(3Z)-1-(2-Buten-1-yloxy)-3-hexene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    888744-18-1

    Molecular formula
    C10H18O

    SMILES
    CC/C=C\CCOCC=CC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 94.65%
    Fruity 75.73%
    Vegetable 61.72%
    Fresh 60.52%
    Apple 58.2%
    Herbal 52.97%
    Leafy 50.7%
    Tropical 48.28%
    Fatty 45.24%
    Grassy 42.19%

     

    Flavor
    Green 80.82%
    Vegetable 45.62%
    Fresh 45.57%
    Fruity 37.22%
    Grassy 37.08%
    Fatty 36.76%
    Herbal 33.8%
    Melon 32.79%
    Metallic 30.07%
    Earthy 29.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.32 (neutral)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 65.94 ˚C est.

  • Synonyms

    • DTXSID30889229
    • (3Z)-1-(2-Buten-1-yloxy)-3-hexene
    • 888744-18-1
    • SCHEMBL17627634
    • SGRPYYYZQSBLEY-DWJQMLCTSA-N
    • DTXCID401028493

  • Applications

    This vinyl ether-containing compound can function as a reactive intermediate in chemical synthesis and as a monomer or crosslinking component in vinyl ether polymer systems. In the polymers/plastics sector, it may serve as a functional monomer or building block for specialty polymers and copolymers prepared via cationic polymerization. In coatings and inks, it can act as a reactive monomer or crosslinking co-monomer to improve film-forming properties and adhesion. As an industrial manufacturing intermediate, it is used in the synthesis of specialty chemicals and functional materials. Its use is formulation- and regulation-dependent. Chemical name: (3Z)-1-(2-Buten-1-yloxy)-3-hexene; CAS 888744-18-1.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3010.4
    methanol 1767.42
    isopropanol 2655.81
    water 0.23
    ethyl acetate 2985.71
    n-propanol 2537.15
    acetone 2867.35
    n-butanol 2984.29
    acetonitrile 2076.91
    DMF 1275.89
    toluene 1310.84
    isobutanol 1998.38
    1,4-dioxane 4073.55
    methyl acetate 1879.85
    THF 4708.72
    2-butanone 2378.38
    n-pentanol 1987.8
    sec-butanol 2590.48
    n-hexane 2484.34
    ethylene glycol 261.48
    NMP 1122.0
    cyclohexane 3911.1
    DMSO 2567.96
    n-butyl acetate 3210.28
    n-octanol 977.9
    chloroform 6151.75
    n-propyl acetate 1844.31
    acetic acid 1807.17
    dichloromethane 5885.86
    cyclohexanone 3120.12
    propylene glycol 520.91
    isopropyl acetate 1515.71
    DMAc 941.02
    2-ethoxyethanol 1523.38
    isopentanol 2334.43
    n-heptane 2108.98
    ethyl formate 1085.2
    1,2-dichloroethane 3941.34
    n-hexanol 3006.93
    2-methoxyethanol 2094.59
    isobutyl acetate 993.81
    tetrachloromethane 1495.94
    n-pentyl acetate 1245.81
    transcutol 4718.95
    n-heptanol 909.45
    ethylbenzene 734.91
    MIBK 1144.8
    2-propoxyethanol 2362.8
    tert-butanol 3339.11
    MTBE 3362.26
    2-butoxyethanol 1052.52
    propionic acid 1358.52
    o-xylene 697.92
    formic acid 219.6
    diethyl ether 4974.96
    m-xylene 765.48
    p-xylene 858.73
    chlorobenzene 1506.24
    dimethyl carbonate 324.56
    n-octane 458.19
    formamide 302.13
    cyclopentanone 2213.19
    2-pentanone 2334.52
    anisole 998.41
    cyclopentyl methyl ether 2877.06
    gamma-butyrolactone 1835.85
    1-methoxy-2-propanol 1682.08
    pyridine 2766.56
    3-pentanone 1609.42
    furfural 1385.05
    n-dodecane 207.45
    diethylene glycol 1070.07
    diisopropyl ether 1359.6
    tert-amyl alcohol 2535.4
    acetylacetone 1533.03
    n-hexadecane 237.45
    acetophenone 760.66
    methyl propionate 1429.77
