Benzene, 1-ethoxy-4-methyl-

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  • Identifiers

    CAS number
    622-60-6

    Molecular formula
    C9H12O

    SMILES
    CCOC1=CC=C(C=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.77%
    Sweet 68.76%
    Anisic 58.98%
    Phenolic 49.7%
    Nutty 46.95%
    Aromatic 36.22%
    Earthy 34.8%
    Powdery 33.28%
    Animal 32.48%
    Hay 31.27%

     

    Flavor
    Sweet 61.17%
    Phenolic 44.17%
    Floral 41.81%
    Anise 40.99%
    Nutty 40.12%
    Fruity 38.42%
    Powdery 38.21%
    Vanilla 34.28%
    Spicy 31.51%
    Flower 30.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.45 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 60.29 ˚C est.

  • Synonyms

    • 4-Methylphenetole
    • 622-60-6
    • 1-Ethoxy-4-methylbenzene
    • p-Ethoxytoluene
    • Ethyl p-tolyl ether
    • p-Methylphenetole
    • Phenetole, p-methyl-
    • Benzene, 1-ethoxy-4-methyl-
    • 4-Ethoxytoluene
    • NSC 6259
    • EINECS 210-746-0
    • AI3-24341
    • DTXSID7060756
    • METHYL-P-ETHYLPHENYL ETHER
    • p-Ethoxy toluene
    • 4-ethoxy-toluene
    • NSC6259
    • p-cresyl ethyl ether
    • para-cresyl ethyl ether
    • PARA-METHYLPHENETOLE
    • 1-ethoxy-4-methyl-benzene
    • SCHEMBL92159
    • Phenetole, p-methyl-(8CI)
    • DTXCID9043271
    • AAA62260
    • NSC-6259
    • AKOS006243090
    • NS00034985
    • EN300-61852
    • Q63395681
    • Z53834228
    • 210-746-0

