N-Isopropylaniline

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  • Identifiers

    CAS number
    768-52-5

    Molecular formula
    C9H13N

    SMILES
    CC(C)NC1=CC=CC=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 36.46%
    Animal 32.42%
    Cheesy 32.18%
    Floral 31.9%
    Roasted 31.01%
    Meaty 30.18%
    Grapefruit 29.77%
    Burnt 29.23%
    Sulfurous 27.59%
    Ripe 27.17%

     

    Flavor
    Green 31.66%
    Floral 27.4%
    Mild 26.89%
    Meaty 24.04%
    Fresh 21.96%
    Tropical 21.56%
    Fishy 20.66%
    Herbal 20.59%
    Spice 20.35%
    Creosote 20.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.92 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -58 °F (NIOSH, 2024)
    • -32 °C
    • -58 °F

    Boiling point

    • 397 to 399 °F at 760 mmHg (NTP, 1992)
    • 203 °C @ 760 mm Hg
    • 203-204 °C
    • 397 °F

    Flash point

    • 77.64 ˚C est.
    • 190 °F (NTP, 1992)
    • 87 °C
    • 190 °F (87.7 °C) (Cleveland Open Cup)
    • 82 °C c.c.
    • 190 °F (open cup)
    • (oc) 190 °F

    Solubility expt.

    • less than 0.1 mg/mL at 70 °F (NTP, 1992)
    • Sol in alcohol, ether, acetone, benzene
    • Solubility in water: insoluble

  • Synonyms

    • N-ISOPROPYLANILINE
    • 768-52-5
    • Isopropylaniline
    • Benzenamine, N-(1-methylethyl)-
    • Aniline, N-isopropyl-
    • N-Phenylisopropylamine
    • N-isopropyl aniline
    • N-propan-2-ylaniline
    • Phenylisopropylamine
    • isopropylphenylamine
    • N-Isopropylaniline-d6
    • CCRIS 4831
    • N-IPA
    • HSDB 6133
    • N-Isopropyl-N-phenylamine
    • EINECS 212-196-7
    • N-(1-Methylethyl)benzenamine
    • UNII-I7Y9616F3R
    • BRN 2205871
    • N-Isopropylbenzenamine
    • DTXSID7025479
    • N-(propan-2-yl)aniline
    • N-(1-Methylethyl)phenylamine
    • ISOPROPYL ANILINE, N-
    • DTXCID005479
    • N-ISOPROPYLANILINE [HSDB]
    • I7Y9616F3R
    • 4-12-00-00255 (Beilstein Handbook Reference)
    • 67699-91-6
    • N-iso-Propylaniline
    • 2-(Phenylamino)propane
    • N-(1-Methylethyl)-benzenamine
    • Isopropyl aniline
    • N-isopropylanilines
    • n-isopropyl-aniline
    • NPhenylisopropylamine
    • MFCD00026347
    • isopropyl-phenyl-amine
    • N-(2-propyl)aniline
    • N-Isopropylaniline, 97%
    • N(1Methylethyl)benzenamine
    • N-isopropyl-1-amino-benzene
    • N-Isopropylaniline (ACGIH)
    • SCHEMBL66892
    • MLS002415756
    • BIDD:GT0756
    • N-(1-Methylethyl) benzenamine
    • CHEMBL1529910
    • CHEBI:21742
    • HMS3039C10
    • SCA69991
    • Tox21_200360
    • AKOS000120988
    • CS-W019925
    • GS-3034
    • NCGC00091287-01
    • NCGC00091287-02
    • NCGC00257914-01
    • AC-14912
    • CAS-768-52-5
    • SMR001370916
    • DB-000675
    • I0384
    • NS00022770
    • EN300-19744
    • D70367
    • Q3284357
    • N-Isopropylaniline, PESTANAL(R), analytical standard
    • Z104475020

  • Applications

    N-Isopropylaniline (CAS 768-52-5) is primarily used as an intermediate in the synthesis of aromatic colorants and related compounds, serving as a building block for various azo dyes and pigments employed in inks, coatings, and plastics. It is also used as a versatile precursor in the manufacture of pharmaceutical and agrochemical intermediates, enabling downstream transformations to target active ingredients. In polymer and materials production, it contributes arylamine moieties to specialty polymers and pigment formulations, influencing color properties and performance. It can be encountered in broader organic synthesis as a stepping-stone to other substituted anilines and related compounds, with uses governed by formulation needs and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.8
    methanol 262.48
    isopropanol 221.09
    water 0.3
    ethyl acetate 237.37
    n-propanol 233.57
    acetone 479.74
    n-butanol 253.52
    acetonitrile 222.65
    DMF 471.24
    toluene 160.01
    isobutanol 190.69
    1,4-dioxane 516.95
    methyl acetate 226.88
    THF 985.05
    2-butanone 285.43
    n-pentanol 182.86
    sec-butanol 190.38
    n-hexane 209.64
    ethylene glycol 62.48
    NMP 472.48
    cyclohexane 236.0
    DMSO 635.06
    n-butyl acetate 385.19
    n-octanol 200.9
    chloroform 684.3
    n-propyl acetate 161.98
    acetic acid 229.85
    dichloromethane 584.79
    cyclohexanone 492.16
    propylene glycol 113.16
    isopropyl acetate 154.41
    DMAc 370.0
    2-ethoxyethanol 149.47
    isopentanol 198.88
    n-heptane 286.51
    ethyl formate 150.4
    1,2-dichloroethane 318.25
    n-hexanol 493.09
    2-methoxyethanol 248.17
    isobutyl acetate 126.43
    tetrachloromethane 147.77
    n-pentyl acetate 147.73
    transcutol 427.91
    n-heptanol 164.7
    ethylbenzene 92.72
    MIBK 179.16
    2-propoxyethanol 404.56
    tert-butanol 282.73
    MTBE 270.76
    2-butoxyethanol 170.81
    propionic acid 195.24
    o-xylene 107.23
    formic acid 39.51
    diethyl ether 327.83
    m-xylene 116.94
    p-xylene 121.37
    chlorobenzene 197.71
    dimethyl carbonate 110.15
    n-octane 72.47
    formamide 50.63
    cyclopentanone 662.9
    2-pentanone 301.72
    anisole 157.07
    cyclopentyl methyl ether 433.85
    gamma-butyrolactone 560.71
    1-methoxy-2-propanol 237.73
    pyridine 302.41
    3-pentanone 246.99
    furfural 343.9
    n-dodecane 56.44
    diethylene glycol 206.37
    diisopropyl ether 128.89
    tert-amyl alcohol 207.69
    acetylacetone 273.5
    n-hexadecane 62.28
    acetophenone 141.46
    methyl propionate 212.68
    isopentyl acetate 280.01
    trichloroethylene 506.22
    n-nonanol 160.61
    cyclohexanol 256.35
    benzyl alcohol 110.78
    2-ethylhexanol 301.45
    isooctanol 116.92
    dipropyl ether 494.52
    1,2-dichlorobenzene 172.54
    ethyl lactate 92.9
    propylene carbonate 339.85
    n-methylformamide 150.17
    2-pentanol 185.26
    n-pentane 150.77
    1-propoxy-2-propanol 350.09
    1-methoxy-2-propyl acetate 259.86
    2-(2-methoxypropoxy) propanol 183.58
    mesitylene 86.48
    ε-caprolactone 334.81
    p-cymene 120.27
    epichlorohydrin 425.04
    1,1,1-trichloroethane 359.65
    2-aminoethanol 123.73
    morpholine-4-carbaldehyde 357.61
    sulfolane 748.64
    2,2,4-trimethylpentane 55.21
    2-methyltetrahydrofuran 592.48
    n-hexyl acetate 248.7
    isooctane 46.85
    2-(2-butoxyethoxy)ethanol 222.59
    sec-butyl acetate 106.29
    tert-butyl acetate 183.13
    decalin 83.22
    glycerin 129.06
    diglyme 367.04
    acrylic acid 155.59
    isopropyl myristate 129.81
    n-butyric acid 273.07
    acetyl acetate 160.88
    di(2-ethylhexyl) phthalate 116.13
    ethyl propionate 147.21
    nitromethane 308.57
    1,2-diethoxyethane 272.78
    benzonitrile 160.43
    trioctyl phosphate 101.41
    1-bromopropane 316.41
    gamma-valerolactone 470.49
    n-decanol 131.0
    triethyl phosphate 114.07
    4-methyl-2-pentanol 112.49
    propionitrile 194.17
    vinylene carbonate 249.79
    1,1,2-trichlorotrifluoroethane 297.44
    DMS 167.34
    cumene 77.99
    2-octanol 111.61
    2-hexanone 219.99
    octyl acetate 167.16
    limonene 230.55
    1,2-dimethoxyethane 336.7
    ethyl orthosilicate 107.47
    tributyl phosphate 114.39
    diacetone alcohol 192.24
    N,N-dimethylaniline 129.24
    acrylonitrile 180.42
    aniline 144.08
    1,3-propanediol 144.94
    bromobenzene 227.83
    dibromomethane 469.06
    1,1,2,2-tetrachloroethane 469.07
    2-methyl-cyclohexyl acetate 202.86
    tetrabutyl urea 156.57
    diisobutyl methanol 160.37
    2-phenylethanol 174.73
    styrene 117.55
    dioctyl adipate 168.6
    dimethyl sulfate 182.78
    ethyl butyrate 235.38
    methyl lactate 119.38
    butyl lactate 122.87
    diethyl carbonate 139.47
    propanediol butyl ether 180.31
    triethyl orthoformate 160.39
    p-tert-butyltoluene 119.8
    methyl 4-tert-butylbenzoate 167.61
    morpholine 471.62
    tert-butylamine 217.34
    n-dodecanol 113.18
    dimethoxymethane 325.93
    ethylene carbonate 220.16
    cyrene 165.04
    2-ethoxyethyl acetate 166.13
    2-ethylhexyl acetate 242.98
    1,2,4-trichlorobenzene 190.94
    4-methylpyridine 273.48
    dibutyl ether 270.4
    2,6-dimethyl-4-heptanol 160.37
    DEF 266.95
    dimethyl isosorbide 320.11
    tetrachloroethylene 307.49
    eugenol 141.37
    triacetin 200.93
    span 80 220.82
    1,4-butanediol 75.81
    1,1-dichloroethane 345.9
    2-methyl-1-pentanol 146.07
    methyl formate 146.52
    2-methyl-1-butanol 186.73
    n-decane 87.26
    butyronitrile 247.65
    3,7-dimethyl-1-octanol 170.82
    1-chlorooctane 187.16
    1-chlorotetradecane 86.87
    n-nonane 99.63
    undecane 68.54
    tert-butylcyclohexane 79.29
    cyclooctane 94.13
    cyclopentanol 326.91
    tetrahydropyran 618.08
    tert-amyl methyl ether 205.55
    2,5,8-trioxanonane 295.1
    1-hexene 288.17
    2-isopropoxyethanol 123.83
    2,2,2-trifluoroethanol 65.9
    methyl butyrate 197.97

    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