3-Hexene, 1-(1-methoxypropoxy)-, (3E)-

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  • Identifiers

    CAS number
    97358-54-8

    Molecular formula
    C10H20O2

    SMILES
    CC/C=C/CCOC(CC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 92.94%
    Apple 63.33%
    Fruity 60.04%
    Fresh 55.51%
    Vegetable 54.11%
    Leafy 50.91%
    Melon 41.67%
    Tropical 40.03%
    Herbal 39.8%
    Violet 39.79%

     

    Flavor
    Fruity 52.05%
    Green 50.51%
    Tropical 34.58%
    Fresh 31.35%
    Apple 27.94%
    Ethereal 25.83%
    Vegetable 25.71%
    Melon 24.43%
    Mushroom 23.24%
    Earthy 22.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.07 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point

    • 60.43 ˚C est.

  • Synonyms

    • (E)-1-(1-Methoxypropoxy)hex-3-ene
    • 97358-54-8
    • 3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
    • EINECS 306-628-4
    • 3-Hexene, 1-(1-methoxypropoxy)-, (E)-
    • DTXSID30888772
    • Leguminal
    • SCHEMBL1471455
    • SCHEMBL2729697
    • DTXCID40910790
    • LDUYDLGCMTVIIO-VOTSOKGWSA-N
    • (3E)-1-(1-Methoxypropoxy)-3-hexene
    • NS00012839
    • 306-628-4

