3-Ethyl-2-pentene

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  • Identifiers

    CAS number
    816-79-5

    Molecular formula
    C7H14

    SMILES
    CCC(=CC)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Gassy 44.36%
    Herbal 44.27%
    Fresh 42.66%
    Fruity 35.7%
    Citrus 34.3%
    Ethereal 31.14%
    Sweet 30.28%
    Woody 27.61%
    Spicy 26.84%
    Terpenic 26.49%

     

    Flavor
    Citrus 41.02%
    Gasoline 28.08%
    Woody 27.67%
    Fresh 25.45%
    Green 22.53%
    Solvent 21.47%
    Spicy 21.09%
    Alkane 20.91%
    Rotten 20.85%
    Low 20.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    11.3 (strong base)

    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

    • -0.97 ˚C est.

  • Synonyms

    • 3-ETHYL-2-PENTENE
    • 816-79-5
    • 3-Ethylpent-2-ene
    • 2-Pentene, 3-ethyl-
    • MZR8TM946I
    • EINECS 212-438-1
    • NSC 74144
    • NSC-74144
    • DTXSID6061159
    • 3Ethylpent2ene
    • 2Pentene, 3ethyl
    • RefChem:501338
    • DTXCID4048228
    • MFCD00027079
    • 1,1-Diethyl-1-propene
    • 3-ethyl-pent-2-ene
    • UNII-MZR8TM946I
    • 3-Ethyl-2-pentene, 97%
    • SCHEMBL310794
    • SCHEMBL487117
    • SCHEMBL487520
    • SCHEMBL2120091
    • SCHEMBL2120094
    • SCHEMBL8873743
    • SCHEMBL17219881
    • SCHEMBL17219882
    • XMYFZAWUNVHVGI-UHFFFAOYSA-
    • NSC74144
    • SBB059883
    • AKOS015916309
    • SY052914
    • E0158
    • NS00038147
    • ST50409778
    • D90447
    • InChI=1/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3
    • 816-79-5

