o-Toluidine

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  • Identifiers

    CAS number
    95-53-4

    Molecular formula
    C7H9N

    SMILES
    CC1=CC=CC=C1N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 45.57%
    Phenolic 44.36%
    Animal 43.92%
    Floral 42.44%
    Musty 32.83%
    Smoky 32.15%
    Leathery 31.28%
    Burnt 29.82%
    Medicinal 27.25%
    Fishy 27.03%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.02 [mmHg]. Odor Threshold High: 6.6 [mmHg]. Odor threshold from AIHA

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    107.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 2.7 °F (NTP, 1992)
    • -14.41 °C
    • Melting point: -23.7 °C (alpha form); -14.7 °C (beta form)
    • -16.3 °C
    • -16 °C (beta-form)
    • 2.7 °F
    • 6 °F

    Boiling point

    • 392 to 396 °F at 760 mmHg (NTP, 1992)
    • 200.3 °C
    • 200 °C
    • 392 °F

    Flash point est.
    82.28 ˚C

    Flash point expt.

    • 185 °F (NTP, 1992)
    • 185 °F
    • 185 °F (85 °C) (Closed cup)
    • 85 °C c.c.

    Solubility expt.

    • 5 to 10 mg/mL at 59 °F (NTP, 1992)
    • Soluble in alcohol and ether
    • Miscible in ethanol, diethyl ether, carbon tetrachloride
    • Soluble in dilute acids
    • In water, 1.66X10+4 mg/L at 25 °C
    • 16.6 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 1.62 (poor)
    • 2%

