alpha-Methylbenzylamine

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  • Identifiers

    CAS number
    618-36-0

    Molecular formula
    C8H11N

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 47.28%
    Cheesy 31.29%
    Animal 29.79%
    Floral 25.7%
    Ripe 25.15%
    Sweet 23.28%
    Burnt 22.54%
    Meaty 21.35%
    Musty 21.24%
    Odorless 21.11%

     

    Flavor
    Fishy 25.97%
    Meaty 24.5%
    Ammoniacal 24.06%
    Sulfurous 22.37%
    Floral 21.51%
    Mild 20.96%
    Creosote 19.87%
    Toluene 19.74%
    Glue 19.66%
    Skunky 19.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.22 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -65 °C
    • < 25 °C

    Boiling point

    • 188.5 °C

    Flash point

    • 77.79 ˚C est.
    • 79.4 °C
    • 175 °F (79 °C) OC

    Solubility expt.

    • SOL IN MOST ORG SOLVENTS & HYDROCARBONS
    • 42 mg/L at 20 °C

  • Synonyms

    • 1-Phenylethanamine
    • 1-Phenylethylamine
    • 618-36-0
    • ALPHA-METHYLBENZYLAMINE
    • DL-alpha-Methylbenzylamine
    • alpha-Phenylethylamine
    • 1-Phenethylamine
    • alpha-Aminoethylbenzene
    • 1-Amino-1-phenylethane
    • 1-phenylethan-1-amine
    • 98-84-0
    • DL-1-Phenylethylamine
    • alpha-Methylbenzenemethanamine
    • alpha-Phenethylamine
    • 1-Fenylethylamin
    • Sumine 2079
    • Ethanamine, 1-phenyl-
    • Ethylamine, 1-phenyl-
    • a-methylbenzylamine
    • Benzenemethanamine, .alpha.-methyl-
    • a-phenylethylamine
    • 1-Phenyl-ethylamine
    • Benzene, (1-amino-ethyl)-
    • Benzylamine, .alpha.-methyl-
    • (1-Aminoethyl)benzene
    • .alpha.-Phenethylamine
    • .alpha.-Phenylethylamine
    • .alpha.-Methylbenzylamine
    • 1-Fenylethylamin [Czech]
    • HZ9DM6B2MT
    • Benzylamine, alpha-methyl-
    • DL-a-methylbenzyla
    • CHEBI:670
    • dl-a-methylbenzylamine
    • Benzenemethanamine, alpha-methyl-
    • HSDB 2742
    • Benzenemethaneamine, alpha-methyl-
    • a-methylbenzenemethanamine
    • NSC 8391
    • NSC-8391
    • EINECS 202-706-6
    • EINECS 210-545-8
    • Benzenemethaneamine, .alpha.-methyl-
    • MFCD00008069
    • AI3-03116
    • CHEMBL278059
    • Benzenemethanamine, .alpha.-methyl-, (S)-
    • 1-PHENETHYLAMINE [HSDB]
    • .ALPHA.-AMINOETHYLBENZENE
    • EC 210-545-8
    • (S)-.alpha.-Methylbenzenemethanamine
    • (+/-)-.ALPHA.-PHENETHYLAMINE
    • .ALPHA.-METHYLBENZENEMETHANAMINE
    • .ALPHA.-METHYLBENZYLAMINE [MI]
    • (R,S)-.ALPHA. METHYLBENZYLAMINE
    • (+/-)-.ALPHA.-PHENYLETHYLAMINE
    • Benzenemethanamine, .alpha.-methyl-, (R)-
    • benzene, (1-aminoethyl)-
    • (S)-alpha-methyl benzylamine
    • UNII-HZ9DM6B2MT
    • (S)-(-)-a-methyl-benzylamine
    • Benzenemethanamine, a-methyl-
    • 1Fenylethylamin
    • a-phenethylamine
    • (S)-(-)-.alpha.-Methylbenzylamine
    • 1Phenylethanamine
    • 1Phenylethylamine
    • Benzenemethanamine, a-methyl-; 1-Phenylethanamine; a-Phenylethylamine
    • l-phenylethylamine
    • alphaPhenethylamine
    • a-aminoethylbenzene
    • 1Amino1phenylethane
    • alphaPhenylethylamine
    • 1-phenylethyl amine
    • phenylethan-1-amine
    • 1-Phenyl ethylamine
    • Ethanamine, 1phenyl
    • Ethylamine, 1phenyl
    • alphaAminoethylbenzene
    • DL-1-phenethylamine
    • alpha-methylbezylamine
    • (1-phenylethyl)amine
    • 1-phenyl-ethyl-amine
    • 1-Phenylethanamine #
    • rac-1-phenylethanamine
    • dl-1-phenylethyl amine
    • 1-Phenyl-1-ethanamine
    • alpha-methyl benzylamine
    • alpha-methyl-benzylamine
    • alpha-methylbenzyl amine
    • Benzylamine, alphamethyl
    • Benzene, (1aminoethyl)
    • (rs)-1-phenylethylamine
    • 1(r,s)-phenylethylamine
    • (+)-1-phenylethylamine
    • (-)-1-phenylethylamine
    • alpha-methyl benzyl amine
    • DL-alpha-Phenylethylamine
    • (-)alpha-phenylethylamine
    • racemic 1-phenylethanamine
    • racemic 1-phenylethylamine
    • SCHEMBL830
    • (-)-alpha-phenylethylamine
    • alphaMethylbenzenemethanamine
    • (+) alpha-methylbenzylamine
    • (+)-alpha-methylbenzylamine
    • (+)1-phenylethan-1-amine
    • (+/-)-1-phenylethanamine
    • (-)-alpha-methylbenzylamine
    • (+/-)-1-Phenylethylamine
    • (RS)-alpha-methylbenzylamine
    • (-)-.alpha.-Phenethylamine
    • (+)-alpha-methyl-benzylamine
    • (-) alpha-methyl-benzylamine
    • (-)-alpha-methyl-benzylamine
    • WLN: 1M1R
    • (+/-)-1-phenyl-ethanamine
    • (+/-)-1-Phenyl-ethylamine
    • alpha-Methylbenzylamine, 99%
    • racemic alpha-methylbenzylamine
    • Benzenemethanamine, alphamethyl
    • (+/-)-alpha-Phenylethylamine
    • (+)-alpha-methyl benzyl amine
    • (+/-)-1-(phenyl)ethylamine
    • (+/-)-alpha-Methylbenzylamine
    • (-) alpha methyl benzyl amine
    • Benzenemethaneamine, alphamethyl
    • SCHEMBL4701869

