3,5-Dimethylaniline

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  • Identifiers

    CAS number
    108-69-0

    Molecular formula
    C8H11N

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 49.43%
    Animal 47.31%
    Phenolic 36.79%
    Leathery 36.07%
    Floral 32.48%
    Dry 30.84%
    Green 29.65%
    Earthy 28.2%
    Spicy 26.36%
    Smoky 26.14%

     

    Flavor
    Woody 31.65%
    Phenolic 30.77%
    Plastic 28.86%
    Medicinal 24.56%
    Leather 23.07%
    Flat 21.44%
    Guaiacol 20.77%
    Gravy 20.23%
    Very strong 19.95%
    Indole 19.93%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor threshold in air= 1.00X10+12 molecules/cc /Xylidines/
    • Low threshold= 0.0240 mg/cu m; High threshold= 0.0240 mg/cu m. /Xylidine/

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.63 (neutral)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 49.6 °F (NTP, 1992)
    • 9.8 °C

    Boiling point

    • 428 to 430 °F at 760 mmHg (NTP, 1992)
    • 220.5 °C
    • 220 °C

    Flash point

    • 99.73 ˚C est.
    • 200 °F (NTP, 1992)
    • 97 °C (206 °F) (Closed cup)
    • 93 °C

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Sol in ether, carbon tetrachloride; slightly soluble in water
    • Solubility in water, g/100ml at 20 °C: 0.48

  • Synonyms

    • 3,5-Dimethylaniline
    • 108-69-0
    • 3,5-XYLIDINE
    • Benzenamine, 3,5-dimethyl-
    • 1-Amino-3,5-dimethylbenzene
    • 3,5-Xylylamine
    • 3,5-Dimethylphenylamine
    • 3,5-Xylidene
    • 5-Amino-1,3-xylene
    • 3,5-Dimethylbenzenamine
    • 3,5-Dimethylbenzeneamine
    • 5-Amino-1,3-dimethylbenzene
    • 5-Amino-m-xylene
    • CCRIS 4742
    • HSDB 2096
    • Benzene, 1-amino-3,5-dimethyl-
    • EINECS 203-607-0
    • 3,5dimethylaniline
    • MFCD00007813
    • NSC 26880
    • UNII-1418BR6T2H
    • DTXSID8026309
    • 3,5-dimethyl-aniline
    • NSC-26880
    • 3,5-XYLIDENE-
    • XYLIDENE, 3,5-
    • DTXCID806309
    • 3,5-XYLIDINE [HSDB]
    • EC 203-607-0
    • 1418BR6T2H
    • XYLIDINE 3,5-DIMETHYLBENZENAMINE
    • aniline, 3,5-dimethyl-
    • XYLIDINE 3,5-DIMETHYLBENZENAMINE [MI]
    • 3,5-dimethyl aniline
    • 3,5-DMA cpd
    • 5Aminomxylene
    • m-xylidin
    • 3,5Xylylamine
    • 5Amino1,3xylene
    • NSC26880
    • 3,5 dimethylaniline
    • 3.5-dimethylaniline
    • 3, 5-dimethylaniline
    • 3,5Dimethylbenzenamine
    • 3,5Dimethylphenylamine
    • 3,5Dimethylbenzeneamine
    • 1Amino3,5dimethylbenzene
    • 3,5Dimethyl1aminobenzene
    • 5Amino1,3dimethylbenzene
    • 3,5-dimethyl-phenylamine
    • Benzenamine, 3,5dimethyl
    • Benzene, 1amino3,5dimethyl
    • SCHEMBL33318
    • 3,5-Dimethylaniline, 98%
    • MLS002302997
    • WLN: ZR C1 E1
    • 3,5DMA
    • CHEMBL1603782
    • HMS3039G12
    • STR00834
    • Tox21_200232
    • 3,5-DIMETHYL-1-AMINOBENZENE
    • STL168889
    • AKOS000119347
    • CS-W001076
    • PS-3011
    • NCGC00091402-01
    • NCGC00091402-02
    • NCGC00257786-01
    • AC-10848
    • CAS-108-69-0
    • SMR001307312
    • DB-022096
    • D0671
    • NS00008073
    • EN300-20193
    • 3,5-Dimethylaniline, technical, >=97.0% (GC)
    • Q27251562
    • F2190-0467
    • Z104477214
    • 203-607-0

