N-Methylaniline

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  • Identifiers

    CAS number
    100-61-8

    Molecular formula
    C7H9N

    SMILES
    CNC1=CC=CC=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fishy 40.59%
    Sweet 38.9%
    Floral 38.42%
    Animal 35.83%
    Cheesy 34.74%
    Burnt 30.57%
    Sulfurous 30.21%
    Meaty 29.99%
    Phenolic 28.46%
    Ripe 28.28%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 1.6 [mmHg]. Odor Threshold High: 2.0 [mmHg]. Odor threshold from AIHA

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.59 (weak acid)

    Molecular weight
    107.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -71 °F (NTP, 1992)
    • -57 °C
    • -71 °F

    Boiling point

    • 385.3 °F at 760 mmHg (NTP, 1992)
    • 196.25 °C
    • 194-196 °C
    • 385.3 °F
    • 384 °F

    Flash point est.
    67.2 ˚C

    Flash point expt.

    • 175 °F (NTP, 1992)
    • 175 °F
    • 175 °F CC
    • 79.5 °C c.c.

    Solubility expt.

    • 1 to 5 mg/mL at 70.7 °F (NTP, 1992)
    • SOL IN ETHANOL, ETHER, CARBON TETRACHLORIDE
    • 5624 mg/l @ 25 °C
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • N-METHYLANILINE
    • 100-61-8
    • Methylaniline
    • Benzenamine, N-methyl-
    • N-Methyl aniline
    • Monomethylaniline
    • Methylphenylamine
    • N-Methylbenzenamine
    • N-Monomethylaniline
    • Aniline, N-methyl-
    • N-Phenylmethylamine
    • (Methylamino)benzene
    • N-Methylaminobenzene
    • Anilinomethane
    • N-Methylphenylamine
    • Monomethyl aniline
    • Benzeneamine, N-methyl-
    • methyl-phenyl-amine
    • NSC 3502
    • CCRIS 2870
    • N-Methyl-N-phenylamine
    • HSDB 1654
    • EINECS 202-870-9
    • UNII-TH45GK410O
    • UN2294
    • DTXSID9021841
    • CHEBI:15733
    • AI3-19498
    • ANILINE,N-METHYL
    • NSC-3502
    • METHYLANILINE [MI]
    • DTXCID301841
    • TH45GK410O
    • EC 202-870-9
    • UN 2294
    • (methylamino) benzene
    • MFCD00008283
    • Methylanilines
    • N-metylaniline
    • N-Methlaniline
    • N-methyl-aniline
    • NMethylbenzenamine
    • NMethylphenylamine
    • NMonomethylaniline
    • NPhenylmethylamine
    • Aniline, Nmethyl
    • NMethylaminobenzene
    • methyl(phenyl)amine
    • methyl-phenyl amine
    • n-methylphenyl amine
    • N-methyl phenylamine
    • N-methyl-benzenamine
    • Benzeneamine, Nmethyl
    • N-Methylanilinium ion
    • N-methyl-phenyl-amine
    • n-phenyl-n-methylamine
    • N-Methylaniline, 98%
    • N-Methylaniline (ACGIH)
    • N-Methyl-N-phenylamine #
    • Monomethyl aniline (OSHA)
    • N-Methylaniline, >=99%
    • SCHEMBL4454
    • WLN: 1MR
    • METHYLANILINE (MONO)
    • MLS002415757
    • BIDD:ER0250
    • BIDD:GT0230
    • Benzenamine, N-methyl-(9CI)
    • CHEMBL170781
    • SCHEMBL1415355
    • CHEBI:25275
    • NSC3502
    • HMS3039I05
    • N-Methylaniline, analytical standard
    • Tox21_200298
    • STL183283
    • AKOS000119086
    • BENZENEAMINE,N-METHYL-(9 CI)
    • FM37894
    • RP10006
    • N-Methylaniline [UN2294] [Poison]
    • NCGC00091265-01
    • NCGC00091265-02
    • NCGC00257852-01
    • AS-12865
    • BP-31133
    • CAS-100-61-8
    • SMR001370917
    • N-Methylaniline, purum, >=98.0% (GC)
    • M0147
    • NS00010869
    • EN300-19055
    • C02299
    • Q1959597
    • F2190-0405
    • Z104472478
    • 1MR