  • Synonyms

    • o-Toluidine
    • 2-Methylaniline
    • 95-53-4
    • 2-Toluidine
    • o-Tolylamine
    • 2-Methylbenzenamine
    • o-Methylaniline
    • ortho-toluidine
    • 2-AMINOTOLUENE
    • 2-Methyl-1-aminobenzene
    • o-Aminotoluene
    • o-Methylbenzenamine
    • Benzenamine, 2-methyl-
    • 1-Amino-2-methylbenzene
    • 2-Amino-1-methylbenzene
    • o-Toluidin
    • o-Toluidyna
    • 1-Methyl-2-aminobenzene
    • ortho Toluidine
    • Aniline, 2-methyl-
    • 2-Methylbenzamine
    • RCRA waste number U328
    • 2-methyl-aniline
    • 2-methylphenylamine
    • Benzenamine, methyl-
    • o-Toluidin [Czech]
    • 2-Toluidine-d7
    • CCRIS 597
    • NSC 15348
    • o-Toluidyna [Polish]
    • DTXSID1026164
    • HSDB 2042
    • o-Toluide
    • 2-tolylamine
    • UNII-B635MZ0ZLU
    • C.I. 37077
    • EINECS 202-429-0
    • B635MZ0ZLU
    • CHEBI:66892
    • AI3-24383
    • MFCD00007730
    • NSC-15348
    • DTXCID206164
    • EC 202-429-0
    • NSC15348
    • O-TOLUIDINE-D3 (METHYL-D3)
    • 121536-13-8
    • O-Toluidin (CZECH)
    • O-Toluidyna (POLISH)
    • ORTHO-TOLUIDINE (IARC)
    • ORTHO-TOLUIDINE [IARC]
    • 68408-22-0
    • CAS-95-53-4
    • PRILOCAINE IMPURITY B (EP IMPURITY)
    • PRILOCAINE IMPURITY B [EP IMPURITY]
    • RCRA waste no. U328
    • ortho-tolylamine
    • o-tolyl-amine
    • 2-amino toluene
    • 2 -methylaniline
    • 2-methyl aniline
    • 2-(methyl)aniline
    • 51V
    • o-Toluidine, liquid
    • 2-methyl-benzenamine
    • o-Toluidine, 98%
    • o-Toluidine, >=99%
    • TOLUIDINE (ORTHO)
    • O-TOLUIDINE [MI]
    • O-TOLUIDINE(1%)
    • CHEMBL1381
    • WLN: ZR B1
    • SCHEMBL15789
    • o-Toluidine, liquid or solid
    • MLS002415766
    • 2-Aminotoluene (o-toluidine)
    • BIDD:ER0679
    • 2-AMINOTOLUENE [HSDB]
    • o-Toluidine, analytical standard
    • O-Toluidine (ACD/Name 4.0)
    • o-Toluidine, p.a., 99.5%
    • 2-Methylbenzenamine (o-Toluidine)
    • HMS3039B11
    • BCP17522
    • STR00213
    • Tox21_201256
    • Tox21_300179
    • STL163331
    • 2-Methylphenylamine (ACD/Name 4.0)
    • AKOS000119109
    • o-Toluidine 500 microg/mL in Methanol
    • NCGC00091368-01
    • NCGC00091368-02
    • NCGC00091368-03
    • NCGC00091368-04
    • NCGC00253986-01
    • NCGC00258808-01
    • o-Toluidine 10 microg/mL in Cyclohexane
    • BP-21341
    • CI 37077
    • SMR001370921
    • o-Toluidine 100 microg/mL in Cyclohexane
    • NS00008265
    • o-Toluidine, SAJ special grade, >=99.0%
    • T0299
    • EN300-33459
    • o-Toluidine, purum p.a., >=99.5% (GC)
    • Q311695
    • o-Toluidine, liquid or solid [UN1708] [Poison]
    • Z57127943
    • F2190-0418
    • PRILOCAINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
    • InChI=1/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H
    • 202-429-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 862.25
    methanol 1432.82
    isopropanol 399.44
    water 19.64
    ethyl acetate 1046.15
    n-propanol 686.36
    acetone 592.42
    n-butanol 622.42
    acetonitrile 991.01
    DMF 625.87
    toluene 125.01
    isobutanol 291.66
    1,4-dioxane 911.02
    methyl acetate 748.27
    THF 1195.72
    2-butanone 627.91
    n-pentanol 348.96
    sec-butanol 315.26
    n-hexane 32.63
    ethylene glycol 94.94
    NMP 362.24
    cyclohexane 22.15
    DMSO 496.86
    n-butyl acetate 695.0
    n-octanol 98.91
    chloroform 1100.7
    n-propyl acetate 381.36
    acetic acid 803.78
    dichloromethane 854.68
    cyclohexanone 510.15
    propylene glycol 101.44
    isopropyl acetate 394.13
    DMAc 460.13
    2-ethoxyethanol 490.05
    isopentanol 358.44
    n-heptane 43.82
    ethyl formate 748.56
    1,2-dichloroethane 467.0
    n-hexanol 432.48
    2-methoxyethanol 787.56
    isobutyl acetate 169.12
    tetrachloromethane 204.09
    n-pentyl acetate 222.59
    transcutol 825.15
    n-heptanol 182.61
    ethylbenzene 33.94
    MIBK 225.88
    2-propoxyethanol 687.09
    tert-butanol 391.48
    MTBE 439.22
    2-butoxyethanol 324.6
    propionic acid 565.31
    o-xylene 60.32