  • Applications

    3-Ethyl-2-pentene (CAS 816-79-5) is primarily used as an intermediate in organic synthesis, providing a branched vinyl building block for downstream chemicals. It can serve as a reactive monomer or comonomer in the production of branched polyolefins and related plastics under suitable catalysts. It is employed as a specialty solvent or reaction diluent in certain industrial formulations, enabling controlled solvation of organics in applications such as coatings and paints. In refinery and chemical processing streams, it may act as a feedstock for transformations to higher-value olefin derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.79
    methanol 242.24
    isopropanol 269.97
    water 0.06
    ethyl acetate 681.93
    n-propanol 374.22
    acetone 411.66
    n-butanol 490.92
    acetonitrile 400.96
    DMF 256.2
    toluene 646.12
    isobutanol 276.75
    1,4-dioxane 1180.73
    methyl acetate 418.83
    THF 1784.35
    2-butanone 593.75
    n-pentanol 358.36
    sec-butanol 386.98
    n-hexane 962.4
    ethylene glycol 18.69
    NMP 587.04
    cyclohexane 1158.04
    DMSO 329.31
    n-butyl acetate 1886.75
    n-octanol 320.22
    chloroform 1713.12
    n-propyl acetate 562.75
    acetic acid 189.51
    dichloromethane 1561.81
    cyclohexanone 1110.37
    propylene glycol 36.44
    isopropyl acetate 475.64
    DMAc 275.47
    2-ethoxyethanol 262.75
    isopentanol 447.2
    n-heptane 1314.3
    ethyl formate 272.01
    1,2-dichloroethane 1010.78
    n-hexanol 909.43
    2-methoxyethanol 322.76
    isobutyl acetate 350.67
    tetrachloromethane 662.92
    n-pentyl acetate 649.88
    transcutol 1266.26
    n-heptanol 357.7
    ethylbenzene 368.66
    MIBK 360.92
    2-propoxyethanol 702.73
    tert-butanol 438.33
    MTBE 913.27
    2-butoxyethanol 353.35
    propionic acid 201.05
    o-xylene 359.65
    formic acid 30.8
    diethyl ether 1423.8
    m-xylene 368.11
    p-xylene 404.03
    chlorobenzene 703.24
    dimethyl carbonate 84.1
    n-octane 325.7
    formamide 48.11
    cyclopentanone 914.0
    2-pentanone 607.8
    anisole 468.1
    cyclopentyl methyl ether 1108.0
    gamma-butyrolactone 719.13
    1-methoxy-2-propanol 265.38
    pyridine 1043.05
    3-pentanone 546.97
    furfural 570.83
    n-dodecane 143.55
    diethylene glycol 188.48
    diisopropyl ether 498.4
    tert-amyl alcohol 543.66
    acetylacetone 409.75
    n-hexadecane 165.2
    acetophenone 333.57
    methyl propionate 335.52
    isopentyl acetate 1264.85
    trichloroethylene 1285.34
    n-nonanol 314.53
    cyclohexanol 575.1
    benzyl alcohol 219.49
    2-ethylhexanol 948.66
    isooctanol 311.1
    dipropyl ether 1933.42
    1,2-dichlorobenzene 606.95
    ethyl lactate 113.11
    propylene carbonate 454.27
    n-methylformamide 121.92
    2-pentanol 416.58
    n-pentane 648.81
    1-propoxy-2-propanol 746.24
    1-methoxy-2-propyl acetate 652.29
    2-(2-methoxypropoxy) propanol 356.08
    mesitylene 274.08
    ε-caprolactone 859.62
    p-cymene 493.25
    epichlorohydrin 967.18
    1,1,1-trichloroethane 1214.07
    2-aminoethanol 65.73
    morpholine-4-carbaldehyde 529.44
    sulfolane 748.98
    2,2,4-trimethylpentane 235.55
    2-methyltetrahydrofuran 1794.29
    n-hexyl acetate 679.72
    isooctane 191.14
    2-(2-butoxyethoxy)ethanol 485.61
    sec-butyl acetate 413.92
    tert-butyl acetate 548.29
    decalin 383.96
    glycerin 46.14
    diglyme 876.96
    acrylic acid 129.51
    isopropyl myristate 369.69
    n-butyric acid 477.56
    acetyl acetate 332.25
    di(2-ethylhexyl) phthalate 223.44
    ethyl propionate 467.56
    nitromethane 259.5
    1,2-diethoxyethane 1455.77
    benzonitrile 475.44
    trioctyl phosphate 183.14
    1-bromopropane 1404.67
    gamma-valerolactone 820.01
    n-decanol 248.21
    triethyl phosphate 338.24
    4-methyl-2-pentanol 254.07
    propionitrile 497.87
    vinylene carbonate 341.77
    1,1,2-trichlorotrifluoroethane 376.94
    DMS 287.17
    cumene 249.74
    2-octanol 285.58
    2-hexanone 619.99
    octyl acetate 389.85
    limonene 988.57
    1,2-dimethoxyethane 777.59
    ethyl orthosilicate 394.96
    tributyl phosphate 254.63
    diacetone alcohol 332.22
    N,N-dimethylaniline 301.3
    acrylonitrile 348.49
    aniline 405.36
    1,3-propanediol 135.88
    bromobenzene 870.4
    dibromomethane 1393.76
    1,1,2,2-tetrachloroethane 1125.59
    2-methyl-cyclohexyl acetate 687.91
    tetrabutyl urea 307.37
    diisobutyl methanol 518.78
    2-phenylethanol 445.08
    styrene 471.64
    dioctyl adipate 385.75
    dimethyl sulfate 114.0
    ethyl butyrate 1154.29
    methyl lactate 82.33
    butyl lactate 259.59
    diethyl carbonate 541.14
    propanediol butyl ether 189.94
    triethyl orthoformate 776.61
    p-tert-butyltoluene 461.78
    methyl 4-tert-butylbenzoate 331.61
    morpholine 1140.9
    tert-butylamine 491.22
    n-dodecanol 209.4
    dimethoxymethane 315.89
    ethylene carbonate 334.13
    cyrene 223.91
    2-ethoxyethyl acetate 569.34
    2-ethylhexyl acetate 1291.51
    1,2,4-trichlorobenzene 641.65
    4-methylpyridine 912.61
    dibutyl ether 1161.74
    2,6-dimethyl-4-heptanol 518.78
    DEF 567.16
    dimethyl isosorbide 753.07
    tetrachloroethylene 849.1
    eugenol 275.33
    triacetin 356.14
    span 80 401.32
    1,4-butanediol 49.84
    1,1-dichloroethane 959.78
    2-methyl-1-pentanol 393.17
    methyl formate 93.21
    2-methyl-1-butanol 443.66
    n-decane 273.29
    butyronitrile 646.84
    3,7-dimethyl-1-octanol 446.11
    1-chlorooctane 547.74
    1-chlorotetradecane 239.95
    n-nonane 324.46
    undecane 186.43
    tert-butylcyclohexane 342.93
    cyclooctane 506.14
    cyclopentanol 422.07
    tetrahydropyran 1985.89
    tert-amyl methyl ether 741.54
    2,5,8-trioxanonane 602.55
    1-hexene 1349.62
    2-isopropoxyethanol 225.55
    2,2,2-trifluoroethanol 44.69
    methyl butyrate 562.41

    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