1,1-Digeranyloxy-2-phenylethane

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  • Identifiers

    CAS number
    7149-23-7

    Molecular formula
    C28H42O2

    SMILES
    CC(=CCC/C(=C/COC(OC/C=C(/CCC=C(C)C)\C)CC1=CC=CC=C1)/C)C

  • Odor profile

    Fragrance
    Floral 85.25%
    Rose 66.11%
    Green 56.04%
    Sweet 54.39%
    Balsamic 46.67%
    Fresh 44.93%
    Lily 43.91%
    Muguet 42.6%
    Waxy 41.9%
    Tropical 41.13%

     

    Flavor
    Floral 64.51%
    Green 52.24%
    Rose 47.81%
    Waxy 47.44%
    Sweet 41.42%
    Bitter 35.46%
    Herbal 34.2%
    Fresh 33.59%
    Balsam 33.39%
    Geranium 32.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    7.38 (neutral)

    Molecular weight
    410.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    442°C

    Flash point

    • 177.4 ˚C est.

  • Synonyms

    • 1,1-Digeranyloxy-2-phenylethane
    • 7149-23-7
    • Benzene, (2,2-bis(((2E)-3,7-dimethyl-2,6-octadienyl)oxy)ethyl)-
    • Benzene, [2,2-bis[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]ethyl]-
    • Benzene, (2,2-bis(((2E)-3,7-dimethyl-2,6-octadien-1-yl)oxy)ethyl)-
    • Phenylacetaldehyde digeranyl acetal
    • Benzene, [2,2-bis[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]ethyl]-
    • NSC72020
    • EINECS 230-469-9
    • EINECS 266-805-6
    • SCHEMBL3275029
    • DTXSID50884357
    • KJTMVMCIPAJMOH-XUWUHCBVSA-N
    • Benzene, (2,2-bis((3,7-dimethyl-2,6-octadien-1-yl)oxy)ethyl)-
    • NSC-72020
    • NS00013130
    • Acetaldehyde,phenyl:bis(3,7-dimethyl-2,6-octadienyl)acetal
    • Benzene, (2,2-bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)-, (all-E)-

