3-Methoxyphenylethylamine

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  • Identifiers

    CAS number
    2039-67-0

    Molecular formula
    C9H13NO

    SMILES
    COC1=CC=CC(=C1)CCN

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fishy 44.24%
    Animal 40.73%
    Cheesy 38.71%
    Meaty 30.07%
    Ripe 29.42%
    Floral 26.75%
    Phenolic 26.47%
    Smoky 25.92%
    Sweet 24.25%
    Burnt 23.77%

     

    Flavor
    Phenolic 42.99%
    Spicy 37.04%
    Meaty 36.49%
    Mild 36.08%
    Sweet 35.08%
    Medicinal 30.07%
    Floral 29.58%
    Spice 28.23%
    Smoky 27.61%
    Fruity 25.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.7 (weak acid)

    Molecular weight
    151.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 111.38 ˚C est.

  • Synonyms

    • 3-Methoxyphenethylamine
    • 2039-67-0
    • 3-Methoxyphenylethylamine
    • 2-(3-Methoxyphenyl)ethanamine
    • Benzeneethanamine, 3-methoxy-
    • 2-(3-Methoxyphenyl)ethylamine
    • m-Methoxyphenethylamine
    • m-Methoxyphenylethylamine
    • Phenethylamine, m-methoxy-
    • 2-(3-Methoxy-phenyl)-ethylamine
    • 2-(3-methoxyphenyl)ethan-1-amine
    • 3-Methoxy-4-hydroxyphenylethylamine
    • 3-Methoxy-beta-phenethylamine
    • NSC 124706
    • EINECS 218-017-9
    • 7WX5W6GM6F
    • BRN 0775202
    • MFCD00008187
    • NSC-124706
    • CHEMBL316698
    • 3-Methoxy-.beta.-phenethylamine
    • DTXSID10174327
    • 4-13-00-01781 (Beilstein Handbook Reference)
    • 3-Methoxyphenethyl ae
    • UNII-7WX5W6GM6F
    • O-methyl-3-tyramine
    • 3-methoxylphenethylamine
    • 3-methoxy phenethylamine
    • 3-methoxyphenethyl amine
    • 3-methoxyphenethyl-amine
    • 3-methoxylphenylethylamine
    • 3-(2-Aminoethyl)anisole
    • 3-methoxy phenylethylamine
    • 3-methoxy-phenylethylamine
    • 3-methoxy-benzeneethanamine
    • (3-Methoxyphenyl)ethylamine
    • SCHEMBL42400
    • WLN: Z2R CO1
    • (3-methoxybenzyl) methylamine
    • 3-Methoxyphenethylamine, 97%
    • 2-(3-methoxyphenyl)-ethylamine
    • 2-(3-methoxyphenyl)ethyl-amine
    • DTXCID9096818
    • beta-(3-methoxyphenyl)-ethylamine
    • 2-(3-Methoxy-phenyl)-ethyl amine
    • 2-(3-methoxy-phenyl)-ethyl-amine
    • 2-(3-methoxyphenyl)-1-ethanamine
    • CS-M3354
    • BDBM50240698
    • Benzeneethanamine, 3-methoxy-(9CI)
    • NSC124706
    • STK505659
    • {2-[3-(methyloxy)phenyl]ethyl}amine
    • AKOS000160625
    • FM37992
    • SB35192
    • benzene, 1-(2-aminoethyl)-3-methoxy-
    • AC-14364
    • HY-41268
    • PD158977
    • SY005807
    • TS-02001
    • M1891
    • NS00026613
    • EN300-41636
    • F14686
    • Q27268957
    • F2190-0494
    • Z285143778
    • 3-Methoxy-2-phenylethylamine; 2-(3-Methoxyphenyl)ethylamine
    • InChI=1/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H
    • 218-017-9

