1-Pentene, 3-ethyl-2-methyl-

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  • Identifiers

    CAS number
    19780-66-6

    Molecular formula
    C8H16

    SMILES
    CCC(CC)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 65.76%
    Citrus 54.89%
    Woody 50.81%
    Fresh 44.56%
    Sweet 41.25%
    Spicy 38.39%
    Terpenic 38.06%
    Floral 36.49%
    Lemon 35.34%
    Pine 34.81%

     

    Flavor
    Citrus 42.11%
    Woody 35.94%
    Herbal 32.46%
    Fresh 29.5%
    Herb 29.49%
    Wood 26.66%
    Green 26.23%
    Terpene 25.85%
    Diterpene 22.49%
    Spice 22.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.72 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 10.25 ˚C est.

  • Synonyms

    • 3-Ethyl-2-methyl-1-pentene
    • 1-Pentene, 3-ethyl-2-methyl-
    • 3-ethyl-2-methylpent-1-ene
    • 2-Methyl-3-ethyl-1-pentene
    • DTXSID60173481
    • NSC 73941
    • RefChem:76901
    • DTXCID4095972
    • HPHHYSWOBXEIRG-UHFFFAOYSA-N
    • 19780-66-6
    • MFCD00048664
    • NSC-73941
    • NSC73941
    • L6UML4C77M
    • SCHEMBL677150
    • 3-ethyl-2-methyl-pent-1-ene
    • SCHEMBL25309522
    • SCHEMBL25310282
    • AKOS037645278
    • AS-59603
    • EN300-737123
    • H57966
    • 19780-66-6

