2-Methoxyphenethylamine

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  • Identifiers

    CAS number
    2045-79-6

    Molecular formula
    C9H13NO

    SMILES
    COC1=CC=CC=C1CCN

  • Odor profile

    Fragrance
    Fishy 51.56%
    Cheesy 43.8%
    Animal 36.26%
    Meaty 31.68%
    Ripe 31.09%
    Smoky 29.1%
    Phenolic 27.31%
    Burnt 25.93%
    Savory 25.09%
    Roasted 24.73%

     

    Flavor
    Sweet 53.45%
    Phenolic 45.74%
    Spicy 44.74%
    Meaty 41.26%
    Mild 34.46%
    Floral 32.93%
    Medicinal 31.54%
    Smoky 28.77%
    Spice 27.91%
    Roasted 27.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.66 (weak acid)

    Molecular weight
    151.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 106.35 ˚C est.

  • Synonyms

    • 2-Methoxyphenethylamine
    • 2045-79-6
    • 2-(2-Methoxyphenyl)ethylamine
    • 2-(2-Methoxyphenyl)ethanamine
    • Benzeneethanamine, 2-methoxy-
    • 2-(2-Methoxy-phenyl)-ethylamine
    • 2-(2-Methoxyphenyl)Ethan-1-Amine
    • o-methoxyphenethylamine
    • A87YWS9XM3
    • 2-methoxyphenylethylamine
    • MFCD00008186
    • CHEMBL100635
    • 2-METHOXYBENZENEETHANAMINE
    • PHENETHYLAMINE, O-METHOXY-
    • ortho-methoxyphenethylamine
    • 2-(2-Aminoethyl)anisole
    • UNII-A87YWS9XM3
    • (2-methoxybenzyl)methylamine
    • 2-(Methoxy)benzeneethanamine
    • 2-(o-Methoxyphenyl)ethylamine
    • SCHEMBL305943
    • 2-Methoxyphenethylamine, 98%
    • 2- (2-methoxyphenyl)ethylamine
    • 2-(2-methoxyphenyl)-ethylamine
    • WSWPCNMLEVZGSM-UHFFFAOYSA-
    • [2-(2-Methoxyphenyl)ethyl]amine
    • 2-(2-Methoxyphenyl)ethanamine #
    • 2-[2-(methyloxy)phenyl]ethanamine
    • CAA04579
    • BBL027693
    • BDBM50104825
    • STL281178
    • AKOS000200579
    • AC-6605
    • benzene, 1-(2-aminoethyl)-2-methoxy-
    • VS-08578
    • CS-0007550
    • M0844
    • EN300-21175
    • 2-Methoxyphenethylamine, technical grade, 92%
    • F2190-0397
    • InChI=1/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3

