3,4-Xylidine

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  • Identifiers

    CAS number
    95-64-7

    Molecular formula
    C8H11N

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 47.12%
    Phenolic 40.99%
    Woody 38.29%
    Leathery 37.39%
    Floral 34.3%
    Smoky 30.63%
    Musty 30.61%
    Sweet 29.58%
    Earthy 28.26%
    Burnt 27.85%

     

    Flavor
    Phenolic 42.25%
    Medicinal 36.72%
    Plastic 29.4%
    Meaty 25.54%
    Naphthyl 25.21%
    Guaiacol 24.09%
    Smoke 23.46%
    Phenol 23.17%
    Flat 23.16%
    Woody 22.06%

     

    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. /Xylidine/

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.54 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 124 °F (NTP, 1992)
    • 51 °C

    Boiling point

    • 442 °F at 760 mmHg (NTP, 1992)
    • 228 °C @ 760 MM HG
    • 228 °C

    Flash point

    • 96.06 ˚C est.
    • 209 °F (NTP, 1992)
    • 98 °C

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Sol in ether, petroleum
    • Very soluble in ligroin; soluble in ether; slightly soluble in chloroform and water.
    • Soluble in aromatic solvents.
    • Solubility in water, g/100ml at 22 °C: 0.38

  • Synonyms

    • 3,4-Dimethylaniline
    • 95-64-7
    • 3,4-XYLIDINE
    • 4-Amino-o-xylene
    • Benzenamine, 3,4-dimethyl-
    • 3,4-Xylylamine
    • 3,4-Dimethylbenzenamine
    • 3,4-Dimethylphenylamine
    • 1-Amino-3,4-dimethylbenzene
    • 3,4-Dimethylaminobenzene
    • 4-Amino-1,2-dimethylbenzene
    • Aniline, 3,4-dimethyl
    • 3,4-Dimethylbenzeneamine
    • 3,4-dimethylbenzene-1-amine
    • CCRIS 4741
    • DTXSID3026308
    • HSDB 2095
    • Benzene, 4-amino-1,2-dimethyl-
    • UNII-R27I33AIDT
    • EINECS 202-437-4
    • NSC 41800
    • BRN 0507414
    • CHEBI:39901
    • AI3-22779
    • NSC-41800
    • Aniline, 3,4-dimethyl-
    • R27I33AIDT
    • XYLIDINE, 3,4-
    • DTXCID406308
    • 3,4-XYLIDINE [HSDB]
    • EC 202-437-4
    • 4-12-00-02502 (Beilstein Handbook Reference)
    • XYLIDINE 3,4-DIMETHYLBENZENAMINE
    • Benzenamine,4-dimethyl-
    • XYLIDINE 3,4-DIMETHYLBENZENAMINE [MI]
    • WLN: ZR C1 D1
    • 3,4-dimetylaniline
    • MFCD00007810
    • 3,4-dimethyl aniline
    • 4-Amino-1,2-xylene
    • 3,4-dimethyl-phenylamine
    • 4-AMINO-O-TOLUENE
    • (3,4-dimethylphenyl)amine
    • SCHEMBL33278
    • 3,4-Dimethylaniline, 98%
    • MLS002302996
    • BIDD:GT0847
    • (3,4-dimethyl-phenyl)-amine
    • CHEMBL1230039
    • NSC7099
    • HMS3039N06
    • NSC-7099
    • NSC41800
    • STR00577
    • Tox21_200058
    • STL169144
    • AKOS000119113
    • DB03018
    • PS-4095
    • CAS-95-64-7
    • NCGC00091393-01
    • NCGC00091393-02
    • NCGC00257612-01
    • 34A
    • AC-10833
    • PD007454
    • SMR001307311
    • DB-021935
    • D0670
    • NS00006565
    • EN300-19070
    • 3-ethyl-4-hydroxy-pyrido[1,2-a]pyrimidin-2-one
    • Q4634078
    • 3506D145-E251-4BEA-B1C2-57DE580CBCA1
    • F2190-0465
    • Z104472552
    • 202-437-4