  • Applications

    1-Pentene, 3-ethyl-2-methyl- (CAS 19780-66-6) is primarily used as a feedstock for branched polyolefins, acting as a comonomer to tailor polymer properties such as density and flow in plastics and films. It also serves as a chemical building block in industrial manufacturing, where it can undergo hydroformylation to give branched aldehydes and, after further processing, alcohols or acids for detergents, lubricants, and specialty intermediates. In coatings and inks, it may be used as a solvent or processing aid and can function as a monomer or co-monomer in resin systems. In perfumery, it may be evaluated as a fragrance component or odorant; and as a versatile starting material for synthesis of specialty polymers and adhesives in the plastics, coatings, and related industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1638.13
    methanol 1133.45
    isopropanol 1295.87
    water 0.08
    ethyl acetate 2210.17
    n-propanol 1615.79
    acetone 1711.0
    n-butanol 2019.9
    acetonitrile 1324.36
    DMF 671.58
    toluene 1419.8
    isobutanol 1228.22
    1,4-dioxane 3373.02
    methyl acetate 1338.12
    THF 6222.27
    2-butanone 1856.94
    n-pentanol 1300.45
    sec-butanol 1530.43
    n-hexane 2702.7
    ethylene glycol 57.23
    NMP 1220.17
    cyclohexane 2978.65
    DMSO 831.02
    n-butyl acetate 5831.15
    n-octanol 939.41
    chloroform 3656.65
    n-propyl acetate 1555.12
    acetic acid 673.72
    dichloromethane 3265.9
    cyclohexanone 3028.37
    propylene glycol 120.32
    isopropyl acetate 1454.84
    DMAc 618.79
    2-ethoxyethanol 818.69
    isopentanol 1746.46
    n-heptane 3314.41
    ethyl formate 936.59
    1,2-dichloroethane 2235.18
    n-hexanol 3816.01
    2-methoxyethanol 1110.16
    isobutyl acetate 925.97
    tetrachloromethane 1289.09
    n-pentyl acetate 1617.6
    transcutol 2913.89
    n-heptanol 1056.12
    ethylbenzene 647.57
    MIBK 1097.88
    2-propoxyethanol 2670.85
    tert-butanol 1954.13
    MTBE 3393.05
    2-butoxyethanol 1001.01
    propionic acid 615.8
    o-xylene 673.59
    formic acid 92.93
    diethyl ether 4939.89
    m-xylene 776.34
    p-xylene 748.12
    chlorobenzene 1436.23
    dimethyl carbonate 187.32
    n-octane 720.22
    formamide 129.09
    cyclopentanone 2522.68
    2-pentanone 1991.91
    anisole 837.35
    cyclopentyl methyl ether 3187.95
    gamma-butyrolactone 1918.47
    1-methoxy-2-propanol 855.01
    pyridine 2171.18
    3-pentanone 1479.55
    furfural 1243.43
    n-dodecane 273.61
    diethylene glycol 621.5
    diisopropyl ether 1620.16
    tert-amyl alcohol 1834.74
    acetylacetone 1054.15
    n-hexadecane 322.28
    acetophenone 543.06
    methyl propionate 1017.96
    isopentyl acetate 3977.73
    trichloroethylene 2634.32
    n-nonanol 823.24
    cyclohexanol 2021.31
    benzyl alcohol 464.39
    2-ethylhexanol 3187.64
    isooctanol 875.88
    dipropyl ether 5521.4
    1,2-dichlorobenzene 1048.56
    ethyl lactate 255.28
    propylene carbonate 1219.17
    n-methylformamide 387.17
    2-pentanol 1584.59
    n-pentane 1924.27
    1-propoxy-2-propanol 2714.37
    1-methoxy-2-propyl acetate 1892.56
    2-(2-methoxypropoxy) propanol 700.61
    mesitylene 543.31
    ε-caprolactone 2242.23
    p-cymene 956.97
    epichlorohydrin 2489.73
    1,1,1-trichloroethane 2547.96
    2-aminoethanol 227.25
    morpholine-4-carbaldehyde 1161.83
    sulfolane 1652.26
    2,2,4-trimethylpentane 599.11
    2-methyltetrahydrofuran 5793.92
    n-hexyl acetate 1756.24
    isooctane 524.28
    2-(2-butoxyethoxy)ethanol 1081.94
    sec-butyl acetate 1052.21
    tert-butyl acetate 1607.18
    decalin 759.38
    glycerin 131.84
    diglyme 1891.6
    acrylic acid 312.23
    isopropyl myristate 710.13
    n-butyric acid 1727.68
    acetyl acetate 810.71
    di(2-ethylhexyl) phthalate 414.82
    ethyl propionate 1111.33
    nitromethane 716.21
    1,2-diethoxyethane 3494.34
    benzonitrile 974.61
    trioctyl phosphate 389.68
    1-bromopropane 3264.32
    gamma-valerolactone 2155.2
    n-decanol 603.54
    triethyl phosphate 602.13
    4-methyl-2-pentanol 845.41
    propionitrile 1494.35
    vinylene carbonate 805.89
    1,1,2-trichlorotrifluoroethane 817.48
    DMS 581.32
    cumene 422.7
    2-octanol 781.99
    2-hexanone 1734.16
    octyl acetate 801.82
    limonene 2133.94
    1,2-dimethoxyethane 2176.81
    ethyl orthosilicate 758.17
    tributyl phosphate 539.82
    diacetone alcohol 970.81
    N,N-dimethylaniline 479.44
    acrylonitrile 938.9
    aniline 1012.94
    1,3-propanediol 552.36
    bromobenzene 1656.86
    dibromomethane 3025.7
    1,1,2,2-tetrachloroethane 2167.8
    2-methyl-cyclohexyl acetate 1484.62
    tetrabutyl urea 594.9
    diisobutyl methanol 1494.98
    2-phenylethanol 1074.25
    styrene 797.18
    dioctyl adipate 679.58
    dimethyl sulfate 210.91
    ethyl butyrate 2755.92
    methyl lactate 201.8
    butyl lactate 670.16
    diethyl carbonate 1146.69
    propanediol butyl ether 505.73
    triethyl orthoformate 1728.68
    p-tert-butyltoluene 925.56
    methyl 4-tert-butylbenzoate 581.01
    morpholine 3551.5
    tert-butylamine 1879.58
    n-dodecanol 474.84
    dimethoxymethane 918.21
    ethylene carbonate 890.67
    cyrene 408.01
    2-ethoxyethyl acetate 1316.97
    2-ethylhexyl acetate 3725.22
    1,2,4-trichlorobenzene 1031.65
    4-methylpyridine 2335.14
    dibutyl ether 2856.79
    2,6-dimethyl-4-heptanol 1494.98
    DEF 1566.83
    dimethyl isosorbide 1405.09
    tetrachloroethylene 1661.51
    eugenol 471.52
    triacetin 657.08
    span 80 798.04
    1,4-butanediol 163.85
    1,1-dichloroethane 2526.39
    2-methyl-1-pentanol 1284.18
    methyl formate 300.36
    2-methyl-1-butanol 1675.0
    n-decane 567.34
    butyronitrile 2301.11
    3,7-dimethyl-1-octanol 1199.22
    1-chlorooctane 1214.17
    1-chlorotetradecane 428.22
    n-nonane 703.85
    undecane 373.86
    tert-butylcyclohexane 755.45
    cyclooctane 1111.26
    cyclopentanol 1550.92
    tetrahydropyran 6200.61
    tert-amyl methyl ether 2338.15
    2,5,8-trioxanonane 1093.6
    1-hexene 3729.31
    2-isopropoxyethanol 686.33
    2,2,2-trifluoroethanol 115.47
    methyl butyrate 1468.16

    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