1-Octene, 7-methoxy-3,7-dimethyl-

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  • Identifiers

    CAS number
    53767-86-5

    Molecular formula
    C11H22O

    SMILES
    CC(CCCC(C)(C)OC)C=C

  • Odor profile

    Fragrance
    Citrus 73.53%
    Floral 70.88%
    Herbal 67.75%
    Fresh 60.64%
    Lemon 48.18%
    Woody 44.47%
    Rose 42.06%
    Lavender 40.86%
    Bergamot 37.76%
    Sweet 36.86%

     

    Flavor
    Citrus 44.19%
    Floral 40.91%
    Woody 36.79%
    Fresh 32.38%
    Green 29.73%
    Waxy 26.54%
    Lily 24.16%
    Oily 23.39%
    Wood 22.88%
    Delicate 21.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.27 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 55.84 ˚C est.

  • Synonyms

    • 7-Methoxy-3,7-dimethyloct-1-ene
    • 53767-86-5
    • 1-Octene, 7-methoxy-3,7-dimethyl-
    • 7-Methoxy-3,7-dimethyl-1-octene
    • EINECS 258-750-1
    • DTXSID30866358
    • 3,7-Dimethyl-7-methoxy-1-octene
    • 2,6-dimethyloct-7-en-2-yl methyl ether
    • SCHEMBL11029225
    • DTXCID40814648
    • STK676390
    • AKOS003604512
    • AKOS016347365
    • CS-0327041
    • NS00012828

