3-Ethyl-4-methylpent-1-ene

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  • Identifiers

    CAS number
    61847-80-1

    Molecular formula
    C8H16

    SMILES
    CCC(C=C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 71.91%
    Woody 55.23%
    Green 47.28%
    Fresh 47.02%
    Citrus 46.4%
    Spicy 45.11%
    Pine 36.87%
    Terpenic 36.19%
    Mint 35.98%
    Camphoreous 32.31%

     

    Flavor
    Citrus 28.85%
    Fresh 21.13%
    Delicate 20.55%
    Glue 20.43%
    Leathery 19.86%
    Yeasty 19.8%
    Bloody 19.79%
    Low 19.72%
    Diterpene 19.65%
    Oriental 19.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.65 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    102°C

    Flash point

    • 9.86 ˚C est.

  • Synonyms

    • 3-Ethyl-4-methylpent-1-ene
    • DTXSID90977414
    • 61847-80-1
    • RefChem:279200
    • DTXCID801404766
    • DTNALCAUPPLROB-UHFFFAOYSA-N
    • 3-ethyl-4-methyl-1-pentene
    • SCHEMBL3061436
    • SCHEMBL3170044
    • SCHEMBL3414902
    • SCHEMBL5382324
    • SCHEMBL8960921
    • SCHEMBL10493562
    • 1-Pentene, 3-ethyl-4-methyl-
    • 61847-80-1

