Benzylamine

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  • Identifiers

    CAS number
    100-46-9

    Molecular formula
    C7H9N

    SMILES
    C1=CC=C(C=C1)CN

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 57.34%
    Cheesy 38.19%
    Ripe 31.75%
    Animal 30.49%
    Sweet 28.58%
    Floral 24.92%
    Burnt 23.02%
    Sulfurous 22.88%
    Musty 22.25%
    Smoky 21.68%

     

    Flavor
    Fishy 37.25%
    Sulfurous 37.07%
    Meaty 32.43%
    Floral 30.38%
    Ammoniacal 29.28%
    Phenolic 28.7%
    Garlic 27.89%
    Sweet 25.53%
    Mild 24.73%
    Horseradish 24.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.27 (weak acid)

    Molecular weight
    107.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -51 °F (USCG, 1999)
    • 10 °C

    Boiling point

    • 364.1 °F at 760 mmHg (USCG, 1999)
    • 185 °C
    • 185.00 °C. @ 760.00 mm Hg

    Flash point

    • 73.93 ˚C est.
    • 168 °F (USCG, 1999)
    • 168 °F
    • 65 °C (149 °F) - closed cup
    • 60 °C

    Solubility expt.

    • 1000000 mg/L (at 20 °C)
    • Miscible in ethanol and diethyl ether. Very soluble in acetone. Soluble in benzene. Slightly soluble in chloroform.
    • In water, 1.00X10+6 mg/L at 20 °C (miscible)
    • 1000 mg/mL at 20 °C
    • Solubility in water: miscible

  • Synonyms

    • BENZYLAMINE
    • phenylmethanamine
    • 100-46-9
    • Benzenemethanamine
    • Monobenzylamine
    • (Phenylmethyl)amine
    • alpha-Aminotoluene
    • (Aminomethyl)benzene
    • 1-phenylmethanamine
    • N-Benzylamine
    • 89551-24-6
    • Moringine
    • Phenylmethylamine
    • Sumine 2005
    • omega-Aminotoluene
    • Sumine 2006
    • Aminotoluene
    • benzyl amine
    • a-Aminotoluene
    • .omega.-Aminotoluene
    • NSC 8046
    • benzyl-amine
    • CHEBI:40538
    • HSDB 2795
    • 1utj
    • 1utn
    • 2bza
    • EINECS 202-854-1
    • UNII-A1O31ROR09
    • MFCD00008106
    • BRN 0741984
    • .alpha.-Aminotoluene
    • A1O31ROR09
    • DTXSID5021839
    • AI3-15299
    • NSC-8046
    • TOLUENE,ALPHA-AMINO
    • CHEMBL522
    • DTXCID201839
    • EC 202-854-1
    • 4-12-00-02155 (Beilstein Handbook Reference)
    • ABN
    • MFCD00145849
    • LACOSAMIDE IMPURITY J (EP IMPURITY)
    • LACOSAMIDE IMPURITY J [EP IMPURITY]
    • benzylarnine
    • bezylamine
    • Benzylamine; 1-Phenylmethanamine; Lacosamide Imp. J (Pharmeuropa)
    • aminomethylbenzene
    • AM resin
    • phenylmethyl amine
    • N-(phenylmethyl)amine
    • BnNH2
    • NH2Bn
    • QuadraPure(TM) BZA
    • Bzl-NH2
    • Benzenemethanamine, 9CI
    • BENZYLAMINE [MI]
    • Benzylamine, reagent grade
    • SCHEMBL373
    • BENZYLAMINE [HSDB]
    • Epitope ID:141489
    • QuadraPure(TM) Benzylamine
    • NCIOpen2_007746
    • laquo Omegaraquo -aminotoluene
    • Benzylamine, analytical standard
    • BDBM10999
    • NSC8046
    • Benzylamine, redistilled from glass
    • SGA75079
    • STR00195
    • Benzylamine, ReagentPlus(R), 99%
    • Tox21_300933
    • MFCD00130502
    • MFCD00135579
    • STL115534
    • AKOS000119096
    • DB02464
    • FA29816
    • FB09449
    • NCGC00166029-01
    • NCGC00166029-02
    • NCGC00254835-01
    • BP-31247
    • CAS-100-46-9
    • B0406
    • NS00009841
    • EN300-16215
    • Benzylamine, for GC derivatization, >=99.0%
    • Benzylamine, purified by redistillation, >=99.5%
    • Q424000
    • BRD-K76133116-001-01-2
    • F2190-0388
    • 3F830B2A-ABAA-4E26-971C-53B1C7485954
    • Aminomethyl polystyrene resin (1.0-1.2 mmol/g, 100-200 mesh)
    • InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H
    • QuadraPure(R) BZA, 400-1100 mum, extent of labeling: 20 mg/g loading, macroporous
    • 202-854-1

