2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-

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  • Identifiers

    CAS number
    2565-83-5

    Molecular formula
    C11H20O

    SMILES
    CC(=CCC/C(=C\COC)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 86.57%
    Citrus 71.63%
    Rose 66.82%
    Sweet 60.14%
    Fresh 56.87%
    Green 55.49%
    Fruity 52.12%
    Lemon 51.98%
    Waxy 51.08%
    Tropical 40.15%

     

    Flavor
    Floral 72.16%
    Rose 65.83%
    Green 62.13%
    Fruity 61.0%
    Sweet 55.21%
    Citrus 52.64%
    Waxy 50.7%
    Bitter 50.32%
    Geranium 42.53%
    Fresh 40.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.93 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 66.69 ˚C est.

  • Synonyms

    • Neryl methyl ether
    • 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
    • EINECS 219-897-7
    • DTXSID50883865
    • 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (Z)-
    • RefChem:445857
    • DTXCID701023347
    • (Z)-1-Methoxy-3,7-dimethylocta-2,6-diene
    • 2565-83-5
    • (2Z)-1-methoxy-3,7-dimethylocta-2,6-diene
    • Nerol, methyl ether
    • MFCD27965609
    • SCHEMBL356732
    • AS-81128
    • DB-267079
    • NS00012826
    • A11376
    • (2Z)-1-methoxy-3,7-dimethyl-octa-2,6-diene
    • 2565-83-5