  • Applications

    3-Methoxyphenylethylamine (CAS 2039-67-0) is primarily used as a synthetic building block in organic synthesis and medicinal chemistry, serving as an intermediate for the preparation of substituted phenethylamine derivatives. It is often evaluated as a pharmaceutical research reagent and can function as a general building block in specialty chemical synthesis. In fragrance and perfumery, it may act as a fragrance precursor or odorant component contributing to specific note profiles. In cosmetics/personal care, it can appear as a fragrance-related intermediate under formulation constraints. In analytical and process development, it is used as a reference standard or test compound for method development and quality control. In industrial manufacturing, it may be employed in the synthesis of specialty chemicals and intermediates under appropriate handling and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 769.03
    methanol 1095.92
    isopropanol 355.84
    water 11.79
    ethyl acetate 234.45
    n-propanol 478.23
    acetone 533.49
    n-butanol 316.44
    acetonitrile 529.19
    DMF 822.77
    toluene 63.42
    isobutanol 239.87
    1,4-dioxane 625.78
    methyl acetate 269.73
    THF 567.08
    2-butanone 214.35
    n-pentanol 163.12
    sec-butanol 185.9
    n-hexane 4.64
    ethylene glycol 445.24
    NMP 511.65
    cyclohexane 16.32
    DMSO 2000.31
    n-butyl acetate 131.69
    n-octanol 49.01
    chloroform 794.47
    n-propyl acetate 119.94
    acetic acid 1131.72
    dichloromethane 877.78
    cyclohexanone 392.45
    propylene glycol 366.33
    isopropyl acetate 82.6
    DMAc 319.52
    2-ethoxyethanol 346.44
    isopentanol 160.32
    n-heptane 9.06
    ethyl formate 318.63
    1,2-dichloroethane 441.72
    n-hexanol 166.13
    2-methoxyethanol 808.05
    isobutyl acetate 65.2
    tetrachloromethane 120.44
    n-pentyl acetate 50.72
    transcutol 514.04
    n-heptanol 59.63
    ethylbenzene 22.51
    MIBK 67.91
    2-propoxyethanol 307.04
    tert-butanol 310.33
    MTBE 105.46
    2-butoxyethanol 129.99
    propionic acid 508.72
    o-xylene 43.55
    formic acid 567.41
    diethyl ether 128.61
    m-xylene 43.67
    p-xylene 30.35
    chlorobenzene 169.88
    dimethyl carbonate 112.9
    n-octane 3.21
    formamide 626.06
    cyclopentanone 497.23
    2-pentanone 152.38
    anisole 89.84
    cyclopentyl methyl ether 184.58
    gamma-butyrolactone 698.14
    1-methoxy-2-propanol 368.18
    pyridine 379.68
    3-pentanone 106.33
    furfural 603.18
    n-dodecane 3.21
    diethylene glycol 392.18
    diisopropyl ether 20.93
    tert-amyl alcohol 148.58
    acetylacetone 199.5
    n-hexadecane 3.61
    acetophenone 92.7
    methyl propionate 200.77
    isopentyl acetate 89.79
    trichloroethylene 848.47
    n-nonanol 40.53
    cyclohexanol 190.34
    benzyl alcohol 122.89
    2-ethylhexanol 68.9
    isooctanol 44.2
    dipropyl ether 72.71
    1,2-dichlorobenzene 143.35
    ethyl lactate 90.82
    propylene carbonate 332.16
    n-methylformamide 679.61
    2-pentanol 108.92
    n-pentane 6.81
    1-propoxy-2-propanol 167.79
    1-methoxy-2-propyl acetate 128.89
    2-(2-methoxypropoxy) propanol 98.37
    mesitylene 27.9
    ε-caprolactone 296.16
    p-cymene 26.68
    epichlorohydrin 592.44
    1,1,1-trichloroethane 308.75
    2-aminoethanol 560.54
    morpholine-4-carbaldehyde 468.38
    sulfolane 855.8
    2,2,4-trimethylpentane 6.08
    2-methyltetrahydrofuran 311.5
    n-hexyl acetate 74.73
    isooctane 4.16
    2-(2-butoxyethoxy)ethanol 146.03
    sec-butyl acetate 49.36
    tert-butyl acetate 78.66
    decalin 7.46
    glycerin 519.85
    diglyme 319.9
    acrylic acid 499.7
    isopropyl myristate 26.02
    n-butyric acid 575.41
    acetyl acetate 172.4
    di(2-ethylhexyl) phthalate 43.92
    ethyl propionate 85.29
    nitromethane 1377.42
    1,2-diethoxyethane 110.62
    benzonitrile 158.34
    trioctyl phosphate 33.79
    1-bromopropane 137.93
    gamma-valerolactone 587.03
    n-decanol 29.85
    triethyl phosphate 54.03
    4-methyl-2-pentanol 46.48
    propionitrile 268.85
    vinylene carbonate 335.11
    1,1,2-trichlorotrifluoroethane 568.85
    DMS 85.8
    cumene 19.73
    2-octanol 29.26
    2-hexanone 90.85
    octyl acetate 38.25
    limonene 43.69
    1,2-dimethoxyethane 382.21
    ethyl orthosilicate 49.93
    tributyl phosphate 39.91
    diacetone alcohol 135.13
    N,N-dimethylaniline 54.78
    acrylonitrile 389.72
    aniline 183.35
    1,3-propanediol 551.83
    bromobenzene 149.22
    dibromomethane 439.55
    1,1,2,2-tetrachloroethane 569.01
    2-methyl-cyclohexyl acetate 71.36
    tetrabutyl urea 49.44
    diisobutyl methanol 34.37
    2-phenylethanol 108.46
    styrene 34.02
    dioctyl adipate 52.48
    dimethyl sulfate 202.77
    ethyl butyrate 94.75
    methyl lactate 165.38
    butyl lactate 67.07
    diethyl carbonate 71.57
    propanediol butyl ether 127.17
    triethyl orthoformate 65.88
    p-tert-butyltoluene 25.17
    methyl 4-tert-butylbenzoate 81.55
    morpholine 681.49
    tert-butylamine 128.67
    n-dodecanol 23.66
    dimethoxymethane 335.62
    ethylene carbonate 280.24
    cyrene 126.91
    2-ethoxyethyl acetate 87.63
    2-ethylhexyl acetate 64.88
    1,2,4-trichlorobenzene 184.06
    4-methylpyridine 253.06
    dibutyl ether 41.08
    2,6-dimethyl-4-heptanol 34.37
    DEF 220.23
    dimethyl isosorbide 159.63
    tetrachloroethylene 414.39
    eugenol 89.85
    triacetin 98.26
    span 80 96.56
    1,4-butanediol 204.11
    1,1-dichloroethane 321.82
    2-methyl-1-pentanol 95.36
    methyl formate 546.42
    2-methyl-1-butanol 158.16
    n-decane 5.12
    butyronitrile 242.32
    3,7-dimethyl-1-octanol 42.21
    1-chlorooctane 26.51
    1-chlorotetradecane 10.72
    n-nonane 4.75
    undecane 3.87
    tert-butylcyclohexane 6.9
    