Aniline

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  • Identifiers

    CAS number
    62-53-3

    Molecular formula
    C6H7N

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 59.34%
    Floral 58.14%
    Animal 40.06%
    Phenolic 35.76%
    Woody 29.96%
    Fishy 29.2%
    Honey 28.55%
    Musty 27.96%
    Rose 27.21%
    Oily 25.79%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.58 [mmHg]. Odor Threshold High: 10.0 [mmHg]. Detection odor threshold from AIHA (mean = 2.4 ppm)
    • Its aromatic or fishy odor can generally be perceived at 1 ppm which is below established occupational safety limits (OSHA PEL-TWA is 5 ppm), and thus, odor usually provides an adequate indication of hazardous concentrations.
    • Human odor perception: Nonperception: 0.34 mg/cu m, Perception: 0.37 mg/cu m
    • 0.58 - 10 ppm
    • Recognition threshold 1.00 ppm (medium: air; modality: odor; sample purity: chemically pure)
    • Low threshold = 0.0002 mg/cu m High threshold = 350.0 mg/cu m

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.94 (weak acid)

    Molecular weight
    93.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 21 °F (EPA, 1998)
    • -6 °C
    • -6.0 °C
    • 21 °F

    Boiling point

    • 363 to 367 °F at 760 mmHg (EPA, 1998)
    • 184.1 °C
    • 184.00 to 185.00 °C. @ 760.00 mm Hg
    • 184 °C
    • 363 °F

    Flash point est.
    73.3 ˚C

    Flash point expt.

    • 158 °F (EPA, 1998)
    • 70 °C
    • 70 °C (158 °F) - closed cup
    • 169 °F (76 °C) - Closed cup
    • 76 °C c.c.
    • 158 °F

    Solubility expt.

    • 10 to 50 mg/mL at 73 °F (NTP, 1992)
    • 36000 mg/L (at 25 °C)
    • In water, 36,000 mg/L at 25 °C
    • 3.5 parts/100 parts water at 25 °C; 6.4 parts/100 parts water at 90 °C
    • One gram dissolves in 28.6 mL water, 15.7 mL boiling water
    • Soluble in water
    • For more Solubility (Complete) data for Aniline (8 total), please visit the HSDB record page.
    • 36 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 3.4
    • 4%

  • Synonyms

    • ANILINE
    • Benzenamine
    • Phenylamine
    • 62-53-3
    • Aminobenzene
    • Aminophen
    • Arylamine
    • Kyanol
    • Anilin
    • Cyanol
    • Benzeneamine
    • Krystallin
    • Benzidam
    • Anyvim
    • Anilina
    • Huile D'aniline
    • C.I. Oxidation Base 1
    • Rcra waste number U012
    • CI Oxidation Base 1
    • Caswell No. 051C
    • Anilinum
    • C.I. 76000
    • HSDB 43
    • ANILINE-N,N-D2
    • CCRIS 44
    • NCI-C03736
    • Aniline and homologues
    • Aniline reagent
    • UN 1547
    • CHEBI:17296
    • UNII-SIR7XX2F1K
    • SIR7XX2F1K
    • EINECS 200-539-3
    • MFCD00007629
    • EPA Pesticide Chemical Code 251400
    • Aniline-1-13C
    • CI 76000
    • DTXSID8020090
    • AI3-03053
    • DTXCID9090
    • EC 200-539-3
    • Benzene, amino
    • Anilin [Czech]
    • ANILINE (IARC)
    • ANILINE [IARC]
    • ANILINE (MART.)
    • ANILINE [MART.]
    • ANILINE (USP-RS)
    • ANILINE [USP-RS]
    • Huile d'aniline [French]
    • ANILINE (USP IMPURITY)
    • ANILINE [USP IMPURITY]
    • Phenyleneamine
    • D'aniline
    • RCRA waste no. U012
    • Anilina [Italian, Polish]
    • FENTANYL IMPURITY F (EP IMPURITY)
    • FENTANYL IMPURITY F [EP IMPURITY]
    • Aniline and homologs
    • MESALAZINE IMPURITY K (EP IMPURITY)
    • MESALAZINE IMPURITY K [EP IMPURITY]
    • TRIMETHOPRIM IMPURITY K (EP IMPURITY)
    • TRIMETHOPRIM IMPURITY K [EP IMPURITY]
    • UN1547
    • benzenaminium
    • cyanole
    • BIDD:ER0581
    • phenyl amine
    • phenyl-amine
    • 8-aniline
    • Benzene, amino-
    • Fentanyl impurity F
    • Aniline;Aminobenzene
    • PhNH2
    • Aniline, ACS Grade
    • ANILINUM [HPUS]
    • ANILINE [HSDB]
    • ANILINE [MI]
    • ANILINE [WHO-DD]
    • CHEMBL538
    • Epitope ID:117704
    • Aniline, analytical standard
    • Aniline, AR, >=99%
    • Aniline, LR, >=99%
    • C6H5NH2
    • Discontinued, see H924510
    • Aniline, 99.5%, ACS grade
    • BDBM92572
    • Trimethoprim specified impurity K
    • Aniline, ReagentPlus(R), 99%
    • BENZENE,AMINO (ANILINE)
    • DTXSID50207744
    • DTXSID70178043
    • Aniline [UN1547] [Poison]
    • BAA12259
    • STR00216
    • Aniline, ACS reagent, >=99.5%
    • Tox21_200345
    • Aniline 10 microg/mL in Cyclohexane
    • STK301792
    • AKOS000268796
    • Aniline 100 microg/mL in Cyclohexane
    • DB06728
    • FA07686
    • NCI 176889
    • Aniline, ASTM, ACS reagent, 99.5%
    • Aniline, SAJ first grade, >=99.0%
    • CAS-62-53-3
    • Aniline, JIS special grade, >=99.0%
    • Aniline, p.a., ACS reagent, 99.0%
    • NCGC00091297-01
    • NCGC00091297-02
    • NCGC00091297-03
    • NCGC00257899-01
    • BP-12047
    • Aniline, PESTANAL(R), analytical standard
    • DB-013441
    • A0463
    • NS00010656
    • EN300-33390
    • C00292
    • SBI-0653858.0001
    • A833829
    • AMINOBENZOIC ACID IMPURITY C [EP IMPURITY]
    • Q186414
    • SR-01000944923
    • SR-01000944923-1
    • Q27121173

