxy)ethanol 445.35
    sec-butyl acetate 255.64
    tert-butyl acetate 410.95
    decalin 253.04
    glycerin 94.31
    diglyme 604.66
    acrylic acid 130.64
    isopropyl myristate 251.91
    n-butyric acid 498.89
    acetyl acetate 206.68
    di(2-ethylhexyl) phthalate 159.35
    ethyl propionate 252.96
    nitromethane 207.88
    1,2-diethoxyethane 779.88
    benzonitrile 181.77
    trioctyl phosphate 161.03
    1-bromopropane 642.86
    gamma-valerolactone 540.98
    n-decanol 279.28
    triethyl phosphate 191.91
    4-methyl-2-pentanol 304.09
    propionitrile 276.79
    vinylene carbonate 183.09
    1,1,2-trichlorotrifluoroethane 250.94
    DMS 170.4
    cumene 125.25
    2-octanol 299.25
    2-hexanone 451.17
    octyl acetate 296.92
    limonene 684.68
    1,2-dimethoxyethane 537.38
    ethyl orthosilicate 243.84
    tributyl phosphate 204.94
    diacetone alcohol 335.05
    N,N-dimethylaniline 134.29
    acrylonitrile 173.42
    aniline 204.0
    1,3-propanediol 226.35
    bromobenzene 264.3
    dibromomethane 522.16
    1,1,2,2-tetrachloroethane 390.21
    2-methyl-cyclohexyl acetate 476.17
    tetrabutyl urea 227.17
    diisobutyl methanol 534.76
    2-phenylethanol 321.71
    styrene 167.07
    dioctyl adipate 253.25
    dimethyl sulfate 61.93
    ethyl butyrate 683.97
    methyl lactate 87.69
    butyl lactate 234.32
    diethyl carbonate 296.88
    propanediol butyl ether 265.78
    triethyl orthoformate 502.32
    p-tert-butyltoluene 291.63
    methyl 4-tert-butylbenzoate 210.1
    morpholine 753.63
    tert-butylamine 576.33
    n-dodecanol 230.54
    dimethoxymethane 250.08
    ethylene carbonate 192.55
    cyrene 173.21
    2-ethoxyethyl acetate 314.2
    2-ethylhexyl acetate 882.84
    1,2,4-trichlorobenzene 210.4
    4-methylpyridine 356.59
    dibutyl ether 854.03
    2,6-dimethyl-4-heptanol 534.76
    DEF 343.51
    dimethyl isosorbide 478.01
    tetrachloroethylene 292.33
    eugenol 184.11
    triacetin 246.74
    span 80 379.12
    1,4-butanediol 83.31
    1,1-dichloroethane 434.81
    2-methyl-1-pentanol 376.43
    methyl formate 83.21
    2-methyl-1-butanol 512.75
    n-decane 260.56
    butyronitrile 476.0
    3,7-dimethyl-1-octanol 467.64
    1-chlorooctane 414.12
    1-chlorotetradecane 180.03
    n-nonane 311.19
    undecane 181.47
    tert-butylcyclohexane 266.15
    cyclooctane 383.54
    cyclopentanol 498.22
    tetrahydropyran 1299.74
    tert-amyl methyl ether 611.49
    2,5,8-trioxanonane 414.21
    1-hexene 1005.41
    2-isopropoxyethanol 236.24
    2,2,2-trifluoroethanol 50.85
    methyl butyrate 329.94

    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