  • Applications

    1,1-Digeranyloxy-2-phenylethane (CAS 7149-23-7) is primarily used as a fragrance ingredient and may act as a fixative to help stabilize and extend fragrance notes in perfumery; it is also used as a fragrance component in cosmetics and personal care products (creams, lotions, and bath products); in household products such as air fresheners and cleaners to impart scent; as a fragrance additive in coatings and inks; and may be used as a fragrance chemical or intermediate in the synthesis of fragrances for polymers/plastics and related industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.7
    methanol 6.29
    isopropanol 9.81
    water 0.02
    ethyl acetate 159.27
    n-propanol 18.36
    acetone 47.64
    n-butanol 27.58
    acetonitrile 15.79
    DMF 24.11
    toluene 141.89
    isobutanol 17.67
    1,4-dioxane 127.95
    methyl acetate 66.38
    THF 298.5
    2-butanone 98.64
    n-pentanol 37.61
    sec-butanol 27.65
    n-hexane 61.74
    ethylene glycol 0.34
    NMP 79.51
    cyclohexane 77.44
    DMSO 41.81
    n-butyl acetate 156.37
    n-octanol 30.05
    chloroform 613.14
    n-propyl acetate 146.76
    acetic acid 25.01
    dichloromethane 532.71
    cyclohexanone 200.65
    propylene glycol 1.65
    isopropyl acetate 133.45
    DMAc 118.95
    2-ethoxyethanol 46.34
    isopentanol 34.05
    n-heptane 53.56
    ethyl formate 34.47
    1,2-dichloroethane 264.27
    n-hexanol 41.18
    2-methoxyethanol 23.35
    isobutyl acetate 117.93
    tetrachloromethane 91.37
    n-pentyl acetate 152.18
    transcutol 303.2
    n-heptanol 35.13
    ethylbenzene 125.06
    MIBK 97.36
    2-propoxyethanol 63.67
    tert-butanol 23.54
    MTBE 116.07
    2-butoxyethanol 70.78
    propionic acid 24.18
    o-xylene 99.96
    formic acid 3.22
    diethyl ether 142.53
    m-xylene 104.52
    p-xylene 141.76
    chlorobenzene 153.84
    dimethyl carbonate 26.55
    n-octane 17.25
    formamide 5.71
    cyclopentanone 146.9
    2-pentanone 115.11
    anisole 160.91
    cyclopentyl methyl ether 208.18
    gamma-butyrolactone 132.94
    1-methoxy-2-propanol 30.87
    pyridine 123.2
    3-pentanone 130.39
    furfural 102.26
    n-dodecane 8.18
    diethylene glycol 12.12
    diisopropyl ether 73.17
    tert-amyl alcohol 47.94
    acetylacetone 131.47
    n-hexadecane 9.84
    acetophenone 143.95
    methyl propionate 83.91
    isopentyl acetate 179.78
    trichloroethylene 473.79
    n-nonanol 39.61
    cyclohexanol 48.73
    benzyl alcohol 50.08
    2-ethylhexanol 65.61
    isooctanol 41.82
    dipropyl ether 205.17
    1,2-dichlorobenzene 176.99
    ethyl lactate 33.34
    propylene carbonate 95.76
    n-methylformamide 9.03
    2-pentanol 30.49
    n-pentane 25.5
    1-propoxy-2-propanol 78.21
    1-methoxy-2-propyl acetate 155.18
    2-(2-methoxypropoxy) propanol 106.02
    mesitylene 71.9
    ε-caprolactone 211.09
    p-cymene 78.19
    epichlorohydrin 259.52
    1,1,1-trichloroethane 339.85
    2-aminoethanol 2.41
    morpholine-4-carbaldehyde 89.19
    sulfolane 144.6
    2,2,4-trimethylpentane 28.56
    2-methyltetrahydrofuran 254.8
    n-hexyl acetate 145.0
    isooctane 14.8
    2-(2-butoxyethoxy)ethanol 113.48
    sec-butyl acetate 157.47
    tert-butyl acetate 171.05
    decalin 63.73
    glycerin 2.71
    diglyme 275.45
    acrylic acid 14.74
    isopropyl myristate 78.24
    n-butyric acid 68.09
    acetyl acetate 106.43
    di(2-ethylhexyl) phthalate 56.88
    ethyl propionate 156.25
    nitromethane 47.13
    1,2-diethoxyethane 230.11
    benzonitrile 49.46
    trioctyl phosphate 33.18
    1-bromopropane 254.16
    gamma-valerolactone 180.9
    n-decanol 26.95
    triethyl phosphate 103.84
    4-methyl-2-pentanol 29.8
    propionitrile 25.09
    vinylene carbonate 75.88
    1,1,2-trichlorotrifluoroethane 97.99
    DMS 74.59
    cumene 90.71
    2-octanol 27.37
    2-hexanone 148.93
    octyl acetate 82.31
    limonene 117.12
    1,2-dimethoxyethane 151.36
    ethyl orthosilicate 125.76
    tributyl phosphate 46.71
    diacetone alcohol 83.46
    N,N-dimethylaniline 125.18
    acrylonitrile 19.42
    aniline 56.16
    1,3-propanediol 7.25
    bromobenzene 223.28
    dibromomethane 386.79
    1,1,2,2-tetrachloroethane 422.89
    2-methyl-cyclohexyl acetate 187.19
    tetrabutyl urea 66.22
    diisobutyl methanol 52.99
    2-phenylethanol 61.77
    styrene 117.62
    dioctyl adipate 118.52
    dimethyl sulfate 39.45
    ethyl butyrate 205.48
    methyl lactate 17.75
    butyl lactate 66.42
    diethyl carbonate 114.59
    propanediol butyl ether 31.24
    triethyl orthoformate 188.9
    p-tert-butyltoluene 71.56
    methyl 4-tert-butylbenzoate 143.36
    morpholine 120.7
    tert-butylamine 22.69
    n-dodecanol 20.47
    dimethoxymethane 57.87
    ethylene carbonate 70.8
    cyrene 83.77
    2-ethoxyethyl acetate 173.23
    2-ethylhexyl acetate 176.58
    1,2,4-trichlorobenzene 198.04
    4-methylpyridine 141.2
    dibutyl ether 148.43
    2,6-dimethyl-4-heptanol 52.99
    DEF 111.47
    dimethyl isosorbide 245.07
    tetrachloroethylene 231.96
    eugenol 91.93
    triacetin 145.45
    span 80 90.28
    1,4-butanediol 4.08
    1,1-dichloroethane 217.54
    2-methyl-1-pentanol 61.89
    methyl formate 8.9
    2-methyl-1-butanol 37.05
    n-decane 19.45
    butyronitrile 39.97
    3,7-dimethyl-1-octanol 46.78
    1-chlorooctane 71.94
    1-chlorotetradecane 24.69
    n-nonane 17.99
    undecane 11.57
    tert-butylcyclohexane 51.22
    cyclooctane 38.02
    cyclopentanol 31.35
    tetrahydropyran 237.32
    tert-amyl methyl ether 151.98
    2,5,8-trioxanonane 184.38
    1-hexene 119.41
    2-isopropoxyethanol 53.36
    2,2,2-trifluoroethanol 9.81
    methyl butyrate 166.6

    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