  • Applications

    2-Methoxyphenethylamine (CAS 2045-79-6) is primarily used as a synthetic building block in pharmaceutical research, serving as a precursor for the preparation of related phenethylamine derivatives, including compounds studied for CNS activity. In the fragrance and cosmetics sectors, it may serve as an odor-active precursor or fragrance ingredient for perfume formulations and personal care products. In industrial manufacturing, it can function as a reactive amine intermediate in coatings and adhesives formulations, and as a starting material for specialty chemicals used in polymers and plastics. It may also be encountered in materials science research as a building block for advanced polymers. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 347.68
    methanol 483.69
    isopropanol 158.6
    water 6.37
    ethyl acetate 123.26
    n-propanol 219.49
    acetone 245.19
    n-butanol 154.75
    acetonitrile 349.75
    DMF 407.74
    toluene 72.72
    isobutanol 134.16
    1,4-dioxane 449.33
    methyl acetate 153.15
    THF 399.58
    2-butanone 137.07
    n-pentanol 111.68
    sec-butanol 109.35
    n-hexane 6.93
    ethylene glycol 208.61
    NMP 329.58
    cyclohexane 23.02
    DMSO 954.98
    n-butyl acetate 117.95
    n-octanol 61.83
    chloroform 922.35
    n-propyl acetate 95.18
    acetic acid 526.51
    dichloromethane 1297.34
    cyclohexanone 271.44
    propylene glycol 129.32
    isopropyl acetate 56.93
    DMAc 212.28
    2-ethoxyethanol 244.37
    isopentanol 99.34
    n-heptane 17.86
    ethyl formate 235.91
    1,2-dichloroethane 533.32
    n-hexanol 138.57
    2-methoxyethanol 411.59
    isobutyl acetate 57.84
    tetrachloromethane 151.9
    n-pentyl acetate 63.1
    transcutol 309.85
    n-heptanol 70.33
    ethylbenzene 38.3
    MIBK 57.21
    2-propoxyethanol 243.37
    tert-butanol 168.68
    MTBE 82.57
    2-butoxyethanol 129.79
    propionic acid 234.38
    o-xylene 50.72
    formic acid 259.1
    diethyl ether 98.33
    m-xylene 47.87
    p-xylene 46.48
    chlorobenzene 193.08
    dimethyl carbonate 77.42
    n-octane 7.79
    formamide 318.39
    cyclopentanone 339.91
    2-pentanone 95.82
    anisole 102.47
    cyclopentyl methyl ether 123.05
    gamma-butyrolactone 489.86
    1-methoxy-2-propanol 191.65
    pyridine 338.54
    3-pentanone 76.44
    furfural 472.79
    n-dodecane 7.51
    diethylene glycol 278.31
    diisopropyl ether 22.52
    tert-amyl alcohol 103.29
    acetylacetone 129.38
    n-hexadecane 8.38
    acetophenone 103.52
    methyl propionate 109.54
    isopentyl acetate 88.65
    trichloroethylene 880.28
    n-nonanol 53.19
    cyclohexanol 115.72
    benzyl alcohol 116.76
    2-ethylhexanol 78.99
    isooctanol 54.22
    dipropyl ether 83.43
    1,2-dichlorobenzene 186.65
    ethyl lactate 76.0
    propylene carbonate 273.64
    n-methylformamide 336.95
    2-pentanol 64.82
    n-pentane 8.64
    1-propoxy-2-propanol 135.99
    1-methoxy-2-propyl acetate 102.71
    2-(2-methoxypropoxy) propanol 94.1
    mesitylene 33.95
    ε-caprolactone 217.98
    p-cymene 44.06
    epichlorohydrin 555.97
    1,1,1-trichloroethane 345.89
    2-aminoethanol 242.81
    morpholine-4-carbaldehyde 343.05
    sulfolane 602.31
    2,2,4-trimethylpentane 8.06
    2-methyltetrahydrofuran 221.75
    n-hexyl acetate 85.38
    isooctane 6.27
    2-(2-butoxyethoxy)ethanol 130.55
    sec-butyl acetate 44.79
    tert-butyl acetate 62.87
    decalin 13.2
    glycerin 225.92
    diglyme 290.07
    acrylic acid 243.76
    isopropyl myristate 38.32
    n-butyric acid 266.32
    acetyl acetate 103.25
    di(2-ethylhexyl) phthalate 52.88
    ethyl propionate 69.36
    nitromethane 671.69
    1,2-diethoxyethane 107.46
    benzonitrile 191.52
    trioctyl phosphate 43.37
    1-bromopropane 184.26
    gamma-valerolactone 390.58
    n-decanol 40.83
    triethyl phosphate 63.6
    4-methyl-2-pentanol 37.17
    propionitrile 207.87
    vinylene carbonate 299.61
    1,1,2-trichlorotrifluoroethane 414.37
    DMS 72.74
    cumene 32.99
    2-octanol 40.38
    2-hexanone 83.45
    octyl acetate 52.53
    limonene 64.97
    1,2-dimethoxyethane 303.1
    ethyl orthosilicate 58.26
    tributyl phosphate 46.49
    diacetone alcohol 95.82
    N,N-dimethylaniline 71.4
    acrylonitrile 292.86
    aniline 139.67
    1,3-propanediol 258.51
    bromobenzene 207.98
    dibromomethane 672.19
    1,1,2,2-tetrachloroethane 542.0
    2-methyl-cyclohexyl acetate 84.31
    tetrabutyl urea 62.87
    diisobutyl methanol 43.41
    2-phenylethanol 112.4
    styrene 54.02
    dioctyl adipate 65.92
    dimethyl sulfate 146.55
    ethyl butyrate 98.98
    methyl lactate 93.92
    butyl lactate 67.92
    diethyl carbonate 81.12
    propanediol butyl ether 104.21
    triethyl orthoformate 71.67
    p-tert-butyltoluene 39.87
    methyl 4-tert-butylbenzoate 95.87
    morpholine 384.68
    tert-butylamine 94.85
    n-dodecanol 33.51
    dimethoxymethane 231.09
    ethylene carbonate 234.95
    cyrene 128.7
    2-ethoxyethyl acetate 89.22
    2-ethylhexyl acetate 66.01
    1,2,4-trichlorobenzene 201.48
    4-methylpyridine 221.45
    dibutyl ether 59.19
    2,6-dimethyl-4-heptanol 43.41
    DEF 141.65
    dimethyl isosorbide 168.65
    tetrachloroethylene 407.96
    eugenol 102.7
    triacetin 97.49
    span 80 96.58
    1,4-butanediol 129.53
    1,1-dichloroethane 357.71
    2-methyl-1-pentanol 78.47
    methyl formate 325.53
    2-methyl-1-butanol 100.73
    n-decane 11.39
    butyronitrile 194.44
    3,7-dimethyl-1-octanol 51.41
    1-chlorooctane 45.92
    1-chlorotetradecane 19.87
    n-nonane 10.93
    undecane 9.07
    tert-butylcyclohexane 11.51
    cyclooctane 8.43
    cyclopentanol 164.74
    tetrahydropyran 251.87
    tert-amyl methyl ether 53.92
    2,5,8-trioxanonane 185.28
    1-hexene 29.02
    2-isopropoxyethanol 129.56
    2,2,2-trifluoroethanol 181.81
    methyl butyrate 110.6

    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