1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-

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  • Identifiers

    CAS number
    67785-74-4

    Molecular formula
    C31H54O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.27%
    Rose 54.09%
    Waxy 51.8%
    Green 48.26%
    Fruity 47.39%
    Sweet 46.89%
    Fresh 46.17%
    Balsamic 42.1%
    Citrus 41.27%
    Muguet 40.17%

     

    Flavor
    Floral 58.3%
    Waxy 46.08%
    Rose 38.12%
    Herbal 34.04%
    Citrus 33.28%
    Sweet 31.71%
    Green 31.65%
    Fresh 31.02%
    Flower 29.56%
    Geranium 29.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    7.23 (neutral)

    Molecular weight
    458.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    458°C

    Flash point

    • 187.34 ˚C est.

  • Synonyms

    • 10-Undecenal digeranyl acetal
    • Undecylenic aldehyde digeranyl acetal
    • 11,11-Digeranyloxy-1-undecene
    • 11,11-Bis-((3,7-dimethyl-2,6-octadienyl)oxy)-1-undecene
    • 67785-74-4
    • 1-Undecene, 11,11-bis((3,7-dimethyl-2,6-octadien-1-yl)oxy)-
    • 1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
    • RefChem:235552
    • SCHEMBL9933262
    • QBQQCPSBCXSFTA-HCTXVGCHSA-N
    • 11,11-bis(((E)-3,7-dimethylocta-2,6-dien-1-yl)oxy)undec-1-ene
    • 67785-74-4