  • Applications

    CAS 53767-86-5, 1-Octene, 7-methoxy-3,7-dimethyl-, is primarily used as a chemical intermediate and feedstock in organic synthesis and as a building block for specialty polymers derived from alpha-olefins. It can function as a reactive diluent or monomer in coatings, inks, and adhesives, enabling tailored curing and material properties. In perfumery and cosmetics, it may serve as an odorant or fragrance intermediate, contributing to fragrance formulations. In household products and cleaning formulations, it can act as a processing aid or carrier, while in formulation chemistry it is sometimes evaluated as a solvent or processing additive, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3617.23
    methanol 2245.14
    isopropanol 3366.32
    water 1.74
    ethyl acetate 3586.28
    n-propanol 3098.84
    acetone 1904.95
    n-butanol 3868.86
    acetonitrile 1417.65
    DMF 1091.5
    toluene 2053.54
    isobutanol 2483.27
    1,4-dioxane 5997.5
    methyl acetate 1990.56
    THF 5496.07
    2-butanone 2267.39
    n-pentanol 2548.56
    sec-butanol 3552.76
    n-hexane 2970.94
    ethylene glycol 294.14
    NMP 1180.91
    cyclohexane 3863.75
    DMSO 1088.68
    n-butyl acetate 3241.67
    n-octanol 1564.72
    chloroform 6028.95
    n-propyl acetate 1775.26
    acetic acid 1497.8
    dichloromethane 3876.92
    cyclohexanone 2874.95
    propylene glycol 752.49
    isopropyl acetate 2551.97
    DMAc 1422.29
    2-ethoxyethanol 2250.23
    isopentanol 3459.56
    n-heptane 2544.14
    ethyl formate 1131.64
    1,2-dichloroethane 2439.83
    n-hexanol 4929.36
    2-methoxyethanol 2678.79
    isobutyl acetate 1247.8
    tetrachloromethane 1877.0
    n-pentyl acetate 1541.85
    transcutol 6394.34
    n-heptanol 1665.44
    ethylbenzene 1098.51
    MIBK 1556.75
    2-propoxyethanol 3791.85
    tert-butanol 4864.86
    MTBE 6198.19
    2-butoxyethanol 1706.37
    propionic acid 1370.31
    o-xylene 1220.25
    formic acid 314.95
    diethyl ether 6166.26
    m-xylene 1283.5
    p-xylene 1339.17
    chlorobenzene 1674.32
    dimethyl carbonate 385.87
    n-octane 604.26
    formamide 371.1
    cyclopentanone 1776.95
    2-pentanone 2245.21
    anisole 1521.08
    cyclopentyl methyl ether 3757.95
    gamma-butyrolactone 1723.78
    1-methoxy-2-propanol 2352.67
    pyridine 2550.52
    3-pentanone 1817.79
    furfural 1465.44
    n-dodecane 297.37
    diethylene glycol 1492.8
    diisopropyl ether 2330.8
    tert-amyl alcohol 4537.41
    acetylacetone 1610.02
    n-hexadecane 334.1
    acetophenone 947.17
    methyl propionate 1626.56
    isopentyl acetate 2888.16
    trichloroethylene 3641.1
    n-nonanol 1405.37
    cyclohexanol 3773.27
    benzyl alcohol 973.84
    2-ethylhexanol 3218.83
    isooctanol 1298.13
    dipropyl ether 3959.54
    1,2-dichlorobenzene 1395.73
    ethyl lactate 601.62
    propylene carbonate 1288.79
    n-methylformamide 609.64
    2-pentanol 3369.13
    n-pentane 2436.42
    1-propoxy-2-propanol 3213.21
    1-methoxy-2-propyl acetate 2397.35
    2-(2-methoxypropoxy) propanol 1470.57
    mesitylene 898.84
    ε-caprolactone 2834.45
    p-cymene 885.88
    epichlorohydrin 2743.15
    1,1,1-trichloroethane 3781.95
    2-aminoethanol 932.63
    morpholine-4-carbaldehyde 2161.47
    sulfolane 1376.67
    2,2,4-trimethylpentane 1016.76
    2-methyltetrahydrofuran 5877.83
    n-hexyl acetate 2321.32
    isooctane 763.23
    2-(2-butoxyethoxy)ethanol 2125.28
    sec-butyl acetate 1619.29
    tert-butyl acetate 2605.15
    decalin 1161.22
    glycerin 731.31
    diglyme 3466.18
    acrylic acid 740.53
    isopropyl myristate 852.62
    n-butyric acid 2861.68
    acetyl acetate 1662.79
    di(2-ethylhexyl) phthalate 579.21
    ethyl propionate 1599.14
    nitromethane 1270.15
    1,2-diethoxyethane 3777.85
    benzonitrile 1209.77
    trioctyl phosphate 476.79
    1-bromopropane 3335.61
    gamma-valerolactone 2642.34
    n-decanol 996.57
    triethyl phosphate 752.49
    4-methyl-2-pentanol 1934.6
    propionitrile 1724.6
    vinylene carbonate 1047.09
    1,1,2-trichlorotrifluoroethane 1679.96
    DMS 975.68
    cumene 734.47
    2-octanol 1195.26
    2-hexanone 1750.75
    octyl acetate 996.91
    limonene 1763.28
    1,2-dimethoxyethane 3405.74
    ethyl orthosilicate 945.27
    tributyl phosphate 655.97
    diacetone alcohol 1822.96
    N,N-dimethylaniline 968.37
    acrylonitrile 1119.47
    aniline 1838.27
    1,3-propanediol 1564.77
    bromobenzene 1826.92
    dibromomethane 3348.21
    1,1,2,2-tetrachloroethane 3739.69
    2-methyl-cyclohexyl acetate 1574.53
    tetrabutyl urea 686.76
    diisobutyl methanol 1457.65
    2-phenylethanol 1476.29
    styrene 1261.26
    dioctyl adipate 966.88
    dimethyl sulfate 426.44
    ethyl butyrate 2211.22
    methyl lactate 589.73
    butyl lactate 943.55
    diethyl carbonate 1234.77
    propanediol butyl ether 1296.24
    triethyl orthoformate 1850.61
    p-tert-butyltoluene 949.36
    methyl 4-tert-butylbenzoate 975.15
    morpholine 6601.08
    tert-butylamine 4677.14
    n-dodecanol 746.5
    dimethoxymethane 1379.72
    ethylene carbonate 1185.76
    cyrene 769.93
    2-ethoxyethyl acetate 1611.03
    2-ethylhexyl acetate 2516.32
    1,2,4-trichlorobenzene 1583.33
    4-methylpyridine 2753.17
    dibutyl ether 2942.73
    2,6-dimethyl-4-heptanol 1457.65
    DEF 2099.6
    dimethyl isosorbide 1740.85
    tetrachloroethylene 2569.78
    eugenol 784.2
    triacetin 1406.07
    span 80 1482.15
    1,4-butanediol 593.64
    1,1-dichloroethane 3521.43
    2-methyl-1-pentanol 2484.86
    methyl formate 395.23
    2-methyl-1-butanol 3250.0
    n-decane 616.71
    butyronitrile 2431.31
    3,7-dimethyl-1-octanol 1734.79
    1-chlorooctane 1317.34
    1-chlorotetradecane 491.66
    n-nonane 705.05
    undecane 398.14
    tert-butylcyclohexane 1109.79
    cyclooctane 1323.34
    cyclopentanol 2236.33
    tetrahydropyran 7653.94
    tert-amyl methyl ether 4195.14
    2,5,8-trioxanonane 2032.67
    1-hexene 4224.61
    2-isopropoxyethanol 1775.0
    2,2,2-trifluoroethanol 375.84
    methyl butyrate 1735.09

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.00001 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.00001 %
Category 2
Products applied to the axillae
 0.00001 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.00001 %
Category 3
Products applied to the face/body using fingertips
 0.00001 % Category 8
Products with significant anogenital exposure
 0.0000033 %
Category 4
Products related to fine fragrance
 0.00001 % Category 9
Products with body and hand exposure, primarily rinse off
 0.0042 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.042 % Category 10A
Household care products with mostly hand contact
 0.00001 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.00001 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.61 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.00001 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.0000033 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.0000033 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.0000033 %
Category 6
Products with oral and lip exposure
 0.00001 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0.1 %