Ethanol, 2-(4-methylphenoxy)-1-(2-phenylethoxy)-

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  • Identifiers

    CAS number
    72987-59-8

    Molecular formula
    C17H20O3

    SMILES
    CC1=CC=C(C=C1)OCC(O)OCCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 79.68%
    Rose 69.31%
    Green 52.79%
    Honey 45.78%
    Hyacinth 45.25%
    Balsamic 42.09%
    Sweet 38.09%
    Leafy 33.5%
    Fresh 33.44%
    Geranium 32.35%

     

    Flavor
    Sweet 77.3%
    Floral 69.47%
    Rose 51.59%
    Balsam 45.07%
    Fruity 44.68%
    Honey 43.02%
    Hyacinth 39.34%
    Bitter 38.94%
    Green 36.76%
    Mild 32.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.19 (neutral)

    Molecular weight
    272.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 172.36 ˚C est.

  • Synonyms

    • 2-(4-Methylphenoxy)-1-(2-phenylethoxy)ethanol
    • 72987-59-8
    • EINECS 277-189-3
    • Ethanol, 2-(4-methylphenoxy)-1-(2-phenylethoxy)-
    • DTXSID40868222
    • 1-(2-Phenylethoxy)-2-(4-methylphenoxy)ethanol
    • SCHEMBL9957869
    • DTXCID50816350
    • DHQFANPUVQZDMT-UHFFFAOYSA-N
    • NS00058580
    • 1-(2-phenyl ethoxy)-2-(4-methyl phenoxy)ethanol
    • 277-189-3
    • Algix

