3-Ethyl-2-methyl-1-heptene

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  • Identifiers

    CAS number
    19780-60-0

    Molecular formula
    C10H20

    SMILES
    CCCCC(CC)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 57.99%
    Citrus 51.82%
    Woody 45.96%
    Floral 45.15%
    Sweet 41.74%
    Fresh 40.59%
    Waxy 39.02%
    Fruity 35.31%
    Spicy 34.78%
    Oily 33.26%

     

    Flavor
    Citrus 37.74%
    Woody 32.91%
    Fresh 29.59%
    Herbal 29.39%
    Waxy 26.13%
    Wood 25.74%
    Herb 25.59%
    Delicate 23.22%
    Diterpene 22.76%
    Low 22.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.92 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point

    • 41.95 ˚C est.

  • Synonyms

    • 3-Ethyl-2-methyl-1-heptene
    • 19780-60-0
    • RefChem:93819
    • ZNQRZLWSGCOUEI-UHFFFAOYSA-N
    • 3-ethyl-2-methylhept-1-ene
    • SCHEMBL2889274
    • DTXSID00941560
    • AKOS006273796
    • 19780-60-0

  • Applications

    3-Ethyl-2-methyl-1-heptene (CAS 19780-60-0) is a branched terminal olefin used primarily as an industrial building block in chemical synthesis and the development of specialty products. In practice, it can serve as a building block for branched fragrance compounds used in perfumery and as an olefinic precursor for specialty polymers and coatings systems. It is often evaluated as an intermediate in the synthesis of agricultural chemicals and other industrial products; through reactions such as hydroformylation, ozonolysis, or subsequent oxidation steps, it can be converted into branched alcohols or aldehydes that support applications in fragrances and plastics. It may also be considered as a feedstock in other industrial manufacturing contexts, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5087.97
    methanol 1786.89
    isopropanol 5787.98
    water 0.03
    ethyl acetate 5755.75
    n-propanol 5066.21
    acetone 5334.88
    n-butanol 6636.19
    acetonitrile 3614.77
    DMF 1858.36
    toluene 3867.63
    isobutanol 4196.97
    1,4-dioxane 8990.82
    methyl acetate 3161.04
    THF 17215.06
    2-butanone 5286.45
    n-pentanol 4215.8
    sec-butanol 5675.89
    n-hexane 6493.26
    ethylene glycol 113.9
    NMP 1661.05
    cyclohexane 8600.73
    DMSO 2230.21
    n-butyl acetate 15753.03
    n-octanol 3005.93
    chloroform 8529.34
    n-propyl acetate 4146.32
    acetic acid 1260.23
    dichloromethane 8100.34
    cyclohexanone 7799.51
    propylene glycol 363.39
    isopropyl acetate 3842.83
    DMAc 1380.21
    2-ethoxyethanol 2075.21
    isopentanol 5622.63
    n-heptane 12150.94
    ethyl formate 2350.83
    1,2-dichloroethane 5410.66
    n-hexanol 12416.05
    2-methoxyethanol 2746.35
    isobutyl acetate 2500.74
    tetrachloromethane 2340.38
    n-pentyl acetate 4063.08
    transcutol 6593.22
    n-heptanol 3258.57
    ethylbenzene 1811.24
    MIBK 3322.77
    2-propoxyethanol 6398.84
    tert-butanol 8049.02
    MTBE 10666.77
    2-butoxyethanol 2647.27
    propionic acid 1459.94
    o-xylene 1588.57
    formic acid 97.85
    diethyl ether 13083.82
    m-xylene 2158.95
    p-xylene 2012.08
    chlorobenzene 2926.57
    dimethyl carbonate 397.36
    n-octane 2033.51
    formamide 181.88
    cyclopentanone 5824.93
    2-pentanone 5773.34
    anisole 2021.71
    cyclopentyl methyl ether 7682.03
    gamma-butyrolactone 3839.4
    1-methoxy-2-propanol 2631.28
    pyridine 6145.06
    3-pentanone 3202.26
    furfural 2007.35
    n-dodecane 744.44
    diethylene glycol 1197.9
    diisopropyl ether 4173.46
    tert-amyl alcohol 5872.46
    acetylacetone 2772.56
    n-hexadecane 872.5
