Digeranyl ether

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  • Identifiers

    CAS number
    31147-36-1

    Molecular formula
    C20H34O

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

  • Odor profile

    Floral 85.81%
    Rose 64.45%
    Sweet 54.83%
    Waxy 51.25%
    Citrus 49.91%
    Fruity 48.75%
    Fresh 45.39%
    Green 44.81%
    Balsamic 42.87%
    Lemon 37.83%

    Scent© AI

  • Properties

    XLogP3-AA
    6.8

    Molecular weight
    290.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point est.
    138.57 ˚C

    Solubility expt.

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

  • Synonyms

    • Digeranyl ether
    • 31147-36-1
    • EINECS 250-486-5
    • 2,6-Octadiene, 1,1'-oxybis(3,7-dimethyl-, (2E,6E)-
    • 2,6-Octadiene, 1,1'-oxybis[3,7-dimethyl-, (2E,6E)-
    • 3011189T3J
    • FEMA NO. 4664
    • (2E,6E)-1,1'-OXYBIS[3,7-DIMETHYLOCTA-2,6-DIENE]
    • DTXSID80885493
    • 2,6-Octadiene, 1,1'-oxybis(3,7-dimethyl-, (E,E)-
    • ETHER, BIS(3,7-DIMETHYL-2,6-OCTADIENYL), (E,E)-
    • (2E,6E)-1,1'-Oxybis(3,7-dimethyl-2,6-octadiene)
    • (2E,6E)-1,1'-Oxybis(3,7-dimethylocta-2,6-diene)
    • (2E,6E)-1,1'-Oxybis[3,7-dimethyl-2,6-octadiene]
    • geranyl ether
    • UNII-3011189T3J
    • (E,E)-geranyl neryl ether
    • SCHEMBL492960
    • SCHEMBL492962
    • DTXCID40909826
    • XWRJRXQNOHXIOX-IWGRKNQJSA-N
    • NS00050664
    • 1,1"-oxybis(3,7-dimethyl-(2E)-octadiene)
    • (2E,6E)-1,1"-oxybis(3,7-dimethyl-2,6-octadiene)
    • Q27255887

