1-Methoxyhex-1-ene

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  • Identifiers

    CAS number
    78227-51-7

    Molecular formula
    C7H14O

    SMILES
    CCCCC=COC

  • Odor profile

    Fragrance
    Green 89.95%
    Fruity 84.29%
    Apple 57.96%
    Fresh 56.6%
    Vegetable 43.22%
    Ethereal 42.52%
    Fatty 39.37%
    Sweet 38.68%
    Sharp 36.44%
    Leafy 35.11%

     

    Flavor
    Green 70.98%
    Fruity 67.03%
    Sweet 49.89%
    Fresh 46.41%
    Apple 42.74%
    Waxy 40.71%
    Herbal 38.76%
    Rose 35.2%
    Floral 34.37%
    Earthy 32.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 19.19 ˚C est.

  • Synonyms

    • 1-methoxyhex-1-ene
    • 78227-51-7
    • DTXSID40579725
    • methoxyhexene
    • DTXCID20530490

  • Applications

    1-Methoxyhex-1-ene is a vinyl ether bearing a methoxy substituent at C1, typically used primarily as a monomer or reactive building block in cationic polymerization. In polymers and plastics, it enables the synthesis of poly(vinyl ether) copolymers with a long alkyl chain, offering tunable flexibility and processability. In coatings and inks, it can serve as a reactive diluent or co-monomer to impart improved film-forming properties and chemical resistance. In adhesives, it acts as a monomer component contributing to polymer networks with enhanced adhesion and cohesion. It also finds use as an intermediate in organic synthesis, providing a vinyl ether handle for functionalization and as a precursor to more complex molecules. All applications are subject to local regulations and formulation limits. (CAS 78227-51-7)

