(Z)-1-Methoxyhex-3-ene

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  • Identifiers

    CAS number
    70220-06-3

    Molecular formula
    C7H14O

    SMILES
    CC/C=C\CCOC

  • Odor profile

    Fragrance
    Green 92.92%
    Fruity 84.15%
    Fresh 69.52%
    Apple 65.65%
    Sweet 59.19%
    Vegetable 54.37%
    Leafy 48.37%
    Pear 45.74%
    Melon 44.23%
    Tropical 42.97%

     

    Flavor
    Green 63.86%
    Fresh 46.07%
    Fruity 45.6%
    Vegetable 32.12%
    Grassy 30.52%
    Apple 30.07%
    Fatty 29.02%
    Ethereal 28.56%
    Melon 28.17%
    Herbal 26.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.3 (neutral)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    128°C

    Flash point

    • 20.31 ˚C est.

  • Synonyms

    • (Z)-1-Methoxyhex-3-ene
    • 70220-06-3
    • EINECS 274-449-8
    • Z-1-Methoxy-3-hexene
    • (3Z)-1-Methoxy-3-hexene
    • 3-Hexene, 1-methoxy-, (Z)-
    • (Z)-1-methoxy-3-hexene
    • (Z)-3-Hexenyl methyl ether
    • SCHEMBL585233
    • cis-3-Hexen-1-ol, methyl ether
    • DTXSID001313454
    • NS00061278