    isopentyl acetate 2125.05
    trichloroethylene 5232.49
    n-nonanol 829.49
    cyclohexanol 2825.65
    benzyl alcohol 766.7
    2-ethylhexanol 2019.83
    isooctanol 739.86
    dipropyl ether 3713.78
    1,2-dichlorobenzene 1160.88
    ethyl lactate 491.5
    propylene carbonate 1226.35
    n-methylformamide 627.31
    2-pentanol 2400.82
    n-pentane 2149.07
    1-propoxy-2-propanol 2198.34
    1-methoxy-2-propyl acetate 1434.08
    2-(2-methoxypropoxy) propanol 850.18
    mesitylene 519.89
    ε-caprolactone 2303.91
    p-cymene 615.82
    epichlorohydrin 2971.34
    1,1,1-trichloroethane 4009.42
    2-aminoethanol 680.67
    morpholine-4-carbaldehyde 1368.66
    sulfolane 1932.91
    2,2,4-trimethylpentane 475.42
    2-methyltetrahydrofuran 4715.44
    n-hexyl acetate 1572.13
    isooctane 409.31
    2-(2-butoxyethoxy)ethanol 1303.6
    sec-butyl acetate 1131.05
    tert-butyl acetate 1472.72
    decalin 710.79
    glycerin 490.3
    diglyme 2338.04
    acrylic acid 797.02
    isopropyl myristate 603.13
    n-butyric acid 2764.03
    acetyl acetate 1213.4
    di(2-ethylhexyl) phthalate 390.0
    ethyl propionate 1345.84
    nitromethane 1805.56
    1,2-diethoxyethane 3000.65
    benzonitrile 1097.99
    trioctyl phosphate 330.67
    1-bromopropane 4517.13
    gamma-valerolactone 2124.22
    n-decanol 598.75
    triethyl phosphate 538.82
    4-methyl-2-pentanol 1046.29
    propionitrile 1826.41
    vinylene carbonate 979.93
    1,1,2-trichlorotrifluoroethane 1759.28
    DMS 765.02
    cumene 460.57
    2-octanol 689.54
    2-hexanone 1773.97
    octyl acetate 699.4
    limonene 1284.21
    1,2-dimethoxyethane 2697.08
    ethyl orthosilicate 630.52
    tributyl phosphate 461.91
    diacetone alcohol 1119.43
    N,N-dimethylaniline 632.09
    acrylonitrile 1402.01
    aniline 1218.4
    1,3-propanediol 1115.74
    bromobenzene 1791.24
    dibromomethane 5142.35
    1,1,2,2-tetrachloroethane 4615.41
    2-methyl-cyclohexyl acetate 1026.65
    tetrabutyl urea 564.45
    diisobutyl methanol 1014.81
    2-phenylethanol 928.21
    styrene 1028.71
    dioctyl adipate 735.56
    dimethyl sulfate 450.87
    ethyl butyrate 1980.45
    methyl lactate 437.25
    butyl lactate 691.71
    diethyl carbonate 998.07
    propanediol butyl ether 797.32
    triethyl orthoformate 1252.18
    p-tert-butyltoluene 589.62
    methyl 4-tert-butylbenzoate 617.02
    morpholine 4571.51
    tert-butylamine 2881.15
    n-dodecanol 464.56
    dimethoxymethane 1324.6
    ethylene carbonate 984.55
    cyrene 534.32
    2-ethoxyethyl acetate 1190.57
    2-ethylhexyl acetate 1751.65
    1,2,4-trichlorobenzene 1220.91
    4-methylpyridine 2252.74
    dibutyl ether 2472.73
    2,6-dimethyl-4-heptanol 1014.81
    DEF 1920.4
    dimethyl isosorbide 1198.77
    tetrachloroethylene 3090.96
    eugenol 576.96
    triacetin 978.57
    span 80 975.61
    1,4-butanediol 463.33
    1,1-dichloroethane 4382.49
    2-methyl-1-pentanol 1613.0
    methyl formate 461.12
    2-methyl-1-butanol 2194.36
    n-decane 421.21
    butyronitrile 2594.85
    3,7-dimethyl-1-octanol 1004.29
    1-chlorooctane 1022.87
    1-chlorotetradecane 352.04
    n-nonane 537.21
    undecane 278.86
    tert-butylcyclohexane 571.68
    cyclooctane 998.32
    cyclopentanol 2037.55
    tetrahydropyran 6690.99
    tert-amyl methyl ether 2052.98
    2,5,8-trioxanonane 1407.98
    1-hexene 3841.88
    2-isopropoxyethanol 1175.15
    2,2,2-trifluoroethanol 325.05
    methyl butyrate 1863.69

    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