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5537.97
    methanol 4266.01
    isopropanol 4159.64
    water 0.86
    ethyl acetate 3033.12
    n-propanol 4186.23
    acetone 3459.97
    n-butanol 4531.26
    acetonitrile 2826.56
    DMF 2047.28
    toluene 1124.97
    isobutanol 3006.87
    1,4-dioxane 4664.16
    methyl acetate 2237.16
    THF 5102.73
    2-butanone 2475.28
    n-pentanol 2492.17
    sec-butanol 3636.62
    n-hexane 1192.51
    ethylene glycol 706.45
    NMP 1414.67
    cyclohexane 2178.02
    DMSO 2683.94
    n-butyl acetate 2949.49
    n-octanol 862.69
    chloroform 6811.61
    n-propyl acetate 1627.36
    acetic acid 3622.39
    dichloromethane 5921.76
    cyclohexanone 3304.0
    propylene glycol 1099.25
    isopropyl acetate 1362.35
    DMAc 955.14
    2-ethoxyethanol 2075.47
    isopentanol 3004.31
    n-heptane 1083.81
    ethyl formate 1693.17
    1,2-dichloroethane 3738.65
    n-hexanol 3380.37
    2-methoxyethanol 3589.95
    isobutyl acetate 837.98
    tetrachloromethane 1780.83
    n-pentyl acetate 1037.79
    transcutol 4672.96
    n-heptanol 969.21
    ethylbenzene 514.36
    MIBK 972.46
    2-propoxyethanol 3134.03
    tert-butanol 4468.27
    MTBE 3138.43
    2-butoxyethanol 1276.47
    propionic acid 2315.11
    o-xylene 527.83
    formic acid 630.88
    diethyl ether 4022.61
    m-xylene 597.51
    p-xylene 601.54
    chlorobenzene 1506.11
    dimethyl carbonate 354.43
    n-octane 228.95
    formamide 718.21
    cyclopentanone 2552.82
    2-pentanone 2232.31
    anisole 921.64
    cyclopentyl methyl ether 2559.14
    gamma-butyrolactone 2576.24
    1-methoxy-2-propanol 2370.12
    pyridine 3258.83
    3-pentanone 1336.04
    furfural 1996.39
    n-dodecane 114.08
    diethylene glycol 1829.69
    diisopropyl ether 891.2
    tert-amyl alcohol 3165.58
    acetylacetone 1524.13
    n-hexadecane 128.46
    acetophenone 654.53
    methyl propionate 1538.96
    isopentyl acetate 1886.29
    trichloroethylene 5614.01
    n-nonanol 699.49
    cyclohexanol 3564.63
    benzyl alcohol 891.14
    2-ethylhexanol 1854.45
    isooctanol 705.41
    dipropyl ether 2459.72
    1,2-dichlorobenzene 1106.42
    ethyl lactate 505.61
    propylene carbonate 1569.1
    n-methylformamide 1390.14
    2-pentanol 2833.42
    n-pentane 1315.73
    1-propoxy-2-propanol 2484.53
    1-methoxy-2-propyl acetate 1340.09
    2-(2-methoxypropoxy) propanol 778.78
    mesitylene 369.25
    ε-caprolactone 2596.03
    p-cymene 457.45
    epichlorohydrin 3476.21
    1,1,1-trichloroethane 3937.22
    2-aminoethanol 1598.23
    morpholine-4-carbaldehyde 1873.94
    sulfolane 2154.82
    2,2,4-trimethylpentane 307.75
    2-methyltetrahydrofuran 4854.18
    n-hexyl acetate 1268.36
    isooctane 267.18
    2-(2-butoxyethoxy)ethanol 1273.5
    sec-butyl acetate 888.11
    tert-butyl acetate 1221.91
    decalin 378.1
    glycerin 1059.97
    diglyme 2196.85
    acrylic acid 1561.28
    isopropyl myristate 419.13
    n-butyric acid 4126.59
    acetyl acetate 1211.88
    di(2-ethylhexyl) phthalate 332.75
    ethyl propionate 1124.03
    nitromethane 3051.35
    1,2-diethoxyethane 2283.7
    benzonitrile 1288.17
    trioctyl phosphate 273.94
    1-bromopropane 3807.86
    gamma-valerolactone 2913.08
    n-decanol 479.25
    triethyl phosphate 426.69
    4-methyl-2-pentanol 1046.94
    propionitrile 2483.76
    vinylene carbonate 1336.46
    1,1,2-trichlorotrifluoroethane 2445.3
    DMS 643.83
    cumene 318.66
    2-octanol 599.87
    2-hexanone 1520.37
    octyl acetate 534.66
    limonene 936.18
    1,2-dimethoxyethane 2878.89
    ethyl orthosilicate 496.57
    tributyl phosphate 366.39
    diacetone alcohol 1185.92
    N,N-dimethylaniline 498.13
    acrylonitrile 2271.27
    aniline 1445.87
    1,3-propanediol 2250.62
    bromobenzene 1552.78
    dibromomethane 4870.5
    1,1,2,2-tetrachloroethane 4342.03
    2-methyl-cyclohexyl acetate 801.45
    tetrabutyl urea 419.56
    diisobutyl methanol 893.17
    2-phenylethanol 1028.94
    styrene 774.71
    dioctyl adipate 543.4
    dimethyl sulfate 436.58
    ethyl butyrate 1612.93
    methyl lactate 587.31
    butyl lactate 645.63
    diethyl carbonate 815.2
    propanediol butyl ether 982.7
    triethyl orthoformate 976.84
    p-tert-butyltoluene 447.83
    methyl 4-tert-butylbenzoate 535.4
    morpholine 5876.31
    tert-butylamine 3475.72
    n-dodecanol 361.48
    dimethoxymethane 1469.47
    ethylene carbonate 1313.09
    cyrene 532.36
    2-ethoxyethyl acetate 1081.28
    2-ethylhexyl acetate 1440.22
    1,2,4-trichlorobenzene 1200.57
    4-methylpyridine 2494.92
    dibutyl ether 1449.32
    2,6-dimethyl-4-heptanol 893.17
    DEF 1937.08
    dimethyl isosorbide 1081.66
    tetrachloroethylene 3197.36
    eugenol 552.77
    triacetin 812.4
    span 80 1004.95
    1,4-butanediol 835.66
    1,1-dichloroethane 4428.85
    2-methyl-1-pentanol 1738.24
    methyl formate 912.12
    2-methyl-1-butanol 2760.27
    n-decane 219.64
    butyronitrile 3473.91
    3,7-dimethyl-1-octanol 839.66
    1-chlorooctane 627.35
    1-chlorotetradecane 210.72
    n-nonane 261.31
    undecane 148.1
    tert-butylcyclohexane 337.31
    cyclooctane 496.55
    cyclopentanol 3012.61
    tetrahydropyran 6504.64
    tert-amyl methyl ether 1764.41
    2,5,8-trioxanonane 1255.06
    1-hexene 2578.08
    2-isopropoxyethanol 1425.73
    2,2,2-trifluoroethanol 626.42
    methyl butyrate 1641.18

    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