2,4-Dimethylbenzylamine

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  • Identifiers

    CAS number
    94-98-4

    Molecular formula
    C9H13N

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 43.26%
    Fishy 36.5%
    Floral 34.95%
    Phenolic 29.44%
    Smoky 26.41%
    Leathery 26.31%
    Cheesy 25.99%
    Musty 24.72%
    Burnt 23.78%
    Meaty 23.22%

     

    Flavor
    Phenolic 42.61%
    Meaty 35.14%
    Medicinal 33.44%
    Roasted 24.93%
    Sulfurous 24.69%
    Mild 24.68%
    Smoky 22.99%
    Flat 22.38%
    Guaiacol 21.87%
    Woody 21.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.96 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 95.35 ˚C est.

  • Synonyms

    • 2,4-Dimethylbenzylamine
    • 94-98-4
    • (2,4-Dimethylphenyl)methanamine
    • Benzenemethanamine, 2,4-dimethyl-
    • 2,4-dimethylbenzenemethanamine
    • TQZ4VS5TJQ
    • MFCD00025575
    • DTXSID0059114
    • 1-(2,4-dimethylphenyl)methanamine
    • Benzylamine, 2,4-dimethyl-
    • EINECS 202-380-5
    • UNII-TQZ4VS5TJQ
    • 2,4-Dimethyl benzylamine
    • SCHEMBL96044
    • DTXCID1048912
    • AAA09498
    • (2,4-dimethyl-phenyl)-methyl-amine
    • AKOS000128923
    • CS-W001690
    • GS-3494
    • SB75411
    • SY002790
    • DB-025404
    • D4525
    • NS00040429
    • EN300-33146
    • S10923
    • Z239626330
    • 202-380-5