  • Applications

    alpha-Methylbenzylamine is a versatile primary amine widely used as a chiral building block and key intermediate in organic synthesis. In industry it is commonly employed as a precursor and resolving agent for forming chiral intermediates and APIs in the pharmaceutical sector; in agrochemicals it serves as a starting point for synthesis of active ingredients and related intermediates; in fragrance and flavor applications it functions as a fragrance intermediate and odorant note for certain scent profiles; it is used in asymmetric synthesis and diastereomeric resolution to access enantiomerically enriched products; and in polymer and coatings chemistry it can be used as a reactive amine to prepare amine-functional monomers for polyurethanes and other materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1413.05
    methanol 1342.51
    isopropanol 841.5
    water 5.2
    ethyl acetate 1112.39
    n-propanol 1032.99
    acetone 2117.55
    n-butanol 837.04
    acetonitrile 1758.62
    DMF 1254.59
    toluene 243.24
    isobutanol 613.24
    1,4-dioxane 1666.27
    methyl acetate 1069.72
    THF 2235.82
    2-butanone 1128.67
    n-pentanol 449.19
    sec-butanol 501.78
    n-hexane 46.91
    ethylene glycol 143.15
    NMP 917.97
    cyclohexane 52.99
    DMSO 2052.28
    n-butyl acetate 797.82
    n-octanol 147.26
    chloroform 1469.11
    n-propyl acetate 500.03
    acetic acid 946.69
    dichloromethane 1227.55
    cyclohexanone 1170.18
    propylene glycol 182.18
    isopropyl acetate 420.66
    DMAc 589.41
    2-ethoxyethanol 476.68
    isopentanol 493.02
    n-heptane 62.77
    ethyl formate 868.59
    1,2-dichloroethane 823.64
    n-hexanol 682.44
    2-methoxyethanol 948.03
    isobutyl acetate 253.84
    tetrachloromethane 287.26
    n-pentyl acetate 214.08
    transcutol 641.06
    n-heptanol 217.69
    ethylbenzene 68.72
    MIBK 348.28
    2-propoxyethanol 820.26
    tert-butanol 743.43
    MTBE 585.73
    2-butoxyethanol 335.28
    propionic acid 826.15
    o-xylene 99.49
    formic acid 334.16
    diethyl ether 912.66
    m-xylene 129.06
    p-xylene 85.62
    chlorobenzene 391.73
    dimethyl carbonate 260.01
    n-octane 21.76
    formamide 469.73
    cyclopentanone 1829.82
    2-pentanone 963.32
    anisole 212.45
    cyclopentyl methyl ether 788.96
    gamma-butyrolactone 1850.75
    1-methoxy-2-propanol 592.7
    pyridine 948.68
    3-pentanone 562.78
    furfural 907.39
    n-dodecane 14.44
    diethylene glycol 429.2
    diisopropyl ether 139.84
    tert-amyl alcohol 397.42
    acetylacetone 686.69
    n-hexadecane 15.77
    acetophenone 167.26
    methyl propionate 701.16
    isopentyl acetate 440.76
    trichloroethylene 1288.8
    n-nonanol 122.56
    cyclohexanol 382.02
    benzyl alcohol 163.78
    2-ethylhexanol 269.92
    isooctanol 152.39
    dipropyl ether 480.16
    1,2-dichlorobenzene 239.96
    ethyl lactate 138.39
    propylene carbonate 728.17
    n-methylformamide 1066.96
    2-pentanol 388.63
    n-pentane 51.56
    1-propoxy-2-propanol 532.99
