Benzene, 1-chloro-4-ethoxy-

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  • Identifiers

    CAS number
    622-61-7

    Molecular formula
    C8H9ClO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.9%
    Floral 67.95%
    Phenolic 53.48%
    Anisic 51.81%
    Animal 39.07%
    Powdery 37.09%
    Aromatic 37.07%
    Nutty 35.29%
    Vanilla 34.96%
    Hawthorn 33.61%

     

    Flavor
    Sweet 77.22%
    Floral 57.19%
    Phenolic 49.92%
    Spicy 43.88%
    Powdery 42.77%
    Fruity 41.86%
    Vanilla 37.7%
    Bitter 36.81%
    Anise 32.91%
    Flower 32.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.33 (neutral)

    Molecular weight
    156.61 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    216°C

    Flash point

    • 87.45 ˚C est.

  • Synonyms

    • 1-Chloro-4-ethoxybenzene
    • 4-Chlorophenetole
    • 622-61-7
    • Benzene, 1-chloro-4-ethoxy-
    • p-Chlorophenetole
    • p-Chlorophenyl ethyl ether
    • Phenetole, p-chloro-
    • 4-Chlorophenol ethyl ether
    • NSC 6161
    • EINECS 210-747-6
    • 1-chloro-4-ethoxy-benzene
    • DTXSID2060757
    • Chlorophenentole; 99%
    • 4-Chlorophenetole?
    • p-Ethoxychlorobenzene
    • MFCD00058931
    • 4-ethoxyphenyl chloride
    • Phenetole, p-chloro-(8CI)
    • SCHEMBL156543
    • DTXCID4043272
    • IXLSVQMYQRAMEW-UHFFFAOYSA-
    • NSC6161
    • AAA62261
    • NSC-6161
    • STL581914
    • AKOS000269030
    • AS-58232
    • CS-0454329
    • NS00034986
    • D89219
    • EN300-1233885
    • InChI=1/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
    • 210-747-6