  • Applications

    2,4-Dimethylbenzylamine (CAS 94-98-4) is principally used as an organic synthesis intermediate and building block, with practical applications including the preparation of pharmaceutical and agrochemical compounds, serving as a precursor in fragrance and flavor chemistry, and acting as a functional building block in polymer or plastics development; in materials and coatings, it may be used as a curing agent or reactive component in epoxy resin systems for coatings and adhesives, and it is commonly evaluated for research and development of specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 937.08
    methanol 474.8
    isopropanol 516.46
    water 2.52
    ethyl acetate 813.75
    n-propanol 814.07
    acetone 1386.82
    n-butanol 608.79
    acetonitrile 1918.46
    DMF 829.76
    toluene 241.89
    isobutanol 412.58
    1,4-dioxane 1781.5
    methyl acetate 793.59
    THF 2569.38
    2-butanone 819.39
    n-pentanol 275.13
    sec-butanol 308.4
    n-hexane 30.59
    ethylene glycol 63.7
    NMP 639.24
    cyclohexane 69.74
    DMSO 1160.05
    n-butyl acetate 747.98
    n-octanol 136.46
    chloroform 1334.72
    n-propyl acetate 332.67
    acetic acid 715.68
    dichloromethane 1792.7
    cyclohexanone 1056.4
    propylene glycol 77.94
    isopropyl acetate 296.03
    DMAc 307.01
    2-ethoxyethanol 329.69
    isopentanol 298.69
    n-heptane 92.03
    ethyl formate 967.51
    1,2-dichloroethane 1012.48
    n-hexanol 617.72
    2-methoxyethanol 804.12
    isobutyl acetate 162.93
    tetrachloromethane 297.59
    n-pentyl acetate 201.15
    transcutol 540.48
    n-heptanol 193.57
    ethylbenzene 62.69
    MIBK 211.26
    2-propoxyethanol 756.06
    tert-butanol 528.16
    MTBE 398.06
    2-butoxyethanol 263.97
    propionic acid 489.73
    o-xylene 97.51
    formic acid 200.45
    diethyl ether 753.64
    m-xylene 129.64
    p-xylene 84.35
    chlorobenzene 364.99
    dimethyl carbonate 163.82
    n-octane 24.22
    formamide 404.94
    cyclopentanone 1633.4
    2-pentanone 638.1
    anisole 162.01
    cyclopentyl methyl ether 688.34
    gamma-butyrolactone 2038.94
    1-methoxy-2-propanol 404.84
    pyridine 962.85
    3-pentanone 402.13
    furfural 790.73
    n-dodecane 15.91
    diethylene glycol 291.5
    diisopropyl ether 117.6
    tert-amyl alcohol 259.83
    acetylacetone 485.06
    n-hexadecane 18.34
    acetophenone 116.58
    methyl propionate 526.16
    isopentyl acetate 397.28
    trichloroethylene 1336.23
    n-nonanol 110.01
    cyclohexanol 310.87
    benzyl alcohol 112.81
    2-ethylhexanol 250.72
    isooctanol 122.74
    dipropyl ether 513.23
    1,2-dichlorobenzene 229.72
    ethyl lactate 84.81
    propylene carbonate 657.24
    n-methylformamide 915.35
    2-pentanol 239.14
    n-pentane 43.78
    1-propoxy-2-propanol 457.98
    1-methoxy-2-propyl acetate 371.76
    2-(2-methoxypropoxy) propanol 113.94
    mesitylene 76.03
    ε-caprolactone 726.75
    p-cymene 82.74
    epichlorohydrin 1742.75
    1,1,1-trichloroethane 843.93
    2-aminoethanol 197.86
    morpholine-4-carbaldehyde 612.37
    sulfolane 1078.57
    2,2,4-trimethylpentane 22.03
    2-methyltetrahydrofuran 1540.24
    n-hexyl acetate 218.11
    isooctane 18.51
    2-(2-butoxyethoxy)ethanol 197.98
    sec-butyl acetate 135.18
    tert-butyl acetate 261.83
    decalin 23.69
    glycerin 105.78
    diglyme 466.55
    acrylic acid 349.45
    isopropyl myristate 75.98
    n-butyric acid 870.76
    acetyl acetate 364.85
    di(2-ethylhexyl) phthalate 65.1
    ethyl propionate 223.92
    nitromethane 1993.89
    1,2-diethoxyethane 395.77
    benzonitrile 262.29
    trioctyl phosphate 62.97
    1-bromopropane 575.39
    gamma-valerolactone 1510.52
    n-decanol 82.42
    triethyl phosphate 96.92
    4-methyl-2-pentanol 102.89
    propionitrile 938.51
    vinylene carbonate 570.15
    1,1,2-trichlorotrifluoroethane 394.8
    DMS 135.05
    cumene 45.91
    2-octanol 94.96
    2-hexanone 284.68
    octyl acetate 105.7
    limonene 154.3
    1,2-dimethoxyethane 668.82
    ethyl orthosilicate 98.01
    tributyl phosphate 69.02
    diacetone alcohol 233.68
    N,N-dimethylaniline 79.63
    acrylonitrile 899.86
    aniline 286.17
    1,3-propanediol 405.28
    bromobenzene 365.03
    dibromomethane 1082.49
    1,1,2,2-tetrachloroethane 708.48
    2-methyl-cyclohexyl acetate 157.58
    tetrabutyl urea 85.34
    diisobutyl methanol 112.23
    2-phenylethanol 179.06
    styrene 82.8
    dioctyl adipate 90.13
    dimethyl sulfate 212.93
    ethyl butyrate 362.05
    methyl lactate 117.9
    butyl lactate 111.8
    diethyl carbonate 194.31
    propanediol butyl ether 129.1
    triethyl orthoformate 207.48
    p-tert-butyltoluene 83.55
    methyl 4-tert-butylbenzoate 127.77
    morpholine 1905.35
    tert-butylamine 292.78
    n-dodecanol 63.05
    dimethoxymethane 678.67
    ethylene carbonate 572.73
    cyrene 126.53
    2-ethoxyethyl acetate 245.23
    2-ethylhexyl acetate 287.03
    1,2,4-trichlorobenzene 234.76
    4-methylpyridine 650.19
    dibutyl ether 190.44
    2,6-dimethyl-4-heptanol 112.23
    DEF 483.63
    dimethyl isosorbide 268.99
    tetrachloroethylene 478.67
    eugenol 110.33
    triacetin 121.68
    span 80 125.29
    1,4-butanediol 87.17
    1,1-dichloroethane 999.04
    2-methyl-1-pentanol 148.16
    methyl formate 800.88
    2-methyl-1-butanol 278.2
    n-decane 28.58
    butyronitrile 928.78
    3,7-dimethyl-1-octanol 101.05
    1-chlorooctane 111.78
    1-chlorotetradecane 38.98
    n-nonane 29.29
    undecane 20.81
    tert-butylcyclohexane 24.0
    cyclooctane 24.76
    cyclopentanol 501.8
    tetrahydropyran 1546.16
    tert-amyl methyl ether 200.6
    2,5,8-trioxanonane 237.99
    1-hexene 117.68
    2-isopropoxyethanol 180.14
    2,2,2-trifluoroethanol 202.82
    methyl butyrate 349.83

    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