    1-methoxy-2-propyl acetate 390.59
    2-(2-methoxypropoxy) propanol 151.65
    mesitylene 69.87
    ε-caprolactone 830.25
    p-cymene 65.82
    epichlorohydrin 1420.57
    1,1,1-trichloroethane 783.9
    2-aminoethanol 329.2
    morpholine-4-carbaldehyde 779.56
    sulfolane 1341.06
    2,2,4-trimethylpentane 25.48
    2-methyltetrahydrofuran 1343.34
    n-hexyl acetate 227.32
    isooctane 24.49
    2-(2-butoxyethoxy)ethanol 257.19
    sec-butyl acetate 208.37
    tert-butyl acetate 341.15
    decalin 24.43
    glycerin 236.43
    diglyme 537.99
    acrylic acid 554.43
    isopropyl myristate 78.17
    n-butyric acid 1190.41
    acetyl acetate 456.15
    di(2-ethylhexyl) phthalate 70.24
    ethyl propionate 335.13
    nitromethane 2292.56
    1,2-diethoxyethane 393.26
    benzonitrile 335.14
    trioctyl phosphate 66.77
    1-bromopropane 546.3
    gamma-valerolactone 1508.73
    n-decanol 92.61
    triethyl phosphate 94.51
    4-methyl-2-pentanol 172.44
    propionitrile 965.03
    vinylene carbonate 604.86
    1,1,2-trichlorotrifluoroethane 556.24
    DMS 147.73
    cumene 48.01
    2-octanol 114.56
    2-hexanone 498.52
    octyl acetate 107.22
    limonene 121.22
    1,2-dimethoxyethane 882.12
    ethyl orthosilicate 95.4
    tributyl phosphate 77.87
    diacetone alcohol 347.35
    N,N-dimethylaniline 105.01
    acrylonitrile 959.24
    aniline 359.66
    1,3-propanediol 554.06
    bromobenzene 380.12
    dibromomethane 901.25
    1,1,2,2-tetrachloroethane 818.17
    2-methyl-cyclohexyl acetate 160.93
    tetrabutyl urea 98.82
    diisobutyl methanol 125.56
    2-phenylethanol 219.67
    styrene 103.02
    dioctyl adipate 93.44
    dimethyl sulfate 348.91
    ethyl butyrate 404.74
    methyl lactate 225.43
    butyl lactate 142.36
    diethyl carbonate 192.02
    propanediol butyl ether 181.32
    triethyl orthoformate 194.87
    p-tert-butyltoluene 66.89
    methyl 4-tert-butylbenzoate 134.85
    morpholine 1501.45
    tert-butylamine 388.36
    n-dodecanol 72.54
    dimethoxymethane 812.21
    ethylene carbonate 571.97
    cyrene 153.88
    2-ethoxyethyl acetate 240.36
    2-ethylhexyl acetate 303.82
    1,2,4-trichlorobenzene 255.88
    4-methylpyridine 817.44
    dibutyl ether 193.04
    2,6-dimethyl-4-heptanol 125.56
    DEF 738.22
    dimethyl isosorbide 287.73
    tetrachloroethylene 572.47
    eugenol 135.6
    triacetin 145.03
    span 80 159.73
    1,4-butanediol 171.75
    1,1-dichloroethane 1038.23
    2-methyl-1-pentanol 256.92
    methyl formate 839.05
    2-methyl-1-butanol 433.43
    n-decane 25.46
    butyronitrile 1059.35
    3,7-dimethyl-1-octanol 129.81
    1-chlorooctane 100.04
    1-chlorotetradecane 36.24
    n-nonane 27.23
    undecane 18.42
    tert-butylcyclohexane 29.5
    cyclooctane 19.93
    cyclopentanol 577.32
    tetrahydropyran 1370.71
    tert-amyl methyl ether 286.88
    2,5,8-trioxanonane 293.17
    1-hexene 212.87
    2-isopropoxyethanol 289.73
    2,2,2-trifluoroethanol 298.92
    methyl butyrate 524.89

    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