  • Applications

    1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]- (CAS 67785-74-4) is commonly used as an odorant and fragrance fixative in perfumery and cosmetic formulations; it may also serve as a fragrance component in household products; due to its bulky terpenoid-ether structure, it can act as an intermediate or functional modifier in polymer and coating formulations, including specialty resins and inks; it can also be used as a processing aid or surface-active additive in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.16
    methanol 12.41
    isopropanol 21.26
    water 0.02
    ethyl acetate 323.18
    n-propanol 39.08
    acetone 95.4
    n-butanol 63.28
    acetonitrile 23.62
    DMF 55.12
    toluene 220.03
    isobutanol 41.26
    1,4-dioxane 223.84
    methyl acetate 117.94
    THF 557.75
    2-butanone 206.12
    n-pentanol 74.36
    sec-butanol 67.88
    n-hexane 127.97
    ethylene glycol 0.52
    NMP 240.83
    cyclohexane 232.96
    DMSO 77.43
    n-butyl acetate 335.26
    n-octanol 81.59
    chloroform 750.58
    n-propyl acetate 298.5
    acetic acid 47.61
    dichloromethane 715.87
    cyclohexanone 503.2
    propylene glycol 2.61
    isopropyl acetate 306.6
    DMAc 258.37
    2-ethoxyethanol 87.85
    isopentanol 84.77
    n-heptane 115.91
    ethyl formate 62.33
    1,2-dichloroethane 392.22
    n-hexanol 74.35
    2-methoxyethanol 50.39
    isobutyl acetate 217.43
    tetrachloromethane 172.21
    n-pentyl acetate 427.5
    transcutol 618.21
    n-heptanol 83.87
    ethylbenzene 192.71
    MIBK 228.14
    2-propoxyethanol 112.25
    tert-butanol 52.86
    MTBE 266.21
    2-butoxyethanol 152.22
    propionic acid 46.01
    o-xylene 172.16
    formic acid 5.39
    diethyl ether 297.12
    m-xylene 163.18
    p-xylene 226.33
    chlorobenzene 239.33
    dimethyl carbonate 41.72
    n-octane 41.68
    formamide 9.0
    cyclopentanone 338.85
    2-pentanone 261.46
    anisole 242.38
    cyclopentyl methyl ether 467.16
    gamma-butyrolactone 279.43
    1-methoxy-2-propanol 71.93
    pyridine 217.2
    3-pentanone 270.94
    furfural 168.08
    n-dodecane 16.75
    diethylene glycol 18.6
    diisopropyl ether 177.33
    tert-amyl alcohol 123.89
    acetylacetone 253.01
    n-hexadecane 20.44
    acetophenone 243.17
    methyl propionate 168.62
    isopentyl acetate 383.88
    trichloroethylene 672.09
    n-nonanol 100.58
    cyclohexanol 145.85
    benzyl alcohol 76.3
    2-ethylhexanol 130.59
    isooctanol 109.14
    dipropyl ether 384.84
    1,2-dichlorobenzene 263.76
    ethyl lactate 59.0
    propylene carbonate 191.8
    n-methylformamide 18.69
    2-pentanol 79.33
    n-pentane 66.9
    1-propoxy-2-propanol 151.39
    1-methoxy-2-propyl acetate 293.96
    2-(2-methoxypropoxy) propanol 188.52
    mesitylene 131.8
    ε-caprolactone 521.38
    p-cymene 138.37
    epichlorohydrin 424.97
    1,1,1-trichloroethane 569.14
    2-aminoethanol 4.2
    morpholine-4-carbaldehyde 180.06
    sulfolane 334.11
    2,2,4-trimethylpentane 73.14
    2-methyltetrahydrofuran 604.8
    n-hexyl acetate 394.27
    isooctane 35.58
    2-(2-butoxyethoxy)ethanol 221.07
    sec-butyl acetate 345.54
    tert-butyl acetate 409.45
    decalin 136.27
    glycerin 4.72
    diglyme 570.82
    acrylic acid 25.19
    isopropyl myristate 159.69
    n-butyric acid 157.3
    acetyl acetate 183.41
    di(2-ethylhexyl) phthalate 97.66
    ethyl propionate 322.29
    nitromethane 80.51
    1,2-diethoxyethane 481.0
    benzonitrile 83.67
    trioctyl phosphate 68.22
    1-bromopropane 415.21
    gamma-valerolactone 390.73
    n-decanol 62.4
    triethyl phosphate 193.07
    4-methyl-2-pentanol 70.81
    propionitrile 45.94
    vinylene carbonate 132.89
    1,1,2-trichlorotrifluoroethane 170.06
    DMS 131.21
    cumene 140.23
    2-octanol 78.82
    2-hexanone 295.38
    octyl acetate 174.69
    limonene 262.03
    1,2-dimethoxyethane 263.22
    ethyl orthosilicate 243.51
    tributyl phosphate 93.55
    diacetone alcohol 191.35
    N,N-dimethylaniline 199.53
    acrylonitrile 31.76
    aniline 99.49
    1,3-propanediol 14.89
    bromobenzene 334.69
    dibromomethane 510.77
    1,1,2,2-tetrachloroethane 635.63
    2-methyl-cyclohexyl acetate 376.84
    tetrabutyl urea 139.06
    diisobutyl methanol 118.56
    2-phenylethanol 94.2
    styrene 178.93
    dioctyl adipate 226.09
    dimethyl sulfate 71.61
    ethyl butyrate 431.54
    methyl lactate 34.07
    butyl lactate 163.76
    diethyl carbonate 202.01
    propanediol butyl ether 66.42
    triethyl orthoformate 394.08
    p-tert-butyltoluene 124.32
    methyl 4-tert-butylbenzoate 285.37
    morpholine 252.21
    tert-butylamine 54.89
    n-dodecanol 43.09
    dimethoxymethane 104.69
    ethylene carbonate 136.76
    cyrene 142.57
    2-ethoxyethyl acetate 396.31
    2-ethylhexyl acetate 384.14
    1,2,4-trichlorobenzene 309.31
    4-methylpyridine 261.14
    dibutyl ether 383.95
    2,6-dimethyl-4-heptanol 118.56
    DEF 282.36
    dimethyl isosorbide 424.63
    tetrachloroethylene 376.09
    eugenol 157.68
    triacetin 301.04
    span 80 171.35
    1,4-butanediol 7.06
    1,1-dichloroethane 365.88
    2-methyl-1-pentanol 125.3
    methyl formate 16.68
    2-methyl-1-butanol 92.94
    n-decane 46.91
    butyronitrile 79.78
    3,7-dimethyl-1-octanol 124.15
    1-chlorooctane 170.28
    1-chlorotetradecane 47.22
    n-nonane 46.82
    undecane 25.26
    tert-butylcyclohexane 101.9
    cyclooctane 104.76
    cyclopentanol 81.55
    tetrahydropyran 532.82
    tert-amyl methyl ether 372.32
    2,5,8-trioxanonane 309.09
    1-hexene 207.76
    2-isopropoxyethanol 98.47
    2,2,2-trifluoroethanol 16.49
    methyl butyrate 353.54

    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