    acetophenone 1149.16
    methyl propionate 2241.39
    isopentyl acetate 10742.91
    trichloroethylene 5953.42
    n-nonanol 2542.21
    cyclohexanol 5887.1
    benzyl alcohol 1036.8
    2-ethylhexanol 9806.79
    isooctanol 2570.35
    dipropyl ether 17306.5
    1,2-dichlorobenzene 1899.02
    ethyl lactate 558.91
    propylene carbonate 2408.47
    n-methylformamide 818.72
    2-pentanol 5409.26
    n-pentane 5407.33
    1-propoxy-2-propanol 7234.05
    1-methoxy-2-propyl acetate 4483.2
    2-(2-methoxypropoxy) propanol 1371.31
    mesitylene 1382.17
    ε-caprolactone 5216.86
    p-cymene 2583.53
    epichlorohydrin 5652.11
    1,1,1-trichloroethane 6456.32
    2-aminoethanol 532.41
    morpholine-4-carbaldehyde 2149.0
    sulfolane 2625.58
    2,2,4-trimethylpentane 1299.01
    2-methyltetrahydrofuran 15464.43
    n-hexyl acetate 4674.76
    isooctane 1400.7
    2-(2-butoxyethoxy)ethanol 2295.2
    sec-butyl acetate 2543.51
    tert-butyl acetate 3932.82
    decalin 1646.5
    glycerin 278.7
    diglyme 4569.13
    acrylic acid 611.55
    isopropyl myristate 1633.26
    n-butyric acid 4541.51
    acetyl acetate 1759.97
    di(2-ethylhexyl) phthalate 793.58
    ethyl propionate 2591.36
    nitromethane 1593.85
    1,2-diethoxyethane 9029.17
    benzonitrile 2442.42
    trioctyl phosphate 813.58
    1-bromopropane 9819.1
    gamma-valerolactone 4791.6
    n-decanol 1748.48
    triethyl phosphate 1188.2
    4-methyl-2-pentanol 2639.58
    propionitrile 4186.14
    vinylene carbonate 1554.41
    1,1,2-trichlorotrifluoroethane 1526.21
    DMS 994.9
    cumene 1071.38
    2-octanol 2458.42
    2-hexanone 4962.48
    octyl acetate 1830.92
    limonene 5538.93
    1,2-dimethoxyethane 6435.48
    ethyl orthosilicate 1434.37
    tributyl phosphate 1032.61
    diacetone alcohol 2409.61
    N,N-dimethylaniline 1137.05
    acrylonitrile 2407.07
    aniline 2302.07
    1,3-propanediol 1370.94
    bromobenzene 3585.76
    dibromomethane 8064.67
    1,1,2,2-tetrachloroethane 4754.99
    2-methyl-cyclohexyl acetate 2935.59
    tetrabutyl urea 1258.76
    diisobutyl methanol 4197.72
    2-phenylethanol 2483.94
    styrene 2134.32
    dioctyl adipate 1540.54
    dimethyl sulfate 367.96
    ethyl butyrate 7433.59
    methyl lactate 424.39
    butyl lactate 1543.59
    diethyl carbonate 2734.19
    propanediol butyl ether 1273.85
    triethyl orthoformate 4030.83
    p-tert-butyltoluene 2429.89
    methyl 4-tert-butylbenzoate 1116.63
    morpholine 10564.44
    tert-butylamine 7863.59
    n-dodecanol 1295.78
    dimethoxymethane 2525.98
    ethylene carbonate 1852.89
    cyrene 689.06
    2-ethoxyethyl acetate 2896.65
    2-ethylhexyl acetate 8889.99
    1,2,4-trichlorobenzene 1806.21
    4-methylpyridine 6269.39
    dibutyl ether 8345.73
    2,6-dimethyl-4-heptanol 4197.72
    DEF 3700.96
    dimethyl isosorbide 2371.63
    tetrachloroethylene 3071.25
    eugenol 838.43
    triacetin 1337.83
    span 80 1717.02
    1,4-butanediol 420.52
    1,1-dichloroethane 7356.96
    2-methyl-1-pentanol 3596.62
    methyl formate 574.26
    2-methyl-1-butanol 4739.4
    n-decane 1696.48
    butyronitrile 8257.39
    3,7-dimethyl-1-octanol 3457.63
    1-chlorooctane 3288.28
    1-chlorotetradecane 991.5
    n-nonane 2149.77
    undecane 1045.41
    tert-butylcyclohexane 1632.23
    cyclooctane 2783.29
    cyclopentanol 4589.33
    tetrahydropyran 19540.24
    tert-amyl methyl ether 5766.11
    2,5,8-trioxanonane 2229.93
    1-hexene 10877.28
    2-isopropoxyethanol 1792.29
    2,2,2-trifluoroethanol 168.8
    methyl butyrate 3849.88

    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