  • Applications

    Digeranyl ether (CAS 31147-36-1) is a low-volatility terpene ether used mainly in fragrance formulation as an odorant and modifier/fixative with citrus–floral–woody nuances that enhances tenacity and rounds blends; it also serves as a hydrophobic carrier/solvent for aroma ingredients in fine fragrances, personal-care scents, and technical odorants; as an intermediate in organic synthesis to access terpenoid derivatives and isoprenoid-chain materials; and as a reference/model compound in studies of phase partitioning, logP, and environmental behavior of hydrophobic terpene-derived substances.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.29
    methanol 11.06
    isopropanol 31.01
    water 0.01
    ethyl acetate 191.77
    n-propanol 40.79
    acetone 64.01
    n-butanol 62.98
    acetonitrile 24.59
    DMF 32.99
    toluene 198.02
    isobutanol 37.92
    1,4-dioxane 270.65
    methyl acetate 85.71
    THF 495.72
    2-butanone 122.63
    n-pentanol 71.16
    sec-butanol 67.47
    n-hexane 224.46
    ethylene glycol 0.96
    NMP 96.8
    cyclohexane 326.12
    DMSO 48.44
    n-butyl acetate 276.88
    n-octanol 78.95
    chloroform 526.15
    n-propyl acetate 186.32
    acetic acid 27.55
    dichloromethane 381.21
    cyclohexanone 270.01
    propylene glycol 5.35
    isopropyl acetate 187.1
    DMAc 111.9
    2-ethoxyethanol 75.59
    isopentanol 75.5
    n-heptane 254.89
    ethyl formate 46.33
    1,2-dichloroethane 225.2
    n-hexanol 127.62
    2-methoxyethanol 48.83
    isobutyl acetate 169.52
    tetrachloromethane 119.34
    n-pentyl acetate 200.0
    transcutol 489.74
    n-heptanol 73.34
    ethylbenzene 193.1
    MIBK 142.23
    2-propoxyethanol 131.48
    tert-butanol 76.7
    MTBE 249.87
    2-butoxyethanol 112.01
    propionic acid 30.72
    o-xylene 164.43
    formic acid 3.01
    diethyl ether 276.7
    m-xylene 166.16
    p-xylene 220.89
    chlorobenzene 166.77
    dimethyl carbonate 21.82
    n-octane 71.01
    formamide 5.14
    cyclopentanone 189.58
    2-pentanone 149.37
    anisole 211.0
    cyclopentyl methyl ether 341.85
    gamma-butyrolactone 140.26
    1-methoxy-2-propanol 67.62
    pyridine 176.42
    3-pentanone 148.32
    furfural 121.55
    n-dodecane 31.84
    diethylene glycol 29.09
    diisopropyl ether 180.94
    tert-amyl alcohol 112.12
    acetylacetone 134.02
    n-hexadecane 37.81
    acetophenone 184.76
    methyl propionate 90.55
    isopentyl acetate 299.52
    trichloroethylene 372.12
    n-nonanol 94.59
    cyclohexanol 128.35
    benzyl alcohol 77.0
    2-ethylhexanol 178.28
    isooctanol 84.39
    dipropyl ether 452.25
    1,2-dichlorobenzene 190.58
    ethyl lactate 53.19
    propylene carbonate 109.71
    n-methylformamide 10.62
    2-pentanol 77.54
    n-pentane 106.84
    1-propoxy-2-propanol 175.45
    1-methoxy-2-propyl acetate 241.45
    2-(2-methoxypropoxy) propanol 181.73
    mesitylene 139.19
    ε-caprolactone 264.55
    p-cymene 166.17
    epichlorohydrin 255.75
    1,1,1-trichloroethane 343.07
    2-aminoethanol 5.81
    morpholine-4-carbaldehyde 132.13
    sulfolane 167.0
    2,2,4-trimethylpentane 82.66
    2-methyltetrahydrofuran 424.27
    n-hexyl acetate 237.91
    isooctane 53.75
    2-(2-butoxyethoxy)ethanol 195.42
    sec-butyl acetate 218.29
    tert-butyl acetate 260.56
    decalin 174.81
    glycerin 7.09
    diglyme 392.67
    acrylic acid 16.05
    isopropyl myristate 157.14
    n-butyric acid 91.75
    acetyl acetate 112.47
    di(2-ethylhexyl) phthalate 89.68
    ethyl propionate 187.15
    nitromethane 35.7
    1,2-diethoxyethane 424.81
    benzonitrile 82.88
    trioctyl phosphate 62.86
    1-bromopropane 267.38
    gamma-valerolactone 221.3
    n-decanol 71.03
    triethyl phosphate 161.68
    4-methyl-2-pentanol 68.94
    propionitrile 42.68
    vinylene carbonate 80.44
    1,1,2-trichlorotrifluoroethane 107.97
    DMS 107.26
    cumene 155.6
    2-octanol 69.27
    2-hexanone 191.64
    octyl acetate 152.28
    limonene 251.85
    1,2-dimethoxyethane 248.04
    ethyl orthosilicate 195.27
    tributyl phosphate 84.96
    diacetone alcohol 142.38
    N,N-dimethylaniline 174.19
    acrylonitrile 25.23
    aniline 85.52
    1,3-propanediol 17.13
    bromobenzene 223.47
    dibromomethane 315.45
    1,1,2,2-tetrachloroethane 396.68
    2-methyl-cyclohexyl acetate 314.21
    tetrabutyl urea 111.21
    diisobutyl methanol 141.94
    2-phenylethanol 115.12
    styrene 171.28
    dioctyl adipate 191.68
    dimethyl sulfate 31.71
    ethyl butyrate 329.77
    methyl lactate 24.18
    butyl lactate 100.3
    diethyl carbonate 179.54
    propanediol butyl ether 63.67
    triethyl orthoformate 311.11
    p-tert-butyltoluene 161.81
    methyl 4-tert-butylbenzoate 200.45
    morpholine 262.53
    tert-butylamine 84.4
    n-dodecanol 57.2
    dimethoxymethane 70.24
    ethylene carbonate 79.89
    cyrene 119.71
    2-ethoxyethyl acetate 212.64
    2-ethylhexyl acetate 296.45
    1,2,4-trichlorobenzene 209.44
    4-methylpyridine 200.15
    dibutyl ether 339.08
    2,6-dimethyl-4-heptanol 141.94
    DEF 146.64
    dimethyl isosorbide 360.88
    tetrachloroethylene 223.95
    eugenol 128.95
    triacetin 203.66
    span 80 167.35
    1,4-butanediol 8.84
    1,1-dichloroethane 231.18
    2-methyl-1-pentanol 96.92
    methyl formate 9.61
    2-methyl-1-butanol 74.25
    n-decane 68.3
    butyronitrile 75.53
    3,7-dimethyl-1-octanol 115.66
    1-chlorooctane 161.1
    1-chlorotetradecane 65.77
    n-nonane 71.37
    undecane 43.77
    tert-butylcyclohexane 150.64
    cyclooctane 158.7
    cyclopentanol 71.01
    tetrahydropyran 480.56
    tert-amyl methyl ether 262.13
    2,5,8-trioxanonane 263.66
    1-hexene 281.14
    2-isopropoxyethanol 89.71
    2,2,2-trifluoroethanol 9.64
    methyl butyrate 206.11

    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

Botanical

Name CAS Botanical Proportion
Rose (Egypt) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%