2,3-Xylidine

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  • Identifiers

    CAS number
    87-59-2

    Molecular formula
    C8H11N

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 46.35%
    Phenolic 42.67%
    Leathery 38.27%
    Musty 33.33%
    Smoky 32.57%
    Woody 32.09%
    Burnt 31.4%
    Sweet 29.73%
    Floral 27.7%
    Earthy 27.22%

     

    Flavor
    Phenolic 40.27%
    Medicinal 34.76%
    Meaty 32.14%
    Roasted 25.98%
    Plastic 25.93%
    Guaiacol 23.3%
    Flat 23.16%
    Smoke 23.16%
    Naphthyl 23.14%
    Nutty 22.01%

     

    Odor impact est.
    Low

    Odor threshold

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

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.48 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • less than 5 °F (NTP, 1992)
    • < -15 °C
    • 2 °C

    Boiling point

    • 430 to 432 °F at 760 mmHg (NTP, 1992)
    • 221.5 °C @ 760 mm Hg
    • 222 °C

    Flash point

    • 96.53 ˚C est.
    • 206 °F (NTP, 1992)
    • 206 °F (97 °C) (Closed cup)
    • 96 °C c.c.

    Solubility expt.

    • 1 to 5 mg/mL at 75 °F (NTP, 1992)
    • Sol in alcohol, ether; soluble in carbon tetrachloride
    • Slightly sol in water
    • Soluble in oxygenated solvents.
    • Solubility in water, g/100ml at 20 °C: 15

  • Synonyms

    • 2,3-Dimethylaniline
    • 87-59-2
    • 2,3-XYLIDINE
    • 3-Amino-o-xylene
    • Benzenamine, 2,3-dimethyl-
    • 2,3-Dimethylbenzenamine
    • 2,3-Dimethylphenylamine
    • ortho-Xylidine
    • 2,3-Xylylamine
    • 1-Amino-2,3-dimethylbenzene
    • CCRIS 4739
    • HSDB 2091
    • Benzene, 1-amino-2,3-dimethyl-
    • UNII-ZD450ABI9X
    • EINECS 201-755-0
    • BRN 0742174
    • DTXSID3026304
    • 2,3-dimethyl-aniline
    • MFCD00007732
    • ZD450ABI9X
    • DTXCID806304
    • 2,3-XYLIDINE [HSDB]
    • DIMETHYLANILINE, 2,3-
    • EC 201-755-0
    • 4-12-00-02497 (Beilstein Handbook Reference)
    • 2,3-DIMETHYLANILINE [USP-RS]
    • XYLIDINE 2,3-DIMETHYLBENZENAMINE
    • XYLIDINE 2,3-DIMETHYLBENZENAMINE [MI]
    • MEFENAMIC ACID IMPURITY A [EP IMPURITY]
    • vic-o-Xylidine
    • 2,3-DIMETHYLANILINE (USP-RS)
    • MEFENAMIC ACID IMPURITY A (EP IMPURITY)
    • xylidin
    • dimethylbenzenamine
    • Mefenamic Acid Imp. A (EP); 2,3-Dimethylaniline; Mefenamic Acid Impurity A
    • 2,3 Dimethylaniline
    • 2,3-Xylidene (2,3-Dimethylaniline)
    • 2,3-dimethyl aniline
    • 3-Amino-1,2-xylene
    • 2,3-Dimethylbenzeneamine
    • aniline, 2,3-dimethyl-
    • DSSTox_CID_6304
    • DSSTox_RID_78429
    • DSSTox_GSID_27377
    • SCHEMBL15024
    • Benzenamine, ar,ar-dimethyl-
    • 2,3-Dimethylaniline, 99%
    • BIDD:GT0208
    • CHEMBL1578983
    • Tox21_200158
    • Tox21_301836
    • STL168890
    • AKOS000119111
    • FD22350
    • CAS-87-59-2
    • NCGC00091760-01
    • NCGC00091760-02
    • NCGC00255325-01
    • NCGC00257712-01
    • AS-11829
    • CAS-1300-73-8
    • DB-024273
    • D0666
    • NS00001055
    • EN300-19069
    • F87288
    • 2,3-Dimethylaniline 100 microg/mL in Acetonitrile
    • Q39045423
    • F2190-0462
    • Z104472546
    • 2,3-Dimethylbenzenamine;2,3-Dimethylphenylamine;2,3-Xylylamine
    • 2,3-Dimethylaniline, United States Pharmacopeia (USP) Reference Standard
    • Mefenamic acid impurity A, European Pharmacopoeia (EP) Reference Standard
    • 201-755-0