  • Applications

    2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)- (CAS 2565-83-5) is an organic dienyl ether used primarily as an intermediate in the synthesis of specialty chemicals; in practice, it may serve as a precursor for fragrance-related compounds and other fine chemicals, as a dienic monomer or reactive intermediate for specialty polymers and copolymers used in coatings and inks, as a building block in cosmetic/personal care formulations, and as a starting point for additional chemical syntheses, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1309.14
    methanol 730.76
    isopropanol 1239.8
    water 0.74
    ethyl acetate 1041.78
    n-propanol 1138.45
    acetone 705.25
    n-butanol 1315.16
    acetonitrile 619.15
    DMF 400.84
    toluene 587.61
    isobutanol 817.62
    1,4-dioxane 2217.59
    methyl acetate 677.98
    THF 1836.68
    2-butanone 714.96
    n-pentanol 768.19
    sec-butanol 1155.22
    n-hexane 594.97
    ethylene glycol 153.6
    NMP 360.56
    cyclohexane 1033.09
    DMSO 470.23
    n-butyl acetate 775.63
    n-octanol 427.43
    chloroform 2456.09
    n-propyl acetate 496.59
    acetic acid 705.47
    dichloromethane 1493.76
    cyclohexanone 914.3
    propylene glycol 444.38
    isopropyl acetate 548.52
    DMAc 414.25
    2-ethoxyethanol 840.27
    isopentanol 917.37
    n-heptane 565.65
    ethyl formate 405.4
    1,2-dichloroethane 855.32
    n-hexanol 1274.84
    2-methoxyethanol 1123.67
    isobutyl acetate 332.62
    tetrachloromethane 545.5
    n-pentyl acetate 382.38
    transcutol 2207.81
    n-heptanol 443.73
    ethylbenzene 323.56
    MIBK 374.36
    2-propoxyethanol 1163.25
    tert-butanol 1587.15
    MTBE 1260.67
    2-butoxyethanol 592.81
    propionic acid 551.13
    o-xylene 359.99
    formic acid 124.83
    diethyl ether 1564.21
    m-xylene 382.94
    p-xylene 376.21
    chlorobenzene 468.89
    dimethyl carbonate 126.09
    n-octane 141.0
    formamide 147.4
    cyclopentanone 654.02
    2-pentanone 653.23
    anisole 480.14
    cyclopentyl methyl ether 979.8
    gamma-butyrolactone 620.54
    1-methoxy-2-propanol 983.39
    pyridine 1042.2
    3-pentanone 473.99
    furfural 603.54
    n-dodecane 69.22
    diethylene glycol 553.0
    diisopropyl ether 423.64
    tert-amyl alcohol 1242.55
    acetylacetone 467.52
    n-hexadecane 77.99
    acetophenone 344.11
    methyl propionate 488.57
    isopentyl acetate 618.65
    trichloroethylene 1434.85
    n-nonanol 378.82
    cyclohexanol 1182.91
    benzyl alcohol 376.94
    2-ethylhexanol 726.55
    isooctanol 335.95
    dipropyl ether 1054.53
    1,2-dichlorobenzene 390.7
    ethyl lactate 239.18
    propylene carbonate 424.01
    n-methylformamide 216.44
    2-pentanol 955.6
    n-pentane 594.6
    1-propoxy-2-propanol 971.49
    1-methoxy-2-propyl acetate 589.99
    2-(2-methoxypropoxy) propanol 497.24
    mesitylene 243.68
    ε-caprolactone 832.99
    p-cymene 264.32
    epichlorohydrin 982.62
    1,1,1-trichloroethane 1198.07
    2-aminoethanol 436.73
    morpholine-4-carbaldehyde 686.5
    sulfolane 499.7
    2,2,4-trimethylpentane 173.74
    2-methyltetrahydrofuran 1680.23
    n-hexyl acetate 557.95
    isooctane 141.04
    2-(2-butoxyethoxy)ethanol 741.94
    sec-butyl acetate 388.8
    tert-butyl acetate 538.98
    decalin 234.19
    glycerin 364.92
    diglyme 1216.44
    acrylic acid 339.66
    isopropyl myristate 231.8
    n-butyric acid 969.77
    acetyl acetate 451.85
    di(2-ethylhexyl) phthalate 189.54
    ethyl propionate 436.56
    nitromethane 543.83
    1,2-diethoxyethane 938.79
    benzonitrile 431.79
    trioctyl phosphate 142.59
    1-bromopropane 1031.57
    gamma-valerolactone 919.34
    n-decanol 276.59
    triethyl phosphate 226.81
    4-methyl-2-pentanol 447.4
    propionitrile 663.29
    vinylene carbonate 403.25
    1,1,2-trichlorotrifluoroethane 720.23
    DMS 296.71
    cumene 212.96
    2-octanol 296.63
    2-hexanone 495.59
    octyl acetate 294.6
    limonene 474.63
    1,2-dimethoxyethane 1157.12
    ethyl orthosilicate 269.46
    tributyl phosphate 175.28
    diacetone alcohol 533.21
    N,N-dimethylaniline 308.36
    acrylonitrile 492.18
    aniline 601.08
    1,3-propanediol 654.17
    bromobenzene 503.32
    dibromomethane 1271.3
    1,1,2,2-tetrachloroethane 1392.15
    2-methyl-cyclohexyl acetate 420.3
    tetrabutyl urea 195.53
    diisobutyl methanol 395.13
    2-phenylethanol 441.38
    styrene 362.33
    dioctyl adipate 293.24
    dimethyl sulfate 138.63
    ethyl butyrate 585.38
    methyl lactate 226.69
    butyl lactate 292.37
    diethyl carbonate 354.57
    propanediol butyl ether 470.05
    triethyl orthoformate 461.49
    p-tert-butyltoluene 272.18
    methyl 4-tert-butylbenzoate 336.07
    morpholine 2416.8
    tert-butylamine 1307.38
    n-dodecanol 215.32
    dimethoxymethane 490.44
    ethylene carbonate 388.73
    cyrene 301.7
    2-ethoxyethyl acetate 467.64
    2-ethylhexyl acetate 522.45
    1,2,4-trichlorobenzene 464.69
    4-methylpyridine 880.05
    dibutyl ether 656.22
    2,6-dimethyl-4-heptanol 395.13
    DEF 570.16
    dimethyl isosorbide 628.71
    tetrachloroethylene 871.5
    eugenol 313.49
    triacetin 465.75
    span 80 544.84
    1,4-butanediol 250.79
    1,1-dichloroethane 1175.21
    2-methyl-1-pentanol 571.56
    methyl formate 155.05
    2-methyl-1-butanol 860.76
    n-decane 139.98
    butyronitrile 886.4
    3,7-dimethyl-1-octanol 406.66
    1-chlorooctane 320.93
    1-chlorotetradecane 129.17
    n-nonane 159.2
    undecane 92.07
    tert-butylcyclohexane 204.13
    cyclooctane 316.53
    cyclopentanol 774.2
    tetrahydropyran 2648.06
    tert-amyl methyl ether 851.83
    2,5,8-trioxanonane 733.58
    1-hexene 1008.29
    2-isopropoxyethanol 626.82
    2,2,2-trifluoroethanol 162.95
    methyl butyrate 530.21

    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