2,5-Dimethylaniline

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  • Identifiers

    CAS number
    95-78-3

    Molecular formula
    C8H11N

    SMILES
    CC1=CC(=C(C=C1)C)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 46.18%
    Phenolic 42.58%
    Floral 37.47%
    Leathery 36.31%
    Sweet 35.94%
    Woody 35.23%
    Smoky 31.59%
    Musty 31.09%
    Burnt 28.82%
    Dry 27.26%

     

    Flavor
    Phenolic 45.12%
    Medicinal 38.44%
    Meaty 30.86%
    Plastic 27.81%
    Naphthyl 25.18%
    Smoke 24.55%
    Phenol 23.97%
    Guaiacol 23.87%
    Woody 23.54%
    Smoky 23.52%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor threshold in air= 1.00X10+12 molecules/cc. /Xylidine/
    • Threshold for xylidine is 0.0240 mg/cu m /Xylidine/

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.19 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 59.9 °F (NTP, 1992)
    • 15.5 °C

    Boiling point

    • 417 °F at 760 mmHg (NTP, 1992)
    • 214 °C
    • 214 °C @ 760 MM HG
    • 218 °C

    Flash point

    • 94.69 ˚C est.
    • 201 °F (NTP, 1992)
    • 93 °C

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • 5600 mg/L (at 12 °C)
    • Sol in ether, carbon tetrachloride
    • SLIGHTLY SOL IN ETHANOL
    • Soluble in oxygenated solvents.
    • 5600 mg/l at 12 °C in water
    • Solubility in water, g/100ml at 18 °C: 0.5

  • Synonyms

    • 2,5-Dimethylaniline
    • 95-78-3
    • 2,5-XYLIDINE
    • p-Xylidine
    • Benzenamine, 2,5-dimethyl-
    • 1-Amino-2,5-dimethylbenzene
    • 2,5-Dimethylbenzenamine
    • 2,5-Dimethylphenylamine
    • 2-Amino-1,4-xylene
    • 2,5-Xylidene
    • 5-Methyl-o-toluidine
    • 6-Methyl-m-toluidine
    • p-Dimethylaniline
    • para-Xylidine
    • 2-Amino-p-xylene
    • Aniline, 2,5-dimethyl-
    • 2-Amino-1,4-dimethylbenzene
    • 3-Amino-1,4-dimethylbenzene
    • 5-Amino-1,4-dimethylbenzene
    • 2,5-Dimethylbenzeneamine
    • CCRIS 4740
    • HSDB 2093
    • 2,5-Dimethyl-benzenamine
    • Benzene, 2-amino-1,4-dimethyl-
    • UNII-XWK0W8DA04
    • NSC 7639
    • EINECS 202-451-0
    • XWK0W8DA04
    • DTXSID3026306
    • 2,5-dimethyl-aniline
    • AI3-16559
    • CHEBI:518305
    • NSC-7639
    • DTXCID606306
    • 2,5-XYLIDINE [HSDB]
    • 2,5-XYLIDINE [IARC]
    • EC 202-451-0
    • XYLIDINE 2,5-DIMETHYLBENZENAMINE
    • XYLIDINE 2,5-DIMETHYLBENZENAMINE [MI]
    • 2,5-XYLIDINE (IARC)
    • 2,?5-?Dimethylaniline(2,5-Xylidine)
    • XYD
    • 2,5 xylidine
    • MFCD00007743
    • Aniline,5-dimethyl-
    • 2,5-dimethyl aniline
    • SCHEMBL70824
    • 2,5-Dimethylaniline, 99%
    • MLS002302984
    • BIDD:GT0848
    • WLN: ZR B1 E1
    • CHEMBL249120
    • NSC7639
    • HMS3039E07
    • Tox21_201025
    • 2,5-Dimethylaniline(2,5-Xylidine)
    • STL168884
    • AKOS000119303
    • DB02163
    • 2-phenyl-6-[(E)-styryl]pyran-4-one
    • CAS-95-78-3
    • NCGC00091359-01
    • NCGC00091359-02
    • NCGC00258578-01
    • AC-10701
    • PD008167
    • SMR001307302
    • TS-03565
    • DB-020122
    • D0668
    • NS00004477
    • EN300-17985
    • C18993
    • D87519
    • Q4596795
    • Z57127441
    • F2190-0464
    • 202-451-0