  • Applications

    Benzene, 1-ethoxy-4-methyl- (CAS 622-60-6) is primarily used as an intermediate in organic synthesis to access downstream aromatic compounds. In the fragrance and perfumery sector, it serves as a building block for aroma chemicals and may be a precursor to other anisole-like derivatives. In cosmetics and personal care, it may be used as an aroma-chemical precursor for fragrance formulations. In industrial manufacturing, it can function as a specialty chemical intermediate and, in some processes, as a processing aid or solvent. In polymers and plastics, it may serve as a precursor to aromatic intermediates used in polymer production. In coatings and inks, it may be employed as a processing additive or precursor to chemical components used in formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1175.32
    methanol 975.07
    isopropanol 829.61
    water 1.96
    ethyl acetate 823.46
    n-propanol 948.13
    acetone 528.65
    n-butanol 958.96
    acetonitrile 764.85
    DMF 500.39
    toluene 561.3
    isobutanol 646.84
    1,4-dioxane 1955.65
    methyl acetate 704.52
    THF 1072.85
    2-butanone 571.32
    n-pentanol 687.97
    sec-butanol 748.0
    n-hexane 418.35
    ethylene glycol 295.44
    NMP 366.01
    cyclohexane 499.49
    DMSO 635.53
    n-butyl acetate 690.24
    n-octanol 342.12
    chloroform 3033.14
    n-propyl acetate 409.54
    acetic acid 682.22
    dichloromethane 2189.91
    cyclohexanone 684.19
    propylene glycol 357.13
    isopropyl acetate 358.33
    DMAc 506.49
    2-ethoxyethanol 764.6
    isopentanol 711.56
    n-heptane 248.99
    ethyl formate 383.89
    1,2-dichloroethane 1196.49
    n-hexanol 956.04
    2-methoxyethanol 952.25
    isobutyl acetate 268.47
    tetrachloromethane 572.52
    n-pentyl acetate 294.89
    transcutol 1714.85
    n-heptanol 299.11
    ethylbenzene 281.68
    MIBK 259.52
    2-propoxyethanol 1003.16
    tert-butanol 996.25
    MTBE 916.23
    2-butoxyethanol 411.73
    propionic acid 551.89
    o-xylene 284.95
    formic acid 201.23
    diethyl ether 1323.98
    m-xylene 269.5
    p-xylene 305.84
    chlorobenzene 594.89
    dimethyl carbonate 179.08
    n-octane 80.78
    formamide 239.32
    cyclopentanone 471.83
    2-pentanone 410.26
    anisole 511.75
    cyclopentyl methyl ether 590.23
    gamma-butyrolactone 519.94
    1-methoxy-2-propanol 620.3
    pyridine 1095.0
    3-pentanone 401.94
    furfural 578.25
    n-dodecane 61.44
    diethylene glycol 664.08
    diisopropyl ether 282.98
    tert-amyl alcohol 798.43
    acetylacetone 362.46
    n-hexadecane 67.23
    acetophenone 337.95
    methyl propionate 472.69
    isopentyl acetate 498.36
    trichloroethylene 1800.83
    n-nonanol 293.36
    cyclohexanol 742.99
    benzyl alcohol 396.42
    2-ethylhexanol 481.28
    isooctanol 224.73
    dipropyl ether 661.38
    1,2-dichlorobenzene 481.02
    ethyl lactate 202.27
    propylene carbonate 365.1
    n-methylformamide 285.19
    2-pentanol 590.03
    n-pentane 320.76
    1-propoxy-2-propanol 613.33
    1-methoxy-2-propyl acetate 455.77
    2-(2-methoxypropoxy) propanol 402.21
    mesitylene 172.1
    ε-caprolactone 652.61
    p-cymene 178.85
    epichlorohydrin 938.38
    1,1,1-trichloroethane 1236.27
    2-aminoethanol 510.47
    morpholine-4-carbaldehyde 667.97
    sulfolane 531.37
    2,2,4-trimethylpentane 108.9
    2-methyltetrahydrofuran 995.77
    n-hexyl acetate 453.25
    isooctane 80.84
    2-(2-butoxyethoxy)ethanol 547.58
    sec-butyl acetate 279.21
    tert-butyl acetate 359.91
    decalin 160.88
    glycerin 396.05
    diglyme 947.96
    acrylic acid 402.86
    isopropyl myristate 191.5
    n-butyric acid 722.59
    acetyl acetate 410.07
    di(2-ethylhexyl) phthalate 175.48
    ethyl propionate 361.04
    nitromethane 588.07
    1,2-diethoxyethane 879.94
    benzonitrile 468.34
    trioctyl phosphate 120.65
    1-bromopropane 1029.32
    gamma-valerolactone 684.89
    n-decanol 222.22
    triethyl phosphate 187.9
    4-methyl-2-pentanol 283.7
    propionitrile 652.93
    vinylene carbonate 401.77
    1,1,2-trichlorotrifluoroethane 706.92
    DMS 314.59
    cumene 187.28
    2-octanol 202.06
    2-hexanone 413.88
    octyl acetate 237.64
    limonene 289.16
    1,2-dimethoxyethane 1092.5
    ethyl orthosilicate 204.0
    tributyl phosphate 161.91
    diacetone alcohol 344.37
    N,N-dimethylaniline 309.94
    acrylonitrile 569.82
    aniline 564.71
    1,3-propanediol 616.51
    bromobenzene 684.63
    dibromomethane 1658.27
    1,1,2,2-tetrachloroethane 1649.03
    2-methyl-cyclohexyl acetate 295.23
    tetrabutyl urea 191.69
    diisobutyl methanol 225.64
    2-phenylethanol 414.7
    styrene 388.43
    dioctyl adipate 245.11
    dimethyl sulfate 213.59
    ethyl butyrate 434.22
    methyl lactate 197.71
    butyl lactate 209.84
    diethyl carbonate 296.93
    propanediol butyl ether 340.24
    triethyl orthoformate 306.45
    p-tert-butyltoluene 175.12
    methyl 4-tert-butylbenzoate 279.0
    morpholine 1775.46
    tert-butylamine 779.84
    n-dodecanol 177.17
    dimethoxymethane 476.7
    ethylene carbonate 372.25
    cyrene 271.18
    2-ethoxyethyl acetate 403.29
    2-ethylhexyl acetate 425.64
    1,2,4-trichlorobenzene 534.94
    4-methylpyridine 879.94
    dibutyl ether 468.03
    2,6-dimethyl-4-heptanol 225.64
    DEF 509.16
    dimethyl isosorbide 501.68
    tetrachloroethylene 1095.42
    eugenol 297.69
    triacetin 371.24
    span 80 366.21
    1,4-butanediol 299.51
    1,1-dichloroethane 1322.89
    2-methyl-1-pentanol 562.24
    methyl formate 219.44
    2-methyl-1-butanol 692.18
    n-decane 95.88
    butyronitrile 728.57
    3,7-dimethyl-1-octanol 321.72
    1-chlorooctane 286.91
    1-chlorotetradecane 121.34
    n-nonane 103.44
    undecane 73.53
    tert-butylcyclohexane 144.91
    cyclooctane 155.04
    cyclopentanol 514.27
    tetrahydropyran 1708.31
    tert-amyl methyl ether 574.19
    2,5,8-trioxanonane 669.22
    1-hexene 801.52
    2-isopropoxyethanol 508.33
    2,2,2-trifluoroethanol 187.34
    methyl butyrate 426.71

    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