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2316.21
    methanol 2727.06
    isopropanol 887.22
    water 23.79
    ethyl acetate 2001.63
    n-propanol 1377.35
    acetone 2398.14
    n-butanol 1127.64
    acetonitrile 1386.29
    DMF 1428.01
    toluene 145.14
    isobutanol 494.06
    1,4-dioxane 1425.09
    methyl acetate 1350.86
    THF 2202.16
    2-butanone 1399.42
    n-pentanol 681.51
    sec-butanol 601.89
    n-hexane 53.5
    ethylene glycol 253.11
    NMP 920.54
    cyclohexane 34.42
    DMSO 1452.06
    n-butyl acetate 1200.19
    n-octanol 134.43
    chloroform 1083.79
    n-propyl acetate 772.34
    acetic acid 2009.3
    dichloromethane 659.74
    cyclohexanone 912.39
    propylene glycol 283.18
    isopropyl acetate 662.76
    DMAc 856.39
    2-ethoxyethanol 895.43
    isopentanol 499.96
    n-heptane 68.17
    ethyl formate 1103.21
    1,2-dichloroethane 430.57
    n-hexanol 677.97
    2-methoxyethanol 1649.92
    isobutyl acetate 299.08
    tetrachloromethane 150.99
    n-pentyl acetate 304.49
    transcutol 1131.8
    n-heptanol 239.08
    ethylbenzene 28.12
    MIBK 352.0
    2-propoxyethanol 1167.4
    tert-butanol 579.34
    MTBE 488.64
    2-butoxyethanol 475.09
    propionic acid 1301.14
    o-xylene 52.68
    formic acid 965.78
    diethyl ether 1424.86
    m-xylene 69.7
    p-xylene 43.91
    chlorobenzene 189.69
    dimethyl carbonate 304.69
    n-octane 16.84
    formamide 1376.54
    cyclopentanone 1476.69
    2-pentanone 1290.45
    anisole 165.23
    cyclopentyl methyl ether 724.87
    gamma-butyrolactone 1894.26
    1-methoxy-2-propanol 929.73
    pyridine 796.72
    3-pentanone 712.63
    furfural 942.42
    n-dodecane 9.08
    diethylene glycol 539.77
    diisopropyl ether 174.02
    tert-amyl alcohol 358.29
    acetylacetone 849.46
    n-hexadecane 9.68
    acetophenone 140.23
    methyl propionate 1255.63
    isopentyl acetate 480.03
    trichloroethylene 740.81
    n-nonanol 119.5
    cyclohexanol 336.3
    benzyl alcohol 150.17
    2-ethylhexanol 260.13
    isooctanol 138.01
    dipropyl ether 706.73
    1,2-dichlorobenzene 103.15
    ethyl lactate 178.5
    propylene carbonate 696.46
    n-methylformamide 1834.55
    2-pentanol 542.29
    n-pentane 62.8
    1-propoxy-2-propanol 779.1
    1-methoxy-2-propyl acetate 540.99
    2-(2-methoxypropoxy) propanol 140.71
    mesitylene 31.87
    ε-caprolactone 803.87
    p-cymene 37.92
    epichlorohydrin 1115.25
    1,1,1-trichloroethane 401.54
    2-aminoethanol 668.09
    morpholine-4-carbaldehyde 902.27
    sulfolane 884.35
    2,2,4-trimethylpentane 17.22
    2-methyltetrahydrofuran 1165.26
    n-hexyl acetate 254.89
    isooctane 15.66
    2-(2-butoxyethoxy)ethanol 302.34