  • Applications

    Benzylamine is a versatile primary amine used primarily as an intermediate in the synthesis of pharmaceuticals and agrochemicals, enabling the preparation of benzylic amines and related compounds via reductive amination or N-alkylation. It also serves as a key building block in the production of dyes and pigments through benzylic substitution chemistry, and is employed as a reactive amine in specialty coatings and adhesives as a curing agent or modifier for epoxy resins. In fragrance and flavor chemistry, it functions as a precursor for benzyl-containing aroma compounds, and in polymer and materials chemistry it is used to introduce benzyl functionality into polymers and linkers. Availability is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 817.1
    methanol 935.42
    isopropanol 523.77
    water 7.55
    ethyl acetate 760.52
    n-propanol 630.8
    acetone 1068.46
    n-butanol 564.6
    acetonitrile 1158.39
    DMF 1078.2
    toluene 192.54
    isobutanol 369.09
    1,4-dioxane 1320.94
    methyl acetate 768.19
    THF 1360.75
    2-butanone 735.63
    n-pentanol 287.33
    sec-butanol 303.29
    n-hexane 23.18
    ethylene glycol 118.96
    NMP 768.76
    cyclohexane 35.95
    DMSO 1626.77
    n-butyl acetate 617.8
    n-octanol 87.67
    chloroform 1505.29
    n-propyl acetate 432.03
    acetic acid 1024.67
    dichloromethane 1036.33
    cyclohexanone 883.42
    propylene glycol 105.55
    isopropyl acetate 313.47
    DMAc 531.49
    2-ethoxyethanol 371.52
    isopentanol 324.49
    n-heptane 44.32
    ethyl formate 744.99
    1,2-dichloroethane 679.27
    n-hexanol 409.92
    2-methoxyethanol 730.05
    isobutyl acetate 223.47
    tetrachloromethane 276.07
    n-pentyl acetate 179.59
    transcutol 548.59
    n-heptanol 152.93
    ethylbenzene 54.57
    MIBK 259.01
    2-propoxyethanol 583.72
    tert-butanol 485.28
    MTBE 342.77
    2-butoxyethanol 262.9
    propionic acid 785.97
    o-xylene 86.09
    formic acid 404.7
    diethyl ether 531.39
    m-xylene 97.6
    p-xylene 74.81
    chlorobenzene 382.84
    dimethyl carbonate 224.12
    n-octane 14.63
    formamide 631.76
    cyclopentanone 1260.92
    2-pentanone 640.3
    anisole 178.63
    cyclopentyl methyl ether 548.75
    gamma-butyrolactone 1483.76
    1-methoxy-2-propanol 424.6
    pyridine 959.28
    3-pentanone 380.61
    furfural 974.89
    n-dodecane 9.71
    diethylene glycol 344.23
    diisopropyl ether 87.39
    tert-amyl alcohol 252.52
    acetylacetone 498.06
    n-hexadecane 10.48
    acetophenone 165.29
    methyl propionate 511.45
    isopentyl acetate 325.04
    trichloroethylene 1393.89
    n-nonanol 77.85
    cyclohexanol 297.13
    benzyl alcohol 150.41
    2-ethylhexanol 182.06
    isooctanol 105.7
    dipropyl ether 347.34
    1,2-dichlorobenzene 241.36
    ethyl lactate 124.52
    propylene carbonate 650.5
    n-methylformamide 1013.86
    2-pentanol 257.89
    n-pentane 28.22
    1-propoxy-2-propanol 400.97
    1-methoxy-2-propyl acetate 309.75