  • Applications

    2,3-Xylidine (CAS 87-59-2) is primarily employed as a chemical intermediate in the synthesis of azo dyes and pigments, enabling colorant production for textiles, printing inks, and coatings. It also serves as a building block for pharmaceutical and agrochemical intermediates, adding methylated aniline moieties to target compounds. In polymers and plastics, it is used as a precursor for colorants and specialty additives incorporated into plastic formulations and molded articles. Additionally, it appears in coatings and ink formulations as a dye precursor, under regulated processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 680.22
    methanol 1085.3
    isopropanol 350.73
    water 15.57
    ethyl acetate 692.75
    n-propanol 615.3
    acetone 524.59
    n-butanol 517.88
    acetonitrile 878.05
    DMF 484.39
    toluene 121.84
    isobutanol 277.57
    1,4-dioxane 1175.19
    methyl acetate 603.19
    THF 1373.15
    2-butanone 598.03
    n-pentanol 287.16
    sec-butanol 295.33
    n-hexane 44.17
    ethylene glycol 68.05
    NMP 358.55
    cyclohexane 40.01
    DMSO 529.46
    n-butyl acetate 487.09
    n-octanol 93.51
    chloroform 872.39
    n-propyl acetate 256.8
    acetic acid 512.76
    dichloromethane 793.57
    cyclohexanone 562.3
    propylene glycol 63.63
    isopropyl acetate 261.83
    DMAc 346.61
    2-ethoxyethanol 384.17
    isopentanol 285.46
    n-heptane 51.29
    ethyl formate 545.0
    1,2-dichloroethane 547.62
    n-hexanol 393.67
    2-methoxyethanol 657.01
    isobutyl acetate 119.74
    tetrachloromethane 223.88
    n-pentyl acetate 182.91
    transcutol 640.4
    n-heptanol 158.04
    ethylbenzene 41.81
    MIBK 184.92
    2-propoxyethanol 585.51
    tert-butanol 396.5
    MTBE 462.6
    2-butoxyethanol 268.69
    propionic acid 422.94
    o-xylene 67.65
    formic acid 376.86
    diethyl ether 855.16
    m-xylene 69.4
    p-xylene 57.0
    chlorobenzene 205.38
    dimethyl carbonate 148.44
    n-octane 17.4
    formamide 687.77
    cyclopentanone 702.24
    2-pentanone 460.52
    anisole 148.36
    cyclopentyl methyl ether 432.97
    gamma-butyrolactone 849.04
    1-methoxy-2-propanol 334.05
    pyridine 563.35
    3-pentanone 353.82
    furfural 527.17
    n-dodecane 8.78
    diethylene glycol 268.98
    diisopropyl ether 133.11
    tert-amyl alcohol 281.95
    acetylacetone 268.41
    n-hexadecane 9.78
    acetophenone 102.62
    methyl propionate 414.81
    isopentyl acetate 306.95
    trichloroethylene 681.72
    n-nonanol 86.99
    cyclohexanol 191.5
    benzyl alcohol 97.87
    2-ethylhexanol 171.47
    isooctanol 108.15
    dipropyl ether 359.34
    1,2-dichlorobenzene 151.66
    ethyl lactate 70.54
    propylene carbonate 317.21
    n-methylformamide 658.95
    2-pentanol 238.63
    n-pentane 49.65
    1-propoxy-2-propanol 343.64
    1-methoxy-2-propyl acetate 302.55
    2-(2-methoxypropoxy) propanol 122.4
    mesitylene 43.54