    sec-butyl acetate 307.48
    tert-butyl acetate 372.12
    decalin 10.55
    glycerin 345.61
    diglyme 633.12
    acrylic acid 806.57
    isopropyl myristate 68.29
    n-butyric acid 1877.16
    acetyl acetate 644.58
    di(2-ethylhexyl) phthalate 49.22
    ethyl propionate 504.82
    nitromethane 3290.6
    1,2-diethoxyethane 694.58
    benzonitrile 241.76
    trioctyl phosphate 47.73
    1-bromopropane 336.53
    gamma-valerolactone 1523.08
    n-decanol 83.71
    triethyl phosphate 94.29
    4-methyl-2-pentanol 176.99
    propionitrile 885.59
    vinylene carbonate 564.23
    1,1,2-trichlorotrifluoroethane 589.47
    DMS 152.99
    cumene 21.32
    2-octanol 106.8
    2-hexanone 615.28
    octyl acetate 106.12
    limonene 73.11
    1,2-dimethoxyethane 1028.13
    ethyl orthosilicate 97.43
    tributyl phosphate 70.01
    diacetone alcohol 342.53
    N,N-dimethylaniline 70.14
    acrylonitrile 874.06
    aniline 307.31
    1,3-propanediol 975.85
    bromobenzene 134.56
    dibromomethane 445.52
    1,1,2,2-tetrachloroethane 522.65
    2-methyl-cyclohexyl acetate 152.43
    tetrabutyl urea 86.21
    diisobutyl methanol 101.75
    2-phenylethanol 207.46
    styrene 49.31
    dioctyl adipate 79.59
    dimethyl sulfate 289.12
    ethyl butyrate 615.41
    methyl lactate 343.12
    butyl lactate 176.64
    diethyl carbonate 227.5
    propanediol butyl ether 207.07
    triethyl orthoformate 268.13
    p-tert-butyltoluene 36.91
    methyl 4-tert-butylbenzoate 96.92
    morpholine 1623.82
    tert-butylamine 289.51
    n-dodecanol 60.46
    dimethoxymethane 1166.94
    ethylene carbonate 572.31
    cyrene 109.05
    2-ethoxyethyl acetate 390.36
    2-ethylhexyl acetate 357.84
    1,2,4-trichlorobenzene 120.09
    4-methylpyridine 594.7
    dibutyl ether 252.23
    2,6-dimethyl-4-heptanol 101.75
    DEF 1021.56
    dimethyl isosorbide 223.89
    tetrachloroethylene 403.79
    eugenol 109.13
    triacetin 156.84
    span 80 138.75
    1,4-butanediol 280.65
    1,1-dichloroethane 608.37
    2-methyl-1-pentanol 320.49
    methyl formate 1041.67
    2-methyl-1-butanol 451.04
    n-decane 18.46
    butyronitrile 1008.92
    3,7-dimethyl-1-octanol 110.99
    1-chlorooctane 67.0
    1-chlorotetradecane 21.04
    n-nonane 18.62
    undecane 12.11
    tert-butylcyclohexane 13.09
    cyclooctane 11.89
    cyclopentanol 534.04
    tetrahydropyran 1236.2
    tert-amyl methyl ether 299.05
    2,5,8-trioxanonane 282.49
    1-hexene 213.14
    2-isopropoxyethanol 455.05
    2,2,2-trifluoroethanol 466.59
    methyl butyrate 671.64

    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

Botanical

Name CAS Botanical Proportion
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%