  • Applications

    For (Z)-1-Methoxyhex-3-ene (CAS 70220-06-3), this compound is primarily used as an organic synthesis intermediate, enabling the formation of allylic and vinyl ether motifs. In fragrance and flavor research, it may serve as a precursor to odor-active ethers and related aroma compounds. In cosmetics and personal care, it could be evaluated as a fragrance-building block or intermediate under formulation controls. In polymers and coatings, it can act as a building block for vinyl ether–based monomers or derivatives used in specialty adhesives and coatings, influencing processing and performance. In industrial manufacturing, it supports the preparation of more complex intermediates and functionalized materials through etherification and olefin chemistry. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4306.16
    methanol 3316.74
    isopropanol 3395.07
    water 1.75
    ethyl acetate 2314.07
    n-propanol 3517.86
    acetone 2424.19
    n-butanol 3664.48
    acetonitrile 2101.12
    DMF 1595.55
    toluene 938.07
    isobutanol 2394.84
    1,4-dioxane 4031.3
    methyl acetate 1722.41
    THF 4109.78
    2-butanone 1901.33
    n-pentanol 1967.54
    sec-butanol 3007.2
    n-hexane 1117.71
    ethylene glycol 733.39
    NMP 1212.62
    cyclohexane 2212.91
    DMSO 2130.18
    n-butyl acetate 1851.7
    n-octanol 679.88
    chloroform 5489.22
    n-propyl acetate 1105.59
    acetic acid 2816.4
    dichloromethane 4426.42
    cyclohexanone 2560.12
    propylene glycol 1097.62
    isopropyl acetate 1018.98
    DMAc 878.03
    2-ethoxyethanol 1855.96
    isopentanol 2301.03
    n-heptane 1097.7
    ethyl formate 1155.56
    1,2-dichloroethane 2735.11
    n-hexanol 2675.54
    2-methoxyethanol 3015.74
    isobutyl acetate 591.99
    tetrachloromethane 1620.44
    n-pentyl acetate 714.99
    transcutol 3723.77
    n-heptanol 757.95
    ethylbenzene 410.54
    MIBK 690.39
    2-propoxyethanol 2580.13
    tert-butanol 3591.06
    MTBE 2563.14
    2-butoxyethanol 1048.84
    propionic acid 1843.66
    o-xylene 473.79
    formic acid 554.45
    diethyl ether 3538.76
    m-xylene 501.99
    p-xylene 479.51
    chlorobenzene 1124.15
    dimethyl carbonate 275.49
    n-octane 210.7
    formamide 610.3
    cyclopentanone 1971.24
    2-pentanone 1653.08
    anisole 721.87
    cyclopentyl methyl ether 2203.88
    gamma-butyrolactone 1890.83
    1-methoxy-2-propanol 2018.67
    pyridine 2580.41
    3-pentanone 1103.3
    furfural 1464.88
    n-dodecane 102.94
    diethylene glycol 1654.17
    diisopropyl ether 718.99
    tert-amyl alcohol 2576.89
    acetylacetone 1059.05
    n-hexadecane 114.44
    acetophenone 499.2
    methyl propionate 1192.54
    isopentyl acetate 1258.84
    trichloroethylene 3997.5
    n-nonanol 561.1
    cyclohexanol 3074.02
    benzyl alcohol 705.07
    2-ethylhexanol 1443.91
    isooctanol 557.86
    dipropyl ether 2079.53
    1,2-dichlorobenzene 820.96
    ethyl lactate 399.92
    propylene carbonate 1121.95
    n-methylformamide 1030.27
    2-pentanol 2285.05
    n-pentane 1446.38
    1-propoxy-2-propanol 1909.47
    1-methoxy-2-propyl acetate 979.1
    2-(2-methoxypropoxy) propanol 648.69
    mesitylene 305.92
    ε-caprolactone 1951.42
    p-cymene 375.25
    epichlorohydrin 2490.95
    1,1,1-trichloroethane 2929.56
    2-aminoethanol 1522.57
    morpholine-4-carbaldehyde 1607.57
    sulfolane 1573.35
    2,2,4-trimethylpentane 306.64
    2-methyltetrahydrofuran 4045.43
    n-hexyl acetate 887.07
    isooctane 235.61
    2-(2-butoxyethoxy)ethanol 1029.81
    sec-butyl acetate 634.98
    tert-butyl acetate 873.44
    decalin 341.35
    glycerin 1036.34
    diglyme 1804.6
    acrylic acid 1262.8
    isopropyl myristate 319.45
    n-butyric acid 3078.81
    acetyl acetate 929.02
    di(2-ethylhexyl) phthalate 266.41
    ethyl propionate 840.25
    nitromethane 2097.94
    1,2-diethoxyethane 1776.77
    benzonitrile 917.91
    trioctyl phosphate 213.91
    1-bromopropane 2969.88
    gamma-valerolactone 2108.65
    n-decanol 391.6
    triethyl phosphate 347.87
    4-methyl-2-pentanol 839.3
    propionitrile 1878.59
    vinylene carbonate 963.83
    1,1,2-trichlorotrifluoroethane 1889.62
    DMS 491.62
    cumene 255.99
    2-octanol 477.16
    2-hexanone 1047.49
    octyl acetate 406.56
    limonene 778.04
    1,2-dimethoxyethane 2308.03
    ethyl orthosilicate 417.8
    tributyl phosphate 277.54
    diacetone alcohol 882.98
    N,N-dimethylaniline 411.54
    acrylonitrile 1595.13
    aniline 1226.64
    1,3-propanediol 1946.53
    bromobenzene 1158.95
    dibromomethane 3706.73
    1,1,2,2-tetrachloroethane 3315.38
    2-methyl-cyclohexyl acetate 625.28
    tetrabutyl urea 323.66
    diisobutyl methanol 688.55
    2-phenylethanol 780.4
    styrene 591.63
    dioctyl adipate 424.78
    dimethyl sulfate 344.81
    ethyl butyrate 1191.55
    methyl lactate 478.68
    butyl lactate 468.61
    diethyl carbonate 617.9
    propanediol butyl ether 776.25
    triethyl orthoformate 775.06
    p-tert-butyltoluene 364.12
    methyl 4-tert-butylbenzoate 422.68
    morpholine 5043.92
    tert-butylamine 2797.02
    n-dodecanol 297.26
    dimethoxymethane 1184.6
    ethylene carbonate 948.73
    cyrene 451.52
    2-ethoxyethyl acetate 773.82
    2-ethylhexyl acetate 1007.27
    1,2,4-trichlorobenzene 910.72
    4-methylpyridine 1899.4
    dibutyl ether 1146.07
    2,6-dimethyl-4-heptanol 688.55
    DEF 1556.97
    dimethyl isosorbide 839.27
    tetrachloroethylene 2490.68
    eugenol 434.8
    triacetin 639.35
    span 80 802.04
    1,4-butanediol 747.22
    1,1-dichloroethane 3386.6
    2-methyl-1-pentanol 1324.0
    methyl formate 641.49
    2-methyl-1-butanol 2227.0
    n-decane 199.38
    butyronitrile 2401.08
    3,7-dimethyl-1-octanol 659.43
    1-chlorooctane 517.05
    1-chlorotetradecane 181.19
    n-nonane 240.55
    undecane 133.71
    tert-butylcyclohexane 287.53
    cyclooctane 512.38
    cyclopentanol 2521.64
    tetrahydropyran 5710.07
    tert-amyl methyl ether 1481.33
    2,5,8-trioxanonane 1073.25
    1-hexene 2067.3
    2-isopropoxyethanol 1203.12
    2,2,2-trifluoroethanol 550.49
    methyl butyrate 1142.19

    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