  • Applications

    3,4-Xylidine (CAS 95-64-7) is primarily used as an organic intermediate in the production of dyes and pigments, serving as a precursor to azo dyes and other colorants. It is also used in coatings and inks as a building block for colorants incorporated into finishes and printed media. In polymer and plastics chemistry, it can serve as a starting material for colorant additives and specialty monomers. It is commonly evaluated for use in pharmaceutical and agrochemical syntheses as an intermediate to construct more complex organic molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 758.72
    methanol 856.86
    isopropanol 468.58
    water 8.17
    ethyl acetate 851.53
    n-propanol 618.63
    acetone 1132.73
    n-butanol 482.04
    acetonitrile 1153.59
    DMF 841.74
    toluene 140.83
    isobutanol 300.55
    1,4-dioxane 1282.07
    methyl acetate 873.38
    THF 1850.64
    2-butanone 903.14
    n-pentanol 282.49
    sec-butanol 328.91
    n-hexane 45.63
    ethylene glycol 85.78
    NMP 425.63
    cyclohexane 30.85
    DMSO 772.39
    n-butyl acetate 443.47
    n-octanol 135.15
    chloroform 752.96
    n-propyl acetate 271.79
    acetic acid 407.07
    dichloromethane 584.2
    cyclohexanone 615.09
    propylene glycol 105.77
    isopropyl acetate 303.1
    DMAc 495.7
    2-ethoxyethanol 383.45
    isopentanol 268.95
    n-heptane 52.79
    ethyl formate 511.9
    1,2-dichloroethane 463.82
    n-hexanol 511.5
    2-methoxyethanol 667.0
    isobutyl acetate 137.77
    tetrachloromethane 195.73
    n-pentyl acetate 169.1
    transcutol 386.65
    n-heptanol 193.91
    ethylbenzene 63.91
    MIBK 249.45
    2-propoxyethanol 740.05
    tert-butanol 470.43
    MTBE 513.92
    2-butoxyethanol 291.18
    propionic acid 402.02
    o-xylene 75.26
    formic acid 200.8
    diethyl ether 719.57
    m-xylene 93.04
    p-xylene 76.28
    chlorobenzene 199.37
    dimethyl carbonate 233.52
    n-octane 21.78
    formamide 358.96
    cyclopentanone 1030.19
    2-pentanone 648.39
    anisole 180.88
    cyclopentyl methyl ether 543.39
    gamma-butyrolactone 1035.44
    1-methoxy-2-propanol 476.37
    pyridine 553.65
    3-pentanone 461.0
    furfural 500.93
    n-dodecane 13.75
    diethylene glycol 322.32
    diisopropyl ether 128.52
    tert-amyl alcohol 314.09
    acetylacetone 457.08
    n-hexadecane 15.4
    acetophenone 120.8
    methyl propionate 560.07
    isopentyl acetate 268.81
    trichloroethylene 633.53
    n-nonanol 118.26
    cyclohexanol 192.15
    benzyl alcohol 111.75
    2-ethylhexanol 203.14
    isooctanol 128.93
    dipropyl ether 347.8
    1,2-dichlorobenzene 133.4
    ethyl lactate 85.81
    propylene carbonate 352.18
    n-methylformamide 718.78
    2-pentanol 250.65
    n-pentane 42.48
    1-propoxy-2-propanol 389.44
    1-methoxy-2-propyl acetate 289.88
    2-(2-methoxypropoxy) propanol 125.81
    mesitylene 57.88
    ε-caprolactone 432.41
    p-cymene 53.69
    epichlorohydrin 957.42
    1,1,1-trichloroethane 515.32
    2-aminoethanol 215.44
    morpholine-4-carbaldehyde 520.31
    sulfolane 629.73
    2,2,4-trimethylpentane 19.87
    2-methyltetrahydrofuran 934.73
    n-hexyl acetate 206.14
    isooctane 18.86
    2-(2-butoxyethoxy)ethanol 213.23
    sec-butyl acetate 136.46
    tert-butyl acetate 272.78
    decalin 18.83
    glycerin 139.56
    diglyme 414.23
    acrylic acid 255.3
    isopropyl myristate 71.24
    n-butyric acid 591.47
    acetyl acetate 309.51
    di(2-ethylhexyl) phthalate 55.36
    ethyl propionate 240.36
    nitromethane 1204.13
    1,2-diethoxyethane 306.7
    benzonitrile 167.05
    trioctyl phosphate 52.88
    1-bromopropane 303.27
    gamma-valerolactone 951.66
    n-decanol 90.63
    triethyl phosphate 75.93
    4-methyl-2-pentanol 125.96
    propionitrile 706.27
    vinylene carbonate 323.39
    1,1,2-trichlorotrifluoroethane 310.61
    DMS 129.08
    cumene 48.47
    2-octanol 106.04
    2-hexanone 318.98
    octyl acetate 104.75
    limonene 87.84
    1,2-dimethoxyethane 640.14
    ethyl orthosilicate 77.44
    tributyl phosphate 56.66
    diacetone alcohol 268.18
    N,N-dimethylaniline 103.23
    acrylonitrile 646.98
    aniline 213.48
    1,3-propanediol 341.38
    bromobenzene 187.64
    dibromomethane 407.34
    1,1,2,2-tetrachloroethane 454.65
    2-methyl-cyclohexyl acetate 114.82
    tetrabutyl urea 73.45
    diisobutyl methanol 96.6
    2-phenylethanol 193.79
    styrene 74.07
    dioctyl adipate 72.46
    dimethyl sulfate 258.17
    ethyl butyrate 220.07
    methyl lactate 160.04
    butyl lactate 103.7
    diethyl carbonate 125.62
    propanediol butyl ether 124.63
    triethyl orthoformate 137.19
    p-tert-butyltoluene 59.06
    methyl 4-tert-butylbenzoate 116.83
    morpholine 1077.74
    tert-butylamine 264.23
    n-dodecanol 68.3
    dimethoxymethane 678.09
    ethylene carbonate 320.88
    cyrene 114.22
    2-ethoxyethyl acetate 221.65
    2-ethylhexyl acetate 199.85
    1,2,4-trichlorobenzene 141.85
    4-methylpyridine 460.58
    dibutyl ether 160.07
    2,6-dimethyl-4-heptanol 96.6
    DEF 459.98
    dimethyl isosorbide 232.71
    tetrachloroethylene 318.6
    eugenol 117.53
    triacetin 105.5
    span 80 124.11
    1,4-butanediol 104.27
    1,1-dichloroethane 582.35
    2-methyl-1-pentanol 169.96
    methyl formate 524.85
    2-methyl-1-butanol 250.19
    n-decane 26.16
    butyronitrile 634.4
    3,7-dimethyl-1-octanol 105.52
    1-chlorooctane 94.96
    1-chlorotetradecane 33.78
    n-nonane 26.07
    undecane 18.39
    tert-butylcyclohexane 24.99
    cyclooctane 13.55
    cyclopentanol 303.37
    tetrahydropyran 920.72
    tert-amyl methyl ether 273.18
    2,5,8-trioxanonane 226.72
    1-hexene 162.81
    2-isopropoxyethanol 226.67
    2,2,2-trifluoroethanol 174.0
    methyl butyrate 300.43

    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