4-Isopropoxyaniline

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  • Identifiers

    CAS number
    7664-66-6

    Molecular formula
    C9H13NO

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 50.08%
    Phenolic 48.24%
    Animal 38.96%
    Smoky 35.44%
    Burnt 30.22%
    Leathery 30.02%
    Medicinal 29.42%
    Spicy 29.01%
    Vanilla 27.87%
    Floral 27.26%

     

    Flavor
    Sweet 63.57%
    Floral 53.14%
    Fruity 37.34%
    Spicy 35.44%
    Phenolic 33.63%
    Bitter 32.37%
    Mild 29.63%
    Powdery 28.59%
    Medicinal 26.64%
    Herbal 26.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.12 (neutral)

    Molecular weight
    151.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 116.41 ˚C est.

  • Synonyms

    • 4-Isopropoxyaniline
    • 7664-66-6
    • EINECS 231-636-9
    • 4-(1-Methylethoxy)benzenamine
    • DTXSID90227461
    • RefChem:524315
    • DTXCID90149952
    • 231-636-9
    • 4-(propan-2-yloxy)aniline
    • p-Isopropoxyaniline
    • 4-Isopropoxybenzenamine
    • 4-propan-2-yloxyaniline
    • MFCD00059188
    • Benzenamine, 4-(1-methylethoxy)-
    • 4-Isopropoxy-phenylamine
    • 4-(methylethoxy)phenylamine
    • 4-isopropoxy-aniline
    • 4-(isopropoxy)aniline
    • 4-isopropoxyphenylamine
    • 4-Isopropoxyaniline #
    • SCHEMBL5563
    • SCHEMBL366223
    • 4-[(Propan-2-yl)oxy]aniline
    • 4-[(1-Methylethyl)oxy]aniline
    • SCHEMBL28231905
    • ALBB-004682
    • BB_SC-10569
    • BBL028078
    • SBB010330
    • STK500982
    • AKOS000104826
    • FI67289
    • SB40523
    • AC-20006
    • AS-15331
    • SY050495
    • DB-014494
    • CS-0051136
    • I0399
    • NS00037822
    • ST50289718
    • EN300-36081
    • F038449
    • 7664-66-6

  • Applications

    4-Isopropoxyaniline (CAS 7664-66-6) is an organic synthesis intermediate used across several industrial segments: as a feedstock for colorants and pigments via azo dye chemistry; as a building block in polymer chemistry for plastics and elastomers, including routes to polyurethane and epoxy resin systems; as an intermediate in pharmaceutical and agrochemical syntheses to access substituted aniline derivatives; employed in coatings, inks, and adhesives as an intermediate or crosslinking precursor; and may be explored as a precursor for specialty polymers used in electronics or optical materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.71
    methanol 473.62
    isopropanol 208.46
    water 11.78
    ethyl acetate 170.14
    n-propanol 245.13
    acetone 408.4
    n-butanol 238.17
    acetonitrile 216.6
    DMF 503.46
    toluene 59.03
    isobutanol 172.72
    1,4-dioxane 293.33
    methyl acetate 229.28
    THF 465.9
    2-butanone 276.08
    n-pentanol 178.05
    sec-butanol 178.78
    n-hexane 31.93
    ethylene glycol 174.51
    NMP 398.16
    cyclohexane 19.45
    DMSO 820.33
    n-butyl acetate 154.1
    n-octanol 81.98
    chloroform 447.17
    n-propyl acetate 104.66
    acetic acid 370.38
    dichloromethane 357.09
    cyclohexanone 239.06
    propylene glycol 215.84
    isopropyl acetate 96.97
    DMAc 568.89
    2-ethoxyethanol 277.72
    isopentanol 201.39
    n-heptane 14.26
    ethyl formate 147.87
    1,2-dichloroethane 222.25
    n-hexanol 178.16
    2-methoxyethanol 419.99
    isobutyl acetate 76.19
    tetrachloromethane 88.14
    n-pentyl acetate 85.89
    transcutol 657.73
    n-heptanol 74.25
    ethylbenzene 35.5
    MIBK 105.31
    2-propoxyethanol 283.68
    tert-butanol 270.21
    MTBE 215.12
    2-butoxyethanol 144.99
    propionic acid 245.26
    o-xylene 48.03
    formic acid 216.04
    diethyl ether 174.06
    m-xylene 46.04
    p-xylene 50.38
    chlorobenzene 114.52
    dimethyl carbonate 107.64
    n-octane 6.08
    formamide 218.99
    cyclopentanone 350.71
    2-pentanone 182.42
    anisole 113.01
    cyclopentyl methyl ether 170.1
    gamma-butyrolactone 388.65
    1-methoxy-2-propanol 282.23
    pyridine 187.42
    3-pentanone 161.27
    furfural 360.43
    n-dodecane 4.93
    diethylene glycol 282.07
    diisopropyl ether 46.93
    tert-amyl alcohol 219.31
    acetylacetone 215.77
    n-hexadecane 5.46
    acetophenone 109.1
    methyl propionate 166.02
    isopentyl acetate 132.68
    trichloroethylene 442.82
    n-nonanol 66.73
    cyclohexanol 138.27
    benzyl alcohol 108.03
    2-ethylhexanol 96.5
    isooctanol 57.69
    dipropyl ether 91.45
    1,2-dichlorobenzene 113.63
    ethyl lactate 90.78
    propylene carbonate 222.69
    n-methylformamide 245.73
    2-pentanol 131.62
    n-pentane 21.89
    1-propoxy-2-propanol 189.84
    1-methoxy-2-propyl acetate 160.15
    2-(2-methoxypropoxy) propanol 153.62
    mesitylene 30.0
    ε-caprolactone 207.91
    p-cymene 34.64
    epichlorohydrin 369.18
    1,1,1-trichloroethane 233.87
    2-aminoethanol 229.87
    morpholine-4-carbaldehyde 341.7
    sulfolane 526.98
    2,2,4-trimethylpentane 16.33
    2-methyltetrahydrofuran 291.59
    n-hexyl acetate 135.5
    isooctane 10.09
    2-(2-butoxyethoxy)ethanol 197.5
    sec-butyl acetate 73.0
    tert-butyl acetate 120.86
    decalin 15.05
    glycerin 295.0
    diglyme 322.71
    acrylic acid 240.0
    isopropyl myristate 47.76
    n-butyric acid 257.19
    acetyl acetate 139.63
    di(2-ethylhexyl) phthalate 64.06
    ethyl propionate 91.33
    nitromethane 474.9
    1,2-diethoxyethane 176.46
    benzonitrile 119.59
    trioctyl phosphate 46.06
    1-bromopropane 131.68
    gamma-valerolactone 366.36
    n-decanol 48.57
    triethyl phosphate 68.26
    4-methyl-2-pentanol 80.82
    propionitrile 157.71
    vinylene carbonate 197.43
    1,1,2-trichlorotrifluoroethane 371.8
    DMS 127.88
    cumene 31.79
    2-octanol 47.9
    2-hexanone 134.89
    octyl acetate 65.19
    limonene 52.57
    1,2-dimethoxyethane 338.35
    ethyl orthosilicate 68.49
    tributyl phosphate 65.4
    diacetone alcohol 171.34
    N,N-dimethylaniline 79.58
    acrylonitrile 175.24
    aniline 122.48
    1,3-propanediol 257.42
    bromobenzene 105.75
    dibromomethane 230.54
    1,1,2,2-tetrachloroethane 376.85
    2-methyl-cyclohexyl acetate 96.78
    tetrabutyl urea 74.89
    diisobutyl methanol 50.38
    2-phenylethanol 109.43
    styrene 47.55
    dioctyl adipate 76.33
    dimethyl sulfate 203.03
    ethyl butyrate 96.29
    methyl lactate 147.34
    butyl lactate 96.64
    diethyl carbonate 79.17
    propanediol butyl ether 184.62
    triethyl orthoformate 85.34
    p-tert-butyltoluene 36.0
    methyl 4-tert-butylbenzoate 101.7
    morpholine 308.23
    tert-butylamine 161.98
    n-dodecanol 36.08
    dimethoxymethane 239.78
    ethylene carbonate 167.23
    cyrene 144.53
    2-ethoxyethyl acetate 134.41
    2-ethylhexyl acetate 108.63
    1,2,4-trichlorobenzene 153.82
    4-methylpyridine 186.07
    dibutyl ether 78.56
    2,6-dimethyl-4-heptanol 50.38
    DEF 198.53
    dimethyl isosorbide 207.19
    tetrachloroethylene 236.72
    eugenol 109.61
    triacetin 141.97
    span 80 127.98
    1,4-butanediol 142.88
    1,1-dichloroethane 222.53
    2-methyl-1-pentanol 150.11
    methyl formate 193.94
    2-methyl-1-butanol 194.6
    n-decane 8.7
    butyronitrile 168.19
    3,7-dimethyl-1-octanol 79.21
    1-chlorooctane 40.3
    1-chlorotetradecane 15.13
    n-nonane 8.71
    undecane 6.24
    tert-butylcyclohexane 17.32
    cyclooctane 7.87
    cyclopentanol 168.81
    tetrahydropyran 228.41
    tert-amyl methyl ether 154.69
    2,5,8-trioxanonane 222.56
    1-hexene 83.45
    2-isopropoxyethanol 167.72
    2,2,2-trifluoroethanol 165.08
    methyl butyrate 124.61

    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