    formic acid 545.76
    diethyl ether 844.25
    m-xylene 67.29
    p-xylene 48.26
    chlorobenzene 205.87
    dimethyl carbonate 197.11
    n-octane 14.2
    formamide 828.2
    cyclopentanone 668.59
    2-pentanone 589.28
    anisole 137.16
    cyclopentyl methyl ether 393.95
    gamma-butyrolactone 939.6
    1-methoxy-2-propanol 421.63
    pyridine 549.31
    3-pentanone 388.28
    furfural 610.83
    n-dodecane 7.3
    diethylene glycol 320.66
    diisopropyl ether 130.21
    tert-amyl alcohol 288.42
    acetylacetone 380.71
    n-hexadecane 7.9
    acetophenone 107.17
    methyl propionate 574.06
    isopentyl acetate 364.18
    trichloroethylene 797.33
    n-nonanol 91.11
    cyclohexanol 180.41
    benzyl alcohol 108.11
    2-ethylhexanol 194.75
    isooctanol 120.22
    dipropyl ether 409.09
    1,2-dichlorobenzene 141.69
    ethyl lactate 90.5
    propylene carbonate 404.76
    n-methylformamide 899.39
    2-pentanol 288.43
    n-pentane 39.04
    1-propoxy-2-propanol 431.75
    1-methoxy-2-propyl acetate 374.4
    2-(2-methoxypropoxy) propanol 126.0
    mesitylene 36.14
    ε-caprolactone 458.13
    p-cymene 41.26
    epichlorohydrin 757.92
    1,1,1-trichloroethane 454.42
    2-aminoethanol 275.84
    morpholine-4-carbaldehyde 495.55
    sulfolane 446.29
    2,2,4-trimethylpentane 16.49
    2-methyltetrahydrofuran 627.29
    n-hexyl acetate 188.65
    isooctane 15.26
    2-(2-butoxyethoxy)ethanol 254.75
    sec-butyl acetate 173.94
    tert-butyl acetate 301.67
    decalin 10.45
    glycerin 154.25
    diglyme 514.93
    acrylic acid 363.1
    isopropyl myristate 58.36
    n-butyric acid 1034.43
    acetyl acetate 392.68
    di(2-ethylhexyl) phthalate 45.51
    ethyl propionate 266.44
    nitromethane 1462.73
    1,2-diethoxyethane 588.67
    benzonitrile 197.29
    trioctyl phosphate 41.11
    1-bromopropane 313.74
    gamma-valerolactone 805.45
    n-decanol 64.72
    triethyl phosphate 84.96
    4-methyl-2-pentanol 137.41
    propionitrile 693.37
    vinylene carbonate 410.99
    1,1,2-trichlorotrifluoroethane 341.68
    DMS 107.73
    cumene 28.04
    2-octanol 86.59
    2-hexanone 304.52
    octyl acetate 82.64
    limonene 68.05
    1,2-dimethoxyethane 691.59
    ethyl orthosilicate 96.29
    tributyl phosphate 57.7
    diacetone alcohol 231.85
    N,N-dimethylaniline 69.82
    acrylonitrile 665.6
    aniline 230.92
    1,3-propanediol 458.88
    bromobenzene 171.78
    dibromomethane 539.27
    1,1,2,2-tetrachloroethane 489.92
    2-methyl-cyclohexyl acetate 121.82
    tetrabutyl urea 66.89
    diisobutyl methanol 87.71
    2-phenylethanol 166.24
    styrene 50.85
    dioctyl adipate 64.67
    dimethyl sulfate 176.04
    ethyl butyrate 375.74
    methyl lactate 159.36
    butyl lactate 121.45
    diethyl carbonate 180.19
    propanediol butyl ether 128.81
    triethyl orthoformate 206.58
    p-tert-butyltoluene 39.81
    methyl 4-tert-butylbenzoate 94.42
    morpholine 882.62
    tert-butylamine 235.35
    n-dodecanol 45.42
    dimethoxymethane 628.7
    ethylene carbonate 385.5
    cyrene 92.05
    2-ethoxyethyl acetate 290.35
    2-ethylhexyl acetate 270.38
    1,2,4-trichlorobenzene 143.72
    4-methylpyridine 444.17
    dibutyl ether 167.74
    2,6-dimethyl-4-heptanol 87.71
    DEF 547.95
    dimethyl isosorbide 222.91
    tetrachloroethylene 391.63
    eugenol 105.42
    triacetin 105.34
    span 80 109.7
    1,4-butanediol 133.84
    1,1-dichloroethane 565.86
    2-methyl-1-pentanol 227.57
    methyl formate 532.79
    2-methyl-1-butanol 324.31
    n-decane 14.76
    butyronitrile 691.26
    3,7-dimethyl-1-octanol 86.68
    1-chlorooctane 56.1
    1-chlorotetradecane 18.23
    n-nonane 14.21
    undecane 9.68
    tert-butylcyclohexane 14.64
    cyclooctane 9.3
    cyclopentanol 237.69
    tetrahydropyran 690.19
    tert-amyl methyl ether 251.85
    2,5,8-trioxanonane 254.13
    1-hexene 122.88
    2-isopropoxyethanol 257.32
    2,2,2-trifluoroethanol 271.49
    methyl butyrate 372.34

    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