  • Applications

    Ethanol, 2-(4-methylphenoxy)-1-(2-phenylethoxy)- (CAS 72987-59-8) is an aryl ether bearing two phenoxy substituents on an ethanol backbone, typically used as an intermediate and solvent in chemical synthesis. In perfumery and cosmetics, it may serve as a constituent for fragrance chemistry and can act as a solvent or fixative in formulations. It can be employed as a processing solvent or additive in coatings and inks, and in plastics and polymers formulations as a processing aid or solvent. It is also evaluated for use in cleaning formulations for industrial or household use, as well as a niche solvent or intermediate in broader industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 341.5
    methanol 571.29
    isopropanol 124.91
    water 0.64
    ethyl acetate 659.99
    n-propanol 209.25
    acetone 99.37
    n-butanol 161.33
    acetonitrile 283.59
    DMF 58.4
    toluene 87.13
    isobutanol 77.68
    1,4-dioxane 774.87
    methyl acetate 302.76
    THF 505.75
    2-butanone 149.15
    n-pentanol 104.26
    sec-butanol 103.37
    n-hexane 3.02
    ethylene glycol 76.63
    NMP 28.42
    cyclohexane 16.54
    DMSO 724.74
    n-butyl acetate 99.86
    n-octanol 24.09
    chloroform 652.26
    n-propyl acetate 127.11
    acetic acid 310.78
    dichloromethane 799.59
    cyclohexanone 121.74
    propylene glycol 124.52
    isopropyl acetate 174.99
    DMAc 179.69
    2-ethoxyethanol 415.12
    isopentanol 96.48
    n-heptane 7.06
    ethyl formate 146.44
    1,2-dichloroethane 638.93
    n-hexanol 79.35
    2-methoxyethanol 558.33
    isobutyl acetate 63.84
    tetrachloromethane 31.98
    n-pentyl acetate 41.43
    transcutol 985.17
    n-heptanol 29.4
    ethylbenzene 37.82
    MIBK 82.88
    2-propoxyethanol 220.4
    tert-butanol 171.57
    MTBE 132.67
    2-butoxyethanol 91.09
    propionic acid 162.92
    o-xylene 47.3
    formic acid 147.18
    diethyl ether 348.04
    m-xylene 42.88
    p-xylene 36.42
    chlorobenzene 106.85
    dimethyl carbonate 102.53
    n-octane 3.03
    formamide 273.42
    cyclopentanone 100.05
    2-pentanone 127.97
    anisole 121.14
    cyclopentyl methyl ether 124.65
    gamma-butyrolactone 195.59
    1-methoxy-2-propanol 297.31
    pyridine 296.64
    3-pentanone 120.76
    furfural 197.68
    n-dodecane 3.06
    diethylene glycol 224.59
    diisopropyl ether 41.06
    tert-amyl alcohol 109.55
    acetylacetone 239.82
    n-hexadecane 3.39
    acetophenone 91.87
    methyl propionate 240.76
    isopentyl acetate 84.25
    trichloroethylene 720.37
    n-nonanol 26.73
    cyclohexanol 89.99
    benzyl alcohol 95.67
    2-ethylhexanol 43.96
    isooctanol 24.95
    dipropyl ether 96.75
    1,2-dichlorobenzene 96.43
    ethyl lactate 60.22
    propylene carbonate 117.99
    n-methylformamide 89.1
    2-pentanol 84.91
    n-pentane 3.47
    1-propoxy-2-propanol 129.77
    1-methoxy-2-propyl acetate 145.42
    2-(2-methoxypropoxy) propanol 118.61
    mesitylene 25.08
    ε-caprolactone 136.23
    p-cymene 23.77
    epichlorohydrin 514.97
    1,1,1-trichloroethane 213.07
    2-aminoethanol 158.81
    morpholine-4-carbaldehyde 160.3
    sulfolane 187.67
    2,2,4-trimethylpentane 4.16
    2-methyltetrahydrofuran 191.9
    n-hexyl acetate 53.77
    isooctane 3.05
    2-(2-butoxyethoxy)ethanol 179.04
    sec-butyl acetate 80.05
    tert-butyl acetate 135.66
    decalin 7.58
    glycerin 162.92
    diglyme 417.21
    acrylic acid 134.01
    isopropyl myristate 30.61
    n-butyric acid 234.91
    acetyl acetate 254.35
    di(2-ethylhexyl) phthalate 32.71
    ethyl propionate 128.69
    nitromethane 552.8
    1,2-diethoxyethane 258.88
    benzonitrile 78.96
    trioctyl phosphate 20.77
    1-bromopropane 181.72
    gamma-valerolactone 195.22
    n-decanol 21.49
    triethyl phosphate 52.98
    4-methyl-2-pentanol 41.74
    propionitrile 162.05
    vinylene carbonate 118.73
    1,1,2-trichlorotrifluoroethane 269.48
    DMS 88.11
    cumene 23.93
    2-octanol 15.01
    2-hexanone 79.49
    octyl acetate 34.38
    limonene 32.99
    1,2-dimethoxyethane 508.21
    ethyl orthosilicate 53.75
    tributyl phosphate 29.32
    diacetone alcohol 140.73
    N,N-dimethylaniline 60.44
    acrylonitrile 173.38
    aniline 118.69
    1,3-propanediol 265.51
    bromobenzene 114.7
    dibromomethane 403.47
    1,1,2,2-tetrachloroethane 583.8
    2-methyl-cyclohexyl acetate 67.77
    tetrabutyl urea 36.27
    diisobutyl methanol 31.11
    2-phenylethanol 76.27
    styrene 52.47
    dioctyl adipate 56.97
    dimethyl sulfate 120.33
    ethyl butyrate 97.46
    methyl lactate 93.98
    butyl lactate 41.83
    diethyl carbonate 83.0
    propanediol butyl ether 69.86
    triethyl orthoformate 81.33
    p-tert-butyltoluene 23.16
    methyl 4-tert-butylbenzoate 77.41
    morpholine 653.39
    tert-butylamine 71.67
    n-dodecanol 18.15
    dimethoxymethane 305.02
    ethylene carbonate 115.07
    cyrene 84.35
    2-ethoxyethyl acetate 113.63
    2-ethylhexyl acetate 59.45
    1,2,4-trichlorobenzene 113.1
    4-methylpyridine 119.0
    dibutyl ether 53.89
    2,6-dimethyl-4-heptanol 31.11
    DEF 121.48
    dimethyl isosorbide 194.09
    tetrachloroethylene 321.92
    eugenol 78.98
    triacetin 103.55
    span 80 73.38
    1,4-butanediol 93.33
    1,1-dichloroethane 299.7
    2-methyl-1-pentanol 78.1
    methyl formate 85.51
    2-methyl-1-butanol 75.89
    n-decane 4.71
    butyronitrile 127.8
    3,7-dimethyl-1-octanol 32.18
    1-chlorooctane 20.57
    1-chlorotetradecane 10.03
    n-nonane 3.96
    undecane 3.62
    tert-butylcyclohexane 5.84
    cyclooctane 5.3
    cyclopentanol 61.1
    tetrahydropyran 431.02
    tert-amyl methyl ether 86.77
    2,5,8-trioxanonane 301.79
    1-hexene 21.19
    2-isopropoxyethanol 190.43
    2,2,2-trifluoroethanol 89.77
    methyl butyrate 130.52

    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