  • Applications

    Benzene, 1-chloro-4-ethoxy-, CAS 622-61-7 is primarily used as an organic synthesis intermediate in industrial manufacturing, serving as a building block in palladium-catalyzed cross-coupling to access biaryl compounds. Its derivatives find use in the production of pharmaceutical intermediates and as precursors for dye-related components used in coatings and inks, as well as in polymer and plastics development. The compound can also serve in the synthesis of specialty electronics-related materials where aryl-aryl linkages are desirable, making it a versatile building block across multiple sectors, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.09
    methanol 136.85
    isopropanol 146.63
    water 1.71
    ethyl acetate 400.57
    n-propanol 161.61
    acetone 666.87
    n-butanol 165.25
    acetonitrile 490.96
    DMF 655.5
    toluene 300.77
    isobutanol 144.22
    1,4-dioxane 815.27
    methyl acetate 501.02
    THF 769.82
    2-butanone 592.25
    n-pentanol 156.2
    sec-butanol 172.23
    n-hexane 75.62
    ethylene glycol 67.73
    NMP 827.26
    cyclohexane 108.94
    DMSO 1033.68
    n-butyl acetate 361.96
    n-octanol 75.26
    chloroform 1533.26
    n-propyl acetate 309.93
    acetic acid 333.2
    dichloromethane 1537.2
    cyclohexanone 635.03
    propylene glycol 64.52
    isopropyl acetate 251.83
    DMAc 865.03
    2-ethoxyethanol 331.6
    isopentanol 171.77
    n-heptane 44.06
    ethyl formate 231.67
    1,2-dichloroethane 934.6
    n-hexanol 146.99
    2-methoxyethanol 382.7
    isobutyl acetate 196.26
    tetrachloromethane 333.87
    n-pentyl acetate 183.92
    transcutol 1362.74
    n-heptanol 69.86
    ethylbenzene 181.12
    MIBK 227.29
    2-propoxyethanol 321.28
    tert-butanol 252.3
    MTBE 412.99
    2-butoxyethanol 170.06
    propionic acid 218.66
    o-xylene 213.89
    formic acid 120.89
    diethyl ether 409.0
    m-xylene 176.11
    p-xylene 245.03
    chlorobenzene 488.85
    dimethyl carbonate 220.76
    n-octane 15.59
    formamide 232.17
    cyclopentanone 734.27
    2-pentanone 363.8
    anisole 490.41
    cyclopentyl methyl ether 389.7
    gamma-butyrolactone 748.52
    1-methoxy-2-propanol 259.66
    pyridine 675.55
    3-pentanone 396.73
    furfural 856.06
    n-dodecane 12.5
    diethylene glycol 260.11
    diisopropyl ether 136.27
    tert-amyl alcohol 251.5
    acetylacetone 557.9
    n-hexadecane 14.54
    acetophenone 452.23
    methyl propionate 313.14
    isopentyl acetate 324.51
    trichloroethylene 1942.46
    n-nonanol 72.62
    cyclohexanol 204.05
    benzyl alcohol 246.78
    2-ethylhexanol 129.48
    isooctanol 68.62
    dipropyl ether 219.36
    1,2-dichlorobenzene 518.92
    ethyl lactate 138.34
    propylene carbonate 401.74
    n-methylformamide 262.66
    2-pentanol 129.23
    n-pentane 54.57
    1-propoxy-2-propanol 230.4
    1-methoxy-2-propyl acetate 370.2
    2-(2-methoxypropoxy) propanol 311.31
    mesitylene 129.82
    ε-caprolactone 506.44
    p-cymene 115.4
    epichlorohydrin 1023.02
    1,1,1-trichloroethane 1000.43
    2-aminoethanol 99.82
    morpholine-4-carbaldehyde 873.92
    sulfolane 972.67
    2,2,4-trimethylpentane 45.72
    2-methyltetrahydrofuran 650.47
    n-hexyl acetate 248.25
    isooctane 26.02
    2-(2-butoxyethoxy)ethanol 337.82
    sec-butyl acetate 235.85
    tert-butyl acetate 325.35
    decalin 67.73
    glycerin 122.55
    diglyme 808.7
    acrylic acid 248.99
    isopropyl myristate 117.84
    n-butyric acid 239.49
    acetyl acetate 384.4
    di(2-ethylhexyl) phthalate 129.41
    ethyl propionate 286.47
    nitromethane 846.15
    1,2-diethoxyethane 492.44
    benzonitrile 392.6
    trioctyl phosphate 74.12
    1-bromopropane 471.66
    gamma-valerolactone 865.58
    n-decanol 55.37
    triethyl phosphate 197.88
    4-methyl-2-pentanol 89.27
    propionitrile 311.25
    vinylene carbonate 398.61
    1,1,2-trichlorotrifluoroethane 691.62
    DMS 371.69
    cumene 128.04
    2-octanol 54.69
    2-hexanone 348.73
    octyl acetate 134.51
    limonene 169.13
    1,2-dimethoxyethane 740.96
    ethyl orthosilicate 186.36
    tributyl phosphate 126.27
    diacetone alcohol 278.02
    N,N-dimethylaniline 320.94
    acrylonitrile 405.49
    aniline 309.55
    1,3-propanediol 153.94
    bromobenzene 609.22
    dibromomethane 954.5
    1,1,2,2-tetrachloroethane 1347.95
    2-methyl-cyclohexyl acetate 265.02
    tetrabutyl urea 167.17
    diisobutyl methanol 87.16
    2-phenylethanol 218.87
    styrene 267.69
    dioctyl adipate 208.26
    dimethyl sulfate 439.74
    ethyl butyrate 290.86
    methyl lactate 146.98
    butyl lactate 142.27
    diethyl carbonate 263.24
    propanediol butyl ether 163.34
    triethyl orthoformate 232.28
    p-tert-butyltoluene 114.47
    methyl 4-tert-butylbenzoate 270.2
    morpholine 699.12
    tert-butylamine 177.33
    n-dodecanol 45.86
    dimethoxymethane 411.99
    ethylene carbonate 325.15
    cyrene 326.17
    2-ethoxyethyl acetate 349.08
    2-ethylhexyl acetate 300.82
    1,2,4-trichlorobenzene 655.39
    4-methylpyridine 621.72
    dibutyl ether 178.59
    2,6-dimethyl-4-heptanol 87.16
    DEF 486.85
    dimethyl isosorbide 542.74
    tetrachloroethylene 880.62
    eugenol 262.53
    triacetin 375.17
    span 80 199.06
    1,4-butanediol 89.4
    1,1-dichloroethane 782.88
    2-methyl-1-pentanol 185.69
    methyl formate 233.66
    2-methyl-1-butanol 175.7
    n-decane 19.34
    butyronitrile 267.4
    3,7-dimethyl-1-octanol 103.14
    1-chlorooctane 85.79
    1-chlorotetradecane 40.28
    n-nonane 18.56
    undecane 14.88
    tert-butylcyclohexane 59.25
    cyclooctane 39.17
    cyclopentanol 209.81
    tetrahydropyran 600.83
    tert-amyl methyl ether 330.11
    2,5,8-trioxanonane 586.4
    1-hexene 171.69
    2-isopropoxyethanol 255.2
    2,2,2-trifluoroethanol 185.66
    methyl butyrate 346.76

    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