  • Applications

    CAS 97358-54-8, chemical name: 3-Hexene, 1-(1-methoxypropoxy)-, (3E)-, is an alkenyl ether that may function as an intermediate or reactive monomer in organic synthesis and in specialty polymer formulations; it may be used as a crosslinking component or reactive diluent in coatings and inks; it can serve as a monomer in adhesive systems and polymer resins; it is sometimes evaluated as a processing solvent or carrier in chemical manufacturing; and it may act as a fragrance-related intermediate in perfumery or personal care formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5598.67
    methanol 5110.87
    isopropanol 4296.99
    water 1.41
    ethyl acetate 6350.37
    n-propanol 4672.51
    acetone 4790.96
    n-butanol 5254.98
    acetonitrile 5132.28
    DMF 2770.42
    toluene 2799.27
    isobutanol 3979.64
    1,4-dioxane 7116.8
    methyl acetate 3927.55
    THF 7017.61
    2-butanone 4718.58
    n-pentanol 3916.64
    sec-butanol 4736.32
    n-hexane 3661.72
    ethylene glycol 548.32
    NMP 2591.93
    cyclohexane 5098.83
    DMSO 4433.25
    n-butyl acetate 6004.87
    n-octanol 1808.09
    chloroform 12924.7
    n-propyl acetate 4249.48
    acetic acid 4448.25
    dichloromethane 12761.63
    cyclohexanone 5938.7
    propylene glycol 749.88
    isopropyl acetate 3923.46
    DMAc 2516.96
    2-ethoxyethanol 3733.26
    isopentanol 4858.69
    n-heptane 1881.91
    ethyl formate 2584.11
    1,2-dichloroethane 7982.02
    n-hexanol 4425.44
    2-methoxyethanol 4315.61
    isobutyl acetate 2423.49
    tetrachloromethane 3563.96
    n-pentyl acetate 2986.03
    transcutol 8701.21
    n-heptanol 1625.55
    ethylbenzene 1707.35
    MIBK 2645.08
    2-propoxyethanol 4095.45
    tert-butanol 6349.13
    MTBE 7933.47
    2-butoxyethanol 2125.94
    propionic acid 2766.84
    o-xylene 1641.02
    formic acid 945.09
    diethyl ether 10387.33
    m-xylene 1678.78
    p-xylene 2122.31
    chlorobenzene 3115.23
    dimethyl carbonate 803.57
    n-octane 596.37
    formamide 1172.75
    cyclopentanone 4098.19
    2-pentanone 4507.5
    anisole 2397.92
    cyclopentyl methyl ether 5466.21
    gamma-butyrolactone 3761.85
    1-methoxy-2-propanol 3081.15
    pyridine 5174.88
    3-pentanone 3474.37
    furfural 3010.28
    n-dodecane 310.27
    diethylene glycol 1999.72
    diisopropyl ether 2843.63
    tert-amyl alcohol 6088.8
    acetylacetone 3161.73
    n-hexadecane 355.36
    acetophenone 1936.18
    methyl propionate 3008.9
    isopentyl acetate 4485.53
    trichloroethylene 11480.36
    n-nonanol 1503.06
    cyclohexanol 5212.08
    benzyl alcohol 1773.48
    2-ethylhexanol 3242.27
    isooctanol 1463.78
    dipropyl ether 4831.64
    1,2-dichlorobenzene 2628.24
    ethyl lactate 1008.59
    propylene carbonate 2339.37
    n-methylformamide 1610.99
    2-pentanol 4548.97
    n-pentane 2785.91
    1-propoxy-2-propanol 3453.76
    1-methoxy-2-propyl acetate 2798.08
    2-(2-methoxypropoxy) propanol 1584.17
    mesitylene 1203.56
    ε-caprolactone 4946.0
    p-cymene 1213.07
    epichlorohydrin 6000.42
    1,1,1-trichloroethane 8191.54
    2-aminoethanol 1324.68
    morpholine-4-carbaldehyde 3322.68
    sulfolane 3670.25
    2,2,4-trimethylpentane 1101.85
    2-methyltetrahydrofuran 8117.82
    n-hexyl acetate 3440.58
    isooctane 756.61
    2-(2-butoxyethoxy)ethanol 2302.85
    sec-butyl acetate 2955.89
    tert-butyl acetate 3592.57
    decalin 1267.54
    glycerin 922.37
    diglyme 4434.28
    acrylic acid 1857.27
    isopropyl myristate 1110.82
    n-butyric acid 5095.48
    acetyl acetate 2977.56
    di(2-ethylhexyl) phthalate 808.69
    ethyl propionate 3167.4
    nitromethane 4659.06
    1,2-diethoxyethane 5996.75
    benzonitrile 2681.88
    trioctyl phosphate 628.39
    1-bromopropane 7742.27
    gamma-valerolactone 4490.14
    n-decanol 1022.84
    triethyl phosphate 1154.45
    4-methyl-2-pentanol 2228.15
    propionitrile 4198.43
    vinylene carbonate 2052.77
    1,1,2-trichlorotrifluoroethane 3831.11
    DMS 1616.38
    cumene 1133.7
    2-octanol 1379.34
    2-hexanone 3736.22
    octyl acetate 1289.88
    limonene 2238.71
    1,2-dimethoxyethane 6020.26
    ethyl orthosilicate 1420.07
    tributyl phosphate 945.99
    diacetone alcohol 2460.49
    N,N-dimethylaniline 1602.61
    acrylonitrile 3453.37
    aniline 2686.0
    1,3-propanediol 2328.53
    bromobenzene 3817.6
    dibromomethane 10383.01
    1,1,2,2-tetrachloroethane 9809.52
    2-methyl-cyclohexyl acetate 2024.53
    tetrabutyl urea 1065.0
    diisobutyl methanol 1587.89
    2-phenylethanol 1890.4
    styrene 2157.98
    dioctyl adipate 1340.96
    dimethyl sulfate 1076.7
    ethyl butyrate 3832.88
    methyl lactate 855.19
    butyl lactate 1447.68
    diethyl carbonate 2043.45
    propanediol butyl ether 1544.9
    triethyl orthoformate 2385.93
    p-tert-butyltoluene 1109.62
    methyl 4-tert-butylbenzoate 1326.03
    morpholine 8011.82
    tert-butylamine 5775.05
    n-dodecanol 774.3
    dimethoxymethane 2767.28
    ethylene carbonate 2056.58
    cyrene 1163.06
    2-ethoxyethyl acetate 2811.21
    2-ethylhexyl acetate 3762.55
    1,2,4-trichlorobenzene 2780.45
    4-methylpyridine 5262.41
    dibutyl ether 4062.91
    2,6-dimethyl-4-heptanol 1587.89
    DEF 4578.19
    dimethyl isosorbide 2227.6
    tetrachloroethylene 7222.06
    eugenol 1246.63
    triacetin 1892.54
    span 80 1621.19
    1,4-butanediol 1157.05
    1,1-dichloroethane 8359.87
    2-methyl-1-pentanol 3909.2
    methyl formate 1263.02
    2-methyl-1-butanol 4762.23
    n-decane 618.84
    butyronitrile 5465.27
    3,7-dimethyl-1-octanol 1977.36
    1-chlorooctane 1787.75
    1-chlorotetradecane 594.25
    n-nonane 737.45
    undecane 407.83
    tert-butylcyclohexane 1177.61
    cyclooctane 1434.92
    cyclopentanol 3490.71
    tetrahydropyran 10588.55
    tert-amyl methyl ether 5219.8
    2,5,8-trioxanonane 2442.61
    1-hexene 6168.3
    2-isopropoxyethanol 2867.01
    2,2,2-trifluoroethanol 1054.15
    methyl butyrate 4280.94

    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