  • Applications

    3,5-Dimethylaniline (CAS 108-69-0) is primarily used as an intermediate in the production of dyes and pigments, serving as a starting material for azo dye synthesis for textiles, inks, and coatings; it also functions as a building block for pharmaceutical and agrochemical intermediates, enabling downstream synthesis of specialty chemicals; in the polymers and plastics sector, it is used as a colorant precursor and as a building block for functional additives in polymer formulations; additionally, it is used in general industrial synthesis at a small scale as a reagent for research and development of fine chemicals, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3778.43
    methanol 4162.5
    isopropanol 2274.18
    water 28.6
    ethyl acetate 2101.69
    n-propanol 2492.22
    acetone 4551.34
    n-butanol 2054.71
    acetonitrile 4066.06
    DMF 1435.48
    toluene 454.52
    isobutanol 1331.74
    1,4-dioxane 3393.47
    methyl acetate 1973.58
    THF 6703.0
    2-butanone 2035.76
    n-pentanol 1107.89
    sec-butanol 1332.31
    n-hexane 422.86
    ethylene glycol 445.17
    NMP 1128.52
    cyclohexane 359.66
    DMSO 2147.49
    n-butyl acetate 1207.52
    n-octanol 387.85
    chloroform 1056.12
    n-propyl acetate 722.05
    acetic acid 2132.24
    dichloromethane 1056.38
    cyclohexanone 1908.79
    propylene glycol 442.33
    isopropyl acetate 908.5
    DMAc 671.88
    2-ethoxyethanol 1041.05
    isopentanol 1087.91
    n-heptane 326.23
    ethyl formate 1301.4
    1,2-dichloroethane 909.22
    n-hexanol 1798.6
    2-methoxyethanol 2224.01
    isobutyl acetate 371.82
    tetrachloromethane 285.73
    n-pentyl acetate 408.89
    transcutol 1123.63
    n-heptanol 438.72
    ethylbenzene 121.99
    MIBK 740.26
    2-propoxyethanol 2061.63
    tert-butanol 1801.35
    MTBE 1495.4
    2-butoxyethanol 582.63
    propionic acid 1375.16
    o-xylene 157.24
    formic acid 933.04
    diethyl ether 3319.07
    m-xylene 302.9
    p-xylene 158.99
    chlorobenzene 420.43
    dimethyl carbonate 483.65
    n-octane 80.29
    formamide 1032.41
    cyclopentanone 2767.9
    2-pentanone 2001.55
    anisole 321.85
    cyclopentyl methyl ether 2183.27
    gamma-butyrolactone 2823.22
    1-methoxy-2-propanol 1320.41
    pyridine 1055.04
    3-pentanone 1122.03
    furfural 1102.47
    n-dodecane 47.25
    diethylene glycol 952.41
    diisopropyl ether 584.75
    tert-amyl alcohol 927.91
    acetylacetone 1328.53
    n-hexadecane 53.33
    acetophenone 195.15
    methyl propionate 1329.75
    isopentyl acetate 724.73
    trichloroethylene 999.92
    n-nonanol 297.17
    cyclohexanol 1066.27
    benzyl alcohol 244.72
    2-ethylhexanol 614.62
    isooctanol 279.63
    dipropyl ether 1146.98
    1,2-dichlorobenzene 219.44
    ethyl lactate 189.33
    propylene carbonate 1000.71
    n-methylformamide 1593.96
    2-pentanol 1090.09
    n-pentane 473.86
    1-propoxy-2-propanol 1028.84
    1-methoxy-2-propyl acetate 763.38
    2-(2-methoxypropoxy) propanol 241.83