  • Applications

    3-Ethyl-4-methylpent-1-ene (CAS 61847-80-1) is a branched terminal alpha-olefin that is primarily used as a reactive intermediate in organic synthesis. In industrial manufacturing, it may function as a monomer or comonomer in polyolefin production and as a building block for specialty polymers. It can serve as a reactive diluent or monomer in coatings and inks, and as a component in adhesive formulations. The compound is also considered for use in lubricant formulation as a feedstock for branched olefin-based lubricants. In fragrance chemistry, it may be explored as an intermediate for aroma compounds, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1464.4
    methanol 959.45
    isopropanol 1211.7
    water 0.07
    ethyl acetate 1662.13
    n-propanol 1368.05
    acetone 1365.49
    n-butanol 1746.01
    acetonitrile 946.31
    DMF 521.25
    toluene 945.22
    isobutanol 1090.88
    1,4-dioxane 2607.3
    methyl acetate 1037.49
    THF 5066.94
    2-butanone 1436.53
    n-pentanol 1085.43
    sec-butanol 1316.37
    n-hexane 2476.64
    ethylene glycol 52.11
    NMP 835.16
    cyclohexane 2482.65
    DMSO 705.36
    n-butyl acetate 4892.7
    n-octanol 834.35
    chloroform 2296.77
    n-propyl acetate 1214.57
    acetic acid 491.97
    dichloromethane 2193.63
    cyclohexanone 2287.24
    propylene glycol 108.56
    isopropyl acetate 1087.87
    DMAc 412.42
    2-ethoxyethanol 693.95
    isopentanol 1502.49
    n-heptane 3059.63
    ethyl formate 703.44
    1,2-dichloroethane 1589.22
    n-hexanol 3372.56
    2-methoxyethanol 920.52
    isobutyl acetate 733.85
    tetrachloromethane 889.22
    n-pentyl acetate 1206.65
    transcutol 2358.27
    n-heptanol 946.17
    ethylbenzene 441.08
    MIBK 914.94
    2-propoxyethanol 2255.01
    tert-butanol 1744.34
    MTBE 2871.49
    2-butoxyethanol 849.22
    propionic acid 536.22
    o-xylene 462.88
    formic acid 70.56
    diethyl ether 3982.64
    m-xylene 590.89
    p-xylene 512.87
    chlorobenzene 928.79
    dimethyl carbonate 139.22
    n-octane 638.9
    formamide 94.99
    cyclopentanone 1912.26
    2-pentanone 1627.03
    anisole 565.99
    cyclopentyl methyl ether 2470.07
    gamma-butyrolactone 1451.49
    1-methoxy-2-propanol 701.87
    pyridine 1446.15
    3-pentanone 1094.92
    furfural 843.54
    n-dodecane 253.32
    diethylene glycol 541.65
    diisopropyl ether 1357.96
    tert-amyl alcohol 1606.89
    acetylacetone 790.59
    n-hexadecane 290.27
    acetophenone 370.53
    methyl propionate 759.7
    isopentyl acetate 3143.75
    trichloroethylene 1707.19
    n-nonanol 714.49
    cyclohexanol 1616.21
    benzyl alcohol 327.41
    2-ethylhexanol 2883.43
    isooctanol 774.66
    dipropyl ether 4348.0
    1,2-dichlorobenzene 664.58
    ethyl lactate 204.35
    propylene carbonate 900.54
    n-methylformamide 303.0
    2-pentanol 1421.09
    n-pentane 1780.52
    1-propoxy-2-propanol 2266.6
    1-methoxy-2-propyl acetate 1475.44
    2-(2-methoxypropoxy) propanol 558.03
    mesitylene 433.44
    ε-caprolactone 1709.8
    p-cymene 738.69
    epichlorohydrin 1902.95
    1,1,1-trichloroethane 1790.6
    2-aminoethanol 195.74
    morpholine-4-carbaldehyde 818.52
    sulfolane 1237.4
    2,2,4-trimethylpentane 547.58
    2-methyltetrahydrofuran 4723.74
    n-hexyl acetate 1362.1
    isooctane 547.82
    2-(2-butoxyethoxy)ethanol 873.97
    sec-butyl acetate 812.49
    tert-butyl acetate 1265.68
    decalin 622.48
    glycerin 109.4
    diglyme 1496.95
    acrylic acid 247.4
    isopropyl myristate 538.74
    n-butyric acid 1317.02
    acetyl acetate 566.08
    di(2-ethylhexyl) phthalate 306.16
    ethyl propionate 829.08
    nitromethane 555.46
    1,2-diethoxyethane 2625.48
    benzonitrile 634.46
    trioctyl phosphate 317.02
    1-bromopropane 2540.69
    gamma-valerolactone 1565.17
    n-decanol 538.32
    triethyl phosphate 453.71
    4-methyl-2-pentanol 809.21
    propionitrile 1069.44
    vinylene carbonate 554.29
    1,1,2-trichlorotrifluoroethane 578.84
    DMS 402.57
    cumene 308.26
    2-octanol 684.59
    2-hexanone 1403.99
    octyl acetate 619.39
    limonene 1731.97
    1,2-dimethoxyethane 1734.95
    ethyl orthosilicate 581.81
    tributyl phosphate 411.89
    diacetone alcohol 808.47
    N,N-dimethylaniline 329.09
    acrylonitrile 649.21
    aniline 674.32
    1,3-propanediol 469.37
    bromobenzene 1068.87
    dibromomethane 2129.86
    1,1,2,2-tetrachloroethane 1410.76
    2-methyl-cyclohexyl acetate 1120.68
    tetrabutyl urea 442.18
    diisobutyl methanol 1340.28
    2-phenylethanol 836.59
    styrene 523.15
    dioctyl adipate 504.97
    dimethyl sulfate 157.56
    ethyl butyrate 2198.22
    methyl lactate 156.11
    butyl lactate 524.92
    diethyl carbonate 869.98
    propanediol butyl ether 433.87
    triethyl orthoformate 1325.99
    p-tert-butyltoluene 727.17
    methyl 4-tert-butylbenzoate 411.46
    morpholine 2847.01
    tert-butylamine 1712.73
    n-dodecanol 428.41
    dimethoxymethane 758.83
    ethylene carbonate 617.77
    cyrene 321.38
    2-ethoxyethyl acetate 988.31
    2-ethylhexyl acetate 3011.57
    1,2,4-trichlorobenzene 659.44
    4-methylpyridine 1487.12
    dibutyl ether 2267.56
    2,6-dimethyl-4-heptanol 1340.28
    DEF 1159.05
    dimethyl isosorbide 1069.37
    tetrachloroethylene 1061.86
    eugenol 354.74
    triacetin 483.36
    span 80 637.72
    1,4-butanediol 146.85
    1,1-dichloroethane 1813.25
    2-methyl-1-pentanol 1106.35
    methyl formate 232.26
    2-methyl-1-butanol 1406.33
    n-decane 498.29
    butyronitrile 1795.56
    3,7-dimethyl-1-octanol 993.14
    1-chlorooctane 986.45
    1-chlorotetradecane 367.0
    n-nonane 627.62
    undecane 336.95
    tert-butylcyclohexane 628.73
    cyclooctane 930.51
    cyclopentanol 1314.11
    tetrahydropyran 4936.72
    tert-amyl methyl ether 1935.29
    2,5,8-trioxanonane 832.58
    1-hexene 3132.18
    2-isopropoxyethanol 572.27
    2,2,2-trifluoroethanol 87.13
    methyl butyrate 1098.82

    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