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1348.9
    methanol 1049.18
    isopropanol 980.26
    water 2.55
    ethyl acetate 1640.96
    n-propanol 1138.05
    acetone 2322.67
    n-butanol 1035.37
    acetonitrile 2035.63
    DMF 1736.67
    toluene 505.64
    isobutanol 758.38
    1,4-dioxane 2571.87
    methyl acetate 1443.77
    THF 2657.86
    2-butanone 1482.84
    n-pentanol 628.08
    sec-butanol 794.45
    n-hexane 198.87
    ethylene glycol 181.53
    NMP 1489.58
    cyclohexane 218.19
    DMSO 2702.29
    n-butyl acetate 1064.69
    n-octanol 233.16
    chloroform 3113.55
    n-propyl acetate 822.41
    acetic acid 1215.43
    dichloromethane 2702.7
    cyclohexanone 1756.33
    propylene glycol 238.33
    isopropyl acetate 649.99
    DMAc 958.56
    2-ethoxyethanol 663.13
    isopentanol 643.62
    n-heptane 164.24
    ethyl formate 1001.37
    1,2-dichloroethane 1618.2
    n-hexanol 717.12
    2-methoxyethanol 1119.05
    isobutyl acetate 417.92
    tetrachloromethane 679.38
    n-pentyl acetate 364.95
    transcutol 1164.66
    n-heptanol 250.15
    ethylbenzene 158.67
    MIBK 536.23
    2-propoxyethanol 886.53
    tert-butanol 952.1
    MTBE 916.63
    2-butoxyethanol 389.86
    propionic acid 1075.72
    o-xylene 219.56
    formic acid 264.65
    diethyl ether 1598.45
    m-xylene 243.58
    p-xylene 210.93
    chlorobenzene 768.73
    dimethyl carbonate 363.46
    n-octane 58.63
    formamide 453.45
    cyclopentanone 2117.72
    2-pentanone 1247.38
    anisole 425.4
    cyclopentyl methyl ether 1176.67
    gamma-butyrolactone 2212.21
    1-methoxy-2-propanol 780.1
    pyridine 1624.33
    3-pentanone 886.91
    furfural 1341.26
    n-dodecane 39.19
    diethylene glycol 467.81
    diisopropyl ether 305.85
    tert-amyl alcohol 662.11
    acetylacetone 933.35
    n-hexadecane 43.26
    acetophenone 333.64
    methyl propionate 1008.9
    isopentyl acetate 569.94
    trichloroethylene 2372.85
    n-nonanol 195.44
    cyclohexanol 690.83
    benzyl alcohol 288.23
    2-ethylhexanol 345.9
    isooctanol 193.71
    dipropyl ether 720.09
    1,2-dichlorobenzene 489.97
    ethyl lactate 222.28
    propylene carbonate 977.3
    n-methylformamide 1033.14
    2-pentanol 599.35
    n-pentane 185.73
    1-propoxy-2-propanol 627.93
    1-methoxy-2-propyl acetate 524.28
    2-(2-methoxypropoxy) propanol 246.68
    mesitylene 150.03
    ε-caprolactone 1291.49
    p-cymene 120.01
    epichlorohydrin 1988.2
    1,1,1-trichloroethane 1719.12
    2-aminoethanol 385.65
    morpholine-4-carbaldehyde 1268.59
    sulfolane 2057.65
    2,2,4-trimethylpentane 72.47
    2-methyltetrahydrofuran 2057.76
    n-hexyl acetate 432.34
    isooctane 65.23
    2-(2-butoxyethoxy)ethanol 392.78
    sec-butyl acetate 371.11
    tert-butyl acetate 563.31
    decalin 79.96
    glycerin 304.18
    diglyme 790.28
    acrylic acid 779.25
    isopropyl myristate 155.65
    n-butyric acid 1505.2
    acetyl acetate 712.31
    di(2-ethylhexyl) phthalate 112.7
    ethyl propionate 594.59
    nitromethane 2418.48
    1,2-diethoxyethane 712.8
    benzonitrile 534.34
    trioctyl phosphate 104.95
    1-bromopropane 1236.42
    gamma-valerolactone 1936.34
    n-decanol 151.15
    triethyl phosphate 156.27
    4-methyl-2-pentanol 255.93
    propionitrile 1208.33
    vinylene carbonate 882.09
    1,1,2-trichlorotrifluoroethane 988.51
    DMS 275.06
    cumene 105.78
    2-octanol 171.6
    2-hexanone 751.82
    octyl acetate 203.41
    limonene 218.91
    1,2-dimethoxyethane 1196.99
    ethyl orthosilicate 154.36
    tributyl phosphate 127.72
    diacetone alcohol 522.95
    N,N-dimethylaniline 221.06
    acrylonitrile 1355.13
    aniline 633.95
    1,3-propanediol 618.2
    bromobenzene 816.87
    dibromomethane 1988.63
    1,1,2,2-tetrachloroethane 1749.34
    2-methyl-cyclohexyl acetate 257.96
    tetrabutyl urea 169.92
    diisobutyl methanol 185.08
    2-phenylethanol 289.11
    styrene 273.47
    dioctyl adipate 187.47
    dimethyl sulfate 539.65
    ethyl butyrate 632.75
    methyl lactate 315.47
    butyl lactate 223.9
    diethyl carbonate 316.09
    propanediol butyl ether 270.23
    triethyl orthoformate 302.56
    p-tert-butyltoluene 118.11
    methyl 4-tert-butylbenzoate 228.7
    morpholine 2440.28
    tert-butylamine 571.19
    n-dodecanol 122.83
    dimethoxymethane 1088.08
    ethylene carbonate 830.09
    cyrene 267.89
    2-ethoxyethyl acetate 407.12
    2-ethylhexyl acetate 444.49
    1,2,4-trichlorobenzene 529.57
    4-methylpyridine 1377.45
    dibutyl ether 432.06
    2,6-dimethyl-4-heptanol 185.08
    DEF 1197.78
    dimethyl isosorbide 449.32
    tetrachloroethylene 1176.99
    eugenol 222.26
    triacetin 278.67
    span 80 256.33
    1,4-butanediol 234.07
    1,1-dichloroethane 1911.55
    2-methyl-1-pentanol 400.62
    methyl formate 785.47
    2-methyl-1-butanol 629.57
    n-decane 66.68
    butyronitrile 1249.32
    3,7-dimethyl-1-octanol 207.5
    1-chlorooctane 210.96
    1-chlorotetradecane 83.62
    n-nonane 73.76
    undecane 49.14
    tert-butylcyclohexane 83.52
    cyclooctane 80.9
    cyclopentanol 881.87
    tetrahydropyran 2334.47
    tert-amyl methyl ether 526.63
    2,5,8-trioxanonane 472.06
    1-hexene 580.14
    2-isopropoxyethanol 431.36
    2,2,2-trifluoroethanol 358.87
    methyl butyrate 859.35

    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