    2-(2-methoxypropoxy) propanol 114.36
    mesitylene 51.68
    ε-caprolactone 690.88
    p-cymene 51.37
    epichlorohydrin 1158.15
    1,1,1-trichloroethane 696.24
    2-aminoethanol 250.22
    morpholine-4-carbaldehyde 730.44
    sulfolane 1173.87
    2,2,4-trimethylpentane 14.95
    2-methyltetrahydrofuran 860.4
    n-hexyl acetate 159.68
    isooctane 15.02
    2-(2-butoxyethoxy)ethanol 197.13
    sec-butyl acetate 175.76
    tert-butyl acetate 261.28
    decalin 15.41
    glycerin 199.41
    diglyme 459.96
    acrylic acid 599.1
    isopropyl myristate 55.01
    n-butyric acid 1081.77
    acetyl acetate 362.88
    di(2-ethylhexyl) phthalate 50.53
    ethyl propionate 270.88
    nitromethane 2221.48
    1,2-diethoxyethane 311.77
    benzonitrile 312.92
    trioctyl phosphate 48.92
    1-bromopropane 386.71
    gamma-valerolactone 1286.72
    n-decanol 57.82
    triethyl phosphate 86.36
    4-methyl-2-pentanol 117.18
    propionitrile 697.08
    vinylene carbonate 592.91
    1,1,2-trichlorotrifluoroethane 598.7
    DMS 127.65
    cumene 35.41
    2-octanol 75.74
    2-hexanone 346.68
    octyl acetate 76.22
    limonene 89.39
    1,2-dimethoxyethane 659.38
    ethyl orthosilicate 84.35
    tributyl phosphate 56.7
    diacetone alcohol 269.94
    N,N-dimethylaniline 91.69
    acrylonitrile 893.69
    aniline 338.93
    1,3-propanediol 436.78
    bromobenzene 361.47
    dibromomethane 695.63
    1,1,2,2-tetrachloroethane 868.1
    2-methyl-cyclohexyl acetate 135.55
    tetrabutyl urea 73.65
    diisobutyl methanol 87.61
    2-phenylethanol 180.4
    styrene 93.04
    dioctyl adipate 72.53
    dimethyl sulfate 335.35
    ethyl butyrate 374.29
    methyl lactate 207.58
    butyl lactate 119.32
    diethyl carbonate 189.56
    propanediol butyl ether 124.42
    triethyl orthoformate 181.34
    p-tert-butyltoluene 52.08
    methyl 4-tert-butylbenzoate 117.17
    morpholine 1237.02
    tert-butylamine 231.14
    n-dodecanol 45.44
    dimethoxymethane 598.55
    ethylene carbonate 551.19
    cyrene 134.11
    2-ethoxyethyl acetate 199.66
    2-ethylhexyl acetate 234.51
    1,2,4-trichlorobenzene 263.09
    4-methylpyridine 748.75
    dibutyl ether 128.77
    2,6-dimethyl-4-heptanol 87.61
    DEF 603.66
    dimethyl isosorbide 233.43
    tetrachloroethylene 652.61
    eugenol 119.65
    triacetin 125.43
    span 80 121.22
    1,4-butanediol 130.48
    1,1-dichloroethane 824.64
    2-methyl-1-pentanol 168.29
    methyl formate 747.01
    2-methyl-1-butanol 283.57
    n-decane 16.42
    butyronitrile 746.19
    3,7-dimethyl-1-octanol 78.36
    1-chlorooctane 61.1
    1-chlorotetradecane 23.65
    n-nonane 16.73
    undecane 12.13
    tert-butylcyclohexane 17.54
    cyclooctane 13.02
    cyclopentanol 431.27
    tetrahydropyran 938.26
    tert-amyl methyl ether 177.5
    2,5,8-trioxanonane 241.24
    1-hexene 107.99
    2-isopropoxyethanol 223.02
    2,2,2-trifluoroethanol 365.71
    methyl butyrate 441.76

    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