    ε-caprolactone 418.71
    p-cymene 47.14
    epichlorohydrin 801.66
    1,1,1-trichloroethane 512.83
    2-aminoethanol 209.56
    morpholine-4-carbaldehyde 434.62
    sulfolane 482.24
    2,2,4-trimethylpentane 21.37
    2-methyltetrahydrofuran 768.52
    n-hexyl acetate 169.87
    isooctane 18.67
    2-(2-butoxyethoxy)ethanol 224.91
    sec-butyl acetate 126.63
    tert-butyl acetate 253.6
    decalin 17.03
    glycerin 105.67
    diglyme 460.49
    acrylic acid 273.37
    isopropyl myristate 57.87
    n-butyric acid 651.56
    acetyl acetate 252.83
    di(2-ethylhexyl) phthalate 51.15
    ethyl propionate 202.58
    nitromethane 1130.24
    1,2-diethoxyethane 478.07
    benzonitrile 174.57
    trioctyl phosphate 44.31
    1-bromopropane 351.34
    gamma-valerolactone 767.93
    n-decanol 61.68
    triethyl phosphate 85.52
    4-methyl-2-pentanol 113.93
    propionitrile 649.58
    vinylene carbonate 331.41
    1,1,2-trichlorotrifluoroethane 302.18
    DMS 111.56
    cumene 36.24
    2-octanol 82.89
    2-hexanone 254.22
    octyl acetate 82.89
    limonene 79.27
    1,2-dimethoxyethane 644.72
    ethyl orthosilicate 92.81
    tributyl phosphate 59.75
    diacetone alcohol 205.2
    N,N-dimethylaniline 74.41
    acrylonitrile 577.95
    aniline 220.94
    1,3-propanediol 358.47
    bromobenzene 179.07
    dibromomethane 537.66
    1,1,2,2-tetrachloroethane 467.66
    2-methyl-cyclohexyl acetate 121.97
    tetrabutyl urea 67.88
    diisobutyl methanol 85.75
    2-phenylethanol 157.21
    styrene 57.88
    dioctyl adipate 68.04
    dimethyl sulfate 162.06
    ethyl butyrate 279.72
    methyl lactate 111.74
    butyl lactate 100.12
    diethyl carbonate 152.62
    propanediol butyl ether 104.59
    triethyl orthoformate 179.68
    p-tert-butyltoluene 48.51
    methyl 4-tert-butylbenzoate 107.12
    morpholine 1074.51
    tert-butylamine 258.88
    n-dodecanol 45.06
    dimethoxymethane 509.88
    ethylene carbonate 317.5
    cyrene 97.7
    2-ethoxyethyl acetate 247.65
    2-ethylhexyl acetate 230.09
    1,2,4-trichlorobenzene 159.36
    4-methylpyridine 407.26
    dibutyl ether 163.04
    2,6-dimethyl-4-heptanol 85.75
    DEF 388.26
    dimethyl isosorbide 231.68
    tetrachloroethylene 370.72
    eugenol 109.33
    triacetin 97.82
    span 80 108.14
    1,4-butanediol 93.34
    1,1-dichloroethane 538.4
    2-methyl-1-pentanol 186.1
    methyl formate 418.88
    2-methyl-1-butanol 283.54
    n-decane 16.76
    butyronitrile 581.76
    3,7-dimethyl-1-octanol 80.93
    1-chlorooctane 62.76
    1-chlorotetradecane 21.86
    n-nonane 16.79
    undecane 11.52
    tert-butylcyclohexane 21.34
    cyclooctane 15.37
    cyclopentanol 241.19
    tetrahydropyran 913.12
    tert-amyl methyl ether 254.75
    2,5,8-trioxanonane 247.62
    1-hexene 137.87
    2-isopropoxyethanol 200.4
    2,2,2-trifluoroethanol 208.16
    methyl butyrate 272.72

    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