  • Applications

    2,5-Dimethylaniline (CAS 95-78-3) is primarily used as an intermediate in the manufacture of colorants and pigments, notably in the synthesis of azo dyes and pigments for textiles, printing, and coatings; it is also a precursor in the synthesis of pharmaceutical and agrochemical compounds; in the polymer and plastics sector, it serves as a building block for specialty chemicals and formulations; and in coatings/inks it is commonly employed as a color source and dye precursor for color systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 982.97
    methanol 902.12
    isopropanol 721.74
    water 8.08
    ethyl acetate 1103.34
    n-propanol 831.99
    acetone 1780.11
    n-butanol 671.17
    acetonitrile 1891.99
    DMF 985.75
    toluene 198.86
    isobutanol 493.4
    1,4-dioxane 1581.38
    methyl acetate 1181.21
    THF 2467.73
    2-butanone 1304.96
    n-pentanol 434.3
    sec-butanol 545.6
    n-hexane 110.62
    ethylene glycol 89.52
    NMP 553.77
    cyclohexane 57.81
    DMSO 1004.53
    n-butyl acetate 700.35
    n-octanol 208.19
    chloroform 1214.67
    n-propyl acetate 513.92
    acetic acid 655.27
    dichloromethane 1007.03
    cyclohexanone 913.37
    propylene glycol 135.97
    isopropyl acetate 488.78
    DMAc 540.6
    2-ethoxyethanol 503.58
    isopentanol 443.19
    n-heptane 87.08
    ethyl formate 757.88
    1,2-dichloroethane 702.04
    n-hexanol 628.74
    2-methoxyethanol 762.99
    isobutyl acetate 272.65
    tetrachloromethane 282.94
    n-pentyl acetate 253.74
    transcutol 593.54
    n-heptanol 273.73
    ethylbenzene 99.12
    MIBK 414.34
    2-propoxyethanol 803.23
    tert-butanol 725.85
    MTBE 849.19
    2-butoxyethanol 394.09
    propionic acid 585.51
    o-xylene 109.33
    formic acid 226.82
    diethyl ether 1126.74
    m-xylene 141.29
    p-xylene 131.74
    chlorobenzene 289.23
    dimethyl carbonate 275.86
    n-octane 39.1
    formamide 416.15
    cyclopentanone 1371.83
    2-pentanone 950.1
    anisole 247.26
    cyclopentyl methyl ether 805.74
    gamma-butyrolactone 1407.89
    1-methoxy-2-propanol 562.34
    pyridine 717.57
    3-pentanone 623.35
    furfural 650.47
    n-dodecane 24.41
    diethylene glycol 336.78
    diisopropyl ether 228.33
    tert-amyl alcohol 482.97
    acetylacetone 650.41
    n-hexadecane 26.7
    acetophenone 177.29
    methyl propionate 685.97
    isopentyl acetate 451.32
    trichloroethylene 961.19
    n-nonanol 173.96
    cyclohexanol 287.9
    benzyl alcohol 158.56
    2-ethylhexanol 287.59
    isooctanol 197.94
    dipropyl ether 542.82
    1,2-dichlorobenzene 199.18
    ethyl lactate 133.52
    propylene carbonate 543.02
    n-methylformamide 844.93
    2-pentanol 422.47
    n-pentane 84.92
    1-propoxy-2-propanol 521.16
    1-methoxy-2-propyl acetate 407.9
    2-(2-methoxypropoxy) propanol 181.38
    mesitylene 88.79
    ε-caprolactone 609.59
    p-cymene 79.01