    mesitylene 154.8
    ε-caprolactone 1279.03
    p-cymene 110.77
    epichlorohydrin 2206.44
    1,1,1-trichloroethane 892.15
    2-aminoethanol 857.64
    morpholine-4-carbaldehyde 1182.09
    sulfolane 1565.35
    2,2,4-trimethylpentane 96.97
    2-methyltetrahydrofuran 3629.67
    n-hexyl acetate 569.16
    isooctane 100.23
    2-(2-butoxyethoxy)ethanol 447.6
    sec-butyl acetate 331.58
    tert-butyl acetate 807.65
    decalin 76.18
    glycerin 440.63
    diglyme 852.82
    acrylic acid 894.51
    isopropyl myristate 168.44
    n-butyric acid 1676.79
    acetyl acetate 830.84
    di(2-ethylhexyl) phthalate 123.16
    ethyl propionate 546.99
    nitromethane 3568.02
    1,2-diethoxyethane 836.27
    benzonitrile 405.46
    trioctyl phosphate 127.65
    1-bromopropane 926.47
    gamma-valerolactone 2306.08
    n-decanol 218.94
    triethyl phosphate 151.63
    4-methyl-2-pentanol 436.0
    propionitrile 1735.5
    vinylene carbonate 759.83
    1,1,2-trichlorotrifluoroethane 611.12
    DMS 295.6
    cumene 80.09
    2-octanol 256.66
    2-hexanone 823.12
    octyl acetate 247.42
    limonene 248.15
    1,2-dimethoxyethane 1538.96
    ethyl orthosilicate 161.27
    tributyl phosphate 147.71
    diacetone alcohol 715.74
    N,N-dimethylaniline 149.81
    acrylonitrile 1327.99
    aniline 516.31
    1,3-propanediol 1259.51
    bromobenzene 358.3
    dibromomethane 926.98
    1,1,2,2-tetrachloroethane 651.96
    2-methyl-cyclohexyl acetate 289.5
    tetrabutyl urea 164.33
    diisobutyl methanol 263.5
    2-phenylethanol 385.63
    styrene 155.4
    dioctyl adipate 169.41
    dimethyl sulfate 455.68
    ethyl butyrate 546.54
    methyl lactate 351.82
    butyl lactate 214.61
    diethyl carbonate 265.15
    propanediol butyl ether 315.1
    triethyl orthoformate 312.87
    p-tert-butyltoluene 121.72
    methyl 4-tert-butylbenzoate 198.06
    morpholine 3484.07
    tert-butylamine 1111.57
    n-dodecanol 168.41
    dimethoxymethane 1935.48
    ethylene carbonate 813.34
    cyrene 221.41
    2-ethoxyethyl acetate 518.78
    2-ethylhexyl acetate 527.48
    1,2,4-trichlorobenzene 242.96
    4-methylpyridine 976.91
    dibutyl ether 508.04
    2,6-dimethyl-4-heptanol 263.5
    DEF 1029.38
    dimethyl isosorbide 454.54
    tetrachloroethylene 453.19
    eugenol 195.82
    triacetin 241.84
    span 80 274.37
    1,4-butanediol 400.67
    1,1-dichloroethane 1098.88
    2-methyl-1-pentanol 565.51
    methyl formate 1434.04
    2-methyl-1-butanol 988.89
    n-decane 89.25
    butyronitrile 2034.14
    3,7-dimethyl-1-octanol 292.92
    1-chlorooctane 246.91
    1-chlorotetradecane 90.05
    n-nonane 103.61
    undecane 62.15
    tert-butylcyclohexane 92.09
    cyclooctane 118.98
    cyclopentanol 1477.09
    tetrahydropyran 3723.49
    tert-amyl methyl ether 817.34
    2,5,8-trioxanonane 442.04
    1-hexene 850.43
    2-isopropoxyethanol 583.59
    2,2,2-trifluoroethanol 543.7
    methyl butyrate 694.29

    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