1-(1-Ethoxyethoxy)-4-methylbenzene

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  • Identifiers

    Molecular formula
    C11H16O2

    SMILES
    CCOC(C)OC1=CC=C(C=C1)C

  • Odor profile

    Green 82.33%
    Floral 77.86%
    Sweet 45.23%
    Fresh 45.01%
    Herbal 44.95%
    Leafy 40.22%
    Hyacinth 39.62%
    Spicy 39.1%
    Anisic 36.01%
    Cortex 35.79%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.33 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    86.04 ˚C

  • Synonyms

    • SCHEMBL14009524

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1137.26
    methanol 1095.53
    isopropanol 720.63
    water 2.64
    ethyl acetate 658.12
    n-propanol 792.5
    acetone 591.76
    n-butanol 856.74
    acetonitrile 609.63
    DMF 598.24
    toluene 374.52
    isobutanol 576.09
    1,4-dioxane 1648.62
    methyl acetate 553.57
    THF 1128.86
    2-butanone 505.39
    n-pentanol 623.17
    sec-butanol 678.26
    n-hexane 315.47
    ethylene glycol 245.09
    NMP 485.18
    cyclohexane 375.81
    DMSO 866.83
    n-butyl acetate 556.77
    n-octanol 261.12
    chloroform 2688.59
    n-propyl acetate 361.22
    acetic acid 833.4
    dichloromethane 2062.04
    cyclohexanone 731.41
    propylene glycol 326.13
    isopropyl acetate 367.94
    DMAc 758.89
    2-ethoxyethanol 728.6
    isopentanol 667.74
    n-heptane 117.49
    ethyl formate 312.18
    1,2-dichloroethane 1132.3
    n-hexanol 673.45
    2-methoxyethanol 946.6
    isobutyl acetate 268.72
    tetrachloromethane 387.6
    n-pentyl acetate 269.3
    transcutol 1720.97
    n-heptanol 210.85
    ethylbenzene 221.35
    MIBK 269.74
    2-propoxyethanol 808.96
    tert-butanol 936.99
    MTBE 829.09
    2-butoxyethanol 334.43
    propionic acid 501.89
    o-xylene 225.98
    formic acid 265.91
    diethyl ether 1053.58
    m-xylene 223.02
    p-xylene 281.11
    chlorobenzene 490.28
    dimethyl carbonate 189.02
    n-octane 43.49
    formamide 293.21
    cyclopentanone 517.18
    2-pentanone 399.92
    anisole 416.57
    cyclopentyl methyl ether 573.45
    gamma-butyrolactone 588.3
    1-methoxy-2-propanol 615.84
    pyridine 850.15
    3-pentanone 372.34
    furfural 593.07
    n-dodecane 37.24
    diethylene glycol 564.89
    diisopropyl ether 241.77
    tert-amyl alcohol 756.34
    acetylacetone 436.5
    n-hexadecane 41.86
    acetophenone 323.02
    methyl propionate 398.83
    isopentyl acetate 476.81
    trichloroethylene 1675.92
    n-nonanol 232.79
    cyclohexanol 735.37
    benzyl alcohol 349.88
    2-ethylhexanol 355.85
    isooctanol 164.52
    dipropyl ether 432.56
    1,2-dichlorobenzene 453.22
    ethyl lactate 188.7
    propylene carbonate 416.06
    n-methylformamide 298.29
    2-pentanol 532.96
    n-pentane 198.43
    1-propoxy-2-propanol 512.07
    1-methoxy-2-propyl acetate 440.64
    2-(2-methoxypropoxy) propanol 386.56
    mesitylene 148.63
    ε-caprolactone 652.98
    p-cymene 135.86
    epichlorohydrin 864.43
    1,1,1-trichloroethane 1033.4
    2-aminoethanol 470.32
    morpholine-4-carbaldehyde 718.9
    sulfolane 702.88
    2,2,4-trimethylpentane 89.74
    2-methyltetrahydrofuran 944.87
    n-hexyl acetate 414.12
    isooctane 53.2
    2-(2-butoxyethoxy)ethanol 524.21
    sec-butyl acetate 264.75
    tert-butyl acetate 379.92
    decalin 137.64
    glycerin 389.7
    diglyme 883.91
    acrylic acid 395.01
    isopropyl myristate 177.83
    n-butyric acid 717.03
    acetyl acetate 449.69
    di(2-ethylhexyl) phthalate 171.72
    ethyl propionate 310.44
    nitromethane 683.0
    1,2-diethoxyethane 728.96
    benzonitrile 403.5
    trioctyl phosphate 116.63
    1-bromopropane 855.99
    gamma-valerolactone 736.78
    n-decanol 174.87
    triethyl phosphate 187.29
    4-methyl-2-pentanol 265.13
    propionitrile 483.35
    vinylene carbonate 415.53
    1,1,2-trichlorotrifluoroethane 752.16
    DMS 339.05
    cumene 155.78
    2-octanol 155.83
    2-hexanone 371.1
    octyl acetate 216.38
    limonene 220.28
    1,2-dimethoxyethane 1045.94
    ethyl orthosilicate 196.27
    tributyl phosphate 171.75
    diacetone alcohol 375.79
    N,N-dimethylaniline 281.14
    acrylonitrile 439.95
    aniline 480.9
    1,3-propanediol 624.57
    bromobenzene 577.92
    dibromomethane 1467.29
    1,1,2,2-tetrachloroethane 1707.06
    2-methyl-cyclohexyl acetate 295.58
    tetrabutyl urea 199.5
    diisobutyl methanol 171.87
    2-phenylethanol 350.9
    styrene 286.86
    dioctyl adipate 254.4
    dimethyl sulfate 274.56
    ethyl butyrate 346.32
    methyl lactate 205.3
    butyl lactate 212.2
    diethyl carbonate 262.64
    propanediol butyl ether 329.51
    triethyl orthoformate 266.38
    p-tert-butyltoluene 136.55
    methyl 4-tert-butylbenzoate 268.71
    morpholine 1544.31
    tert-butylamine 665.24
    n-dodecanol 138.72
    dimethoxymethane 517.16
    ethylene carbonate 384.87
    cyrene 299.36
    2-ethoxyethyl acetate 373.58
    2-ethylhexyl acetate 393.6
    1,2,4-trichlorobenzene 519.72
    4-methylpyridine 718.34
    dibutyl ether 376.21
    2,6-dimethyl-4-heptanol 171.87
    DEF 515.62
    dimethyl isosorbide 504.41
    tetrachloroethylene 1086.83
    eugenol 278.95
    triacetin 374.08
    span 80 346.64
    1,4-butanediol 297.29
    1,1-dichloroethane 1088.54
    2-methyl-1-pentanol 535.54
    methyl formate 214.1
    2-methyl-1-butanol 658.45
    n-decane 61.31
    butyronitrile 564.39
    3,7-dimethyl-1-octanol 259.74
    1-chlorooctane 201.32
    1-chlorotetradecane 89.24
    n-nonane 62.81
    undecane 45.63
    tert-butylcyclohexane 121.24
    cyclooctane 104.72
    cyclopentanol 508.44
    tetrahydropyran 1330.0
    tert-amyl methyl ether 571.33
    2,5,8-trioxanonane 635.97
    1-hexene 613.0
    2-isopropoxyethanol 458.0
    2,2,2-trifluoroethanol 252.24
    methyl butyrate 385.88

    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