1,1-Dimethoxyhex-2-ene, (2E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18318-83-7

    Molecular formula
    C8H16O2

    SMILES
    CCC/C=C/C(OC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.9%
    Fruity 84.1%
    Apple 65.15%
    Fresh 52.08%
    Vegetable 38.94%
    Tropical 36.8%
    Melon 35.66%
    Leafy 34.76%
    Sharp 33.09%
    Fatty 32.4%

     

    Flavor
    Fruity 79.59%
    Green 54.22%
    Apple 46.07%
    Tropical 34.49%
    Pear 29.71%
    Ethereal 28.66%
    Pineapple 26.78%
    Fresh 24.69%
    Wine 24.46%
    Sweet 23.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.43 (neutral)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 41.84 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Hexenal dimethyl acetal
    • 18318-83-7
    • (E)-1,1-Dimethoxyhex-2-ene
    • 1,1-Dimethoxy-trans-2-hexene
    • 2-Hexene, 1,1-dimethoxy-, (2E)-
    • (E)-2-Hexenal, dimethyl acetal
    • trans-2-Hexen-1-al dimethyl acetal
    • 1,1-Dimethoxyhex-2-ene, (2E)-
    • 2-Hexene, 1,1-dimethoxy-, (E)-
    • 2-Hexenal, dimethyl acetal, (E)-
    • EINECS 242-204-4
    • trans-2-hexenaldimethylacetal
    • BRN 4242579
    • (2E)-1,1-dimethoxyhex-2-ene
    • 04H497DX4J
    • FEMA NO. 4098
    • DTXSID90885025
    • 1,1-DIMETHOXY-TRANS-2-HEXENE [FHFI]
    • UNII-04H497DX4J
    • Dimethyl acetal(E)-2-Hexenal
    • 1,1-Dimethoxy-(E)-2-Hexene
    • DTXCID60909686
    • 1,1-Dimethoxy-(2E)-2-Hexene
    • CHEBI:179941
    • OSVRJMZINDGZFB-VOTSOKGWSA-N
    • 2-Hexenal, dimethyl acetal, (E)-(8CI)
    • 2-Hexenal, dimethyl acetal, (E)- (8CI)
    • NS00052016
    • Q27247646
    • (E)-2-Hexenal dimethyl acetal 100 microg/mL in Acetonitrile
    • 2-Hexenal, dimethyl acetal, (E)- (8CI); 2-Hexene, 1,1-dimethoxy-, (E)-; (2E)-1,1-Dimethoxy-2-hexene; (E)-1,1-Dimethoxyhex-2-ene; trans-2-Hexenal dimethyl acetal; 2-Hexene, 1,1-dimethoxy-, (2E)-

  • Applications

    1,1-Dimethoxyhex-2-ene, (2E)- (CAS 18318-83-7) is a vinyl ether–type compound that serves as a useful building block in organic synthesis. It is commonly used as an intermediate in the preparation of fine chemicals and pharmaceuticals; as a gem-dimethoxy acetal, it can function as a carbonyl protecting group in synthetic sequences; it can act as a reactive monomer or comonomer in polymerization to form vinyl ether–based polymers and specialty resins; and in coatings, inks, and adhesives formulations it may serve as a crosslinkable monomer or reactive diluent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3215.17
    methanol 3223.49
    isopropanol 2548.71
    water 2.52
    ethyl acetate 2094.45
    n-propanol 2626.47
    acetone 2106.1
    n-butanol 2718.63
    acetonitrile 2181.32
    DMF 1553.15
    toluene 1033.74
    isobutanol 2039.56
    1,4-dioxane 3384.05
    methyl acetate 1645.18
    THF 3171.9
    2-butanone 1704.0
    n-pentanol 1688.9
    sec-butanol 2549.19
    n-hexane 803.9
    ethylene glycol 506.59
    NMP 1444.58
    cyclohexane 1904.29
    DMSO 1699.68
    n-butyl acetate 1869.4
    n-octanol 728.41
    chloroform 6852.7
    n-propyl acetate 1283.37
    acetic acid 3309.24
    dichloromethane 5735.16
    cyclohexanone 2617.74
    propylene glycol 647.84
    isopropyl acetate 1119.84
    DMAc 1062.03
    2-ethoxyethanol 1758.74
    isopentanol 2049.29
    n-heptane 617.06
    ethyl formate 1394.31
    1,2-dichloroethane 3062.13
    n-hexanol 1901.85
    2-methoxyethanol 2510.65
    isobutyl acetate 722.26
    tetrachloromethane 1998.86
    n-pentyl acetate 943.03
    transcutol 2788.51
    n-heptanol 758.95
    ethylbenzene 547.92
    MIBK 741.47
    2-propoxyethanol 1881.0
    tert-butanol 3274.13
    MTBE 2461.39
    2-butoxyethanol 1039.47
    propionic acid 1799.07
    o-xylene 602.44
    formic acid 752.13
    diethyl ether 2959.71
    m-xylene 585.41
    p-xylene 744.84
    chlorobenzene 1390.53
    dimethyl carbonate 352.34
    n-octane 185.51
    formamide 812.16
    cyclopentanone 1971.17
    2-pentanone 1467.45
    anisole 844.96
    cyclopentyl methyl ether 1975.98
    gamma-butyrolactone 2144.74
    1-methoxy-2-propanol 1552.51
    pyridine 2535.76
    3-pentanone 1064.36
    furfural 1719.79
    n-dodecane 107.59
    diethylene glycol 1183.47
    diisopropyl ether 680.9
    tert-amyl alcohol 2730.57
    acetylacetone 1025.94
    n-hexadecane 120.19
    acetophenone 702.35
    methyl propionate 1100.34
    isopentyl acetate 1358.5
    trichloroethylene 5275.44
    n-nonanol 597.87
    cyclohexanol 2768.38
    benzyl alcohol 827.27
    2-ethylhexanol 1187.41
    isooctanol 599.41
    dipropyl ether 1395.84
    1,2-dichlorobenzene 1131.95
    ethyl lactate 444.78
    propylene carbonate 1401.5
    n-methylformamide 1085.82
    2-pentanol 1926.6
    n-pentane 932.26
    1-propoxy-2-propanol 1460.12
    1-methoxy-2-propyl acetate 859.56
    2-(2-methoxypropoxy) propanol 588.45
    mesitylene 417.04
    ε-caprolactone 2073.19
    p-cymene 470.22
    epichlorohydrin 2589.5
    1,1,1-trichloroethane 3911.48
    2-aminoethanol 1069.28
    morpholine-4-carbaldehyde 1545.28
    sulfolane 1939.33
    2,2,4-trimethylpentane 333.51
    2-methyltetrahydrofuran 3414.9
    n-hexyl acetate 1101.91
    isooctane 224.36
    2-(2-butoxyethoxy)ethanol 856.34
    sec-butyl acetate 798.59
    tert-butyl acetate 1014.0
    decalin 394.53
    glycerin 722.2
    diglyme 1717.15
    acrylic acid 1322.41
    isopropyl myristate 380.75
    n-butyric acid 2954.89
    acetyl acetate 1112.13
    di(2-ethylhexyl) phthalate 330.51
    ethyl propionate 948.7
    nitromethane 2594.66
    1,2-diethoxyethane 1425.07
    benzonitrile 1240.98
    trioctyl phosphate 272.01
    1-bromopropane 2790.27
    gamma-valerolactone 2158.97
    n-decanol 409.94
    triethyl phosphate 429.48
    4-methyl-2-pentanol 771.78
    propionitrile 1882.02
    vinylene carbonate 1248.79
    1,1,2-trichlorotrifluoroethane 2205.08
    DMS 557.95
    cumene 379.66
    2-octanol 557.16
    2-hexanone 1102.8
    octyl acetate 467.04
    limonene 798.51
    1,2-dimethoxyethane 2269.45
    ethyl orthosilicate 511.58
    tributyl phosphate 338.38
    diacetone alcohol 917.03
    N,N-dimethylaniline 549.46
    acrylonitrile 1733.9
    aniline 1234.85
    1,3-propanediol 1594.5
    bromobenzene 1547.76
    dibromomethane 4374.71
    1,1,2,2-tetrachloroethane 4378.81
    2-methyl-cyclohexyl acetate 727.99
    tetrabutyl urea 385.83
    diisobutyl methanol 614.84
    2-phenylethanol 826.46
    styrene 740.65
    dioctyl adipate 492.82
    dimethyl sulfate 473.79
    ethyl butyrate 1145.36
    methyl lactate 455.63
    butyl lactate 575.92
    diethyl carbonate 734.31
    propanediol butyl ether 737.99
    triethyl orthoformate 830.33
    p-tert-butyltoluene 450.23
    methyl 4-tert-butylbenzoate 555.85
    morpholine 4003.19
    tert-butylamine 2652.96
    n-dodecanol 308.41
    dimethoxymethane 1085.36
    ethylene carbonate 1158.79
    cyrene 539.1
    2-ethoxyethyl acetate 897.44
    2-ethylhexyl acetate 1095.23
    1,2,4-trichlorobenzene 1265.67
    4-methylpyridine 2124.0
    dibutyl ether 1007.92
    2,6-dimethyl-4-heptanol 614.84
    DEF 1577.26
    dimethyl isosorbide 879.99
    tetrachloroethylene 3427.27
    eugenol 554.13
    triacetin 724.72
    span 80 686.51
    1,4-butanediol 698.57
    1,1-dichloroethane 3798.82
    2-methyl-1-pentanol 1392.27
    methyl formate 832.04
    2-methyl-1-butanol 2104.52
    n-decane 197.22
    butyronitrile 2496.9
    3,7-dimethyl-1-octanol 686.35
    1-chlorooctane 593.45
    1-chlorotetradecane 210.1
    n-nonane 225.62
    undecane 136.7
    tert-butylcyclohexane 355.08
    cyclooctane 448.3
    cyclopentanol 2239.37
    tetrahydropyran 4490.34
    tert-amyl methyl ether 1568.0
    2,5,8-trioxanonane 951.37
    1-hexene 1673.51
    2-isopropoxyethanol 1200.82
    2,2,2-trifluoroethanol 793.38
    methyl butyrate 1390.79

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
trans-2-Hexenal dimethyl acetal should not be used as a fragrance ingredient.