    epichlorohydrin 1335.98
    1,1,1-trichloroethane 831.3
    2-aminoethanol 228.67
    morpholine-4-carbaldehyde 602.1
    sulfolane 878.47
    2,2,4-trimethylpentane 42.25
    2-methyltetrahydrofuran 1384.84
    n-hexyl acetate 320.32
    isooctane 42.08
    2-(2-butoxyethoxy)ethanol 307.93
    sec-butyl acetate 247.75
    tert-butyl acetate 431.73
    decalin 36.26
    glycerin 169.64
    diglyme 574.02
    acrylic acid 349.15
    isopropyl myristate 116.6
    n-butyric acid 860.89
    acetyl acetate 446.03
    di(2-ethylhexyl) phthalate 84.09
    ethyl propionate 366.29
    nitromethane 1801.85
    1,2-diethoxyethane 482.67
    benzonitrile 258.1
    trioctyl phosphate 82.19
    1-bromopropane 503.85
    gamma-valerolactone 1241.81
    n-decanol 133.75
    triethyl phosphate 112.6
    4-methyl-2-pentanol 219.3
    propionitrile 1023.86
    vinylene carbonate 440.94
    1,1,2-trichlorotrifluoroethane 415.54
    DMS 177.51
    cumene 77.1
    2-octanol 166.11
    2-hexanone 551.36
    octyl acetate 162.14
    limonene 132.43
    1,2-dimethoxyethane 961.99
    ethyl orthosilicate 118.56
    tributyl phosphate 92.4
    diacetone alcohol 392.94
    N,N-dimethylaniline 144.9
    acrylonitrile 937.86
    aniline 265.0
    1,3-propanediol 409.1
    bromobenzene 271.49
    dibromomethane 696.54
    1,1,2,2-tetrachloroethane 682.5
    2-methyl-cyclohexyl acetate 185.23
    tetrabutyl urea 110.56
    diisobutyl methanol 152.29
    2-phenylethanol 233.33
    styrene 113.62
    dioctyl adipate 117.96
    dimethyl sulfate 299.18
    ethyl butyrate 380.72
    methyl lactate 200.34
    butyl lactate 153.66
    diethyl carbonate 202.45
    propanediol butyl ether 195.5
    triethyl orthoformate 209.29
    p-tert-butyltoluene 86.51
    methyl 4-tert-butylbenzoate 167.75
    morpholine 1353.98
    tert-butylamine 445.7
    n-dodecanol 101.87
    dimethoxymethane 816.41
    ethylene carbonate 431.74
    cyrene 164.81
    2-ethoxyethyl acetate 308.4
    2-ethylhexyl acetate 322.4
    1,2,4-trichlorobenzene 204.7
    4-methylpyridine 616.88
    dibutyl ether 276.87
    2,6-dimethyl-4-heptanol 152.29
    DEF 617.67
    dimethyl isosorbide 319.46
    tetrachloroethylene 432.62
    eugenol 159.7
    triacetin 163.58
    span 80 182.03
    1,4-butanediol 144.31
    1,1-dichloroethane 1006.87
    2-methyl-1-pentanol 278.57
    methyl formate 674.46
    2-methyl-1-butanol 414.96
    n-decane 45.12
    butyronitrile 1048.69
    3,7-dimethyl-1-octanol 165.78
    1-chlorooctane 147.57
    1-chlorotetradecane 52.91
    n-nonane 48.16
    undecane 32.08
    tert-butylcyclohexane 48.52
    cyclooctane 25.88
    cyclopentanol 444.02
    tetrahydropyran 1318.02
    tert-amyl methyl ether 417.18
    2,5,8-trioxanonane 310.94
    1-hexene 336.3
    2-isopropoxyethanol 338.96
    2,2,2-trifluoroethanol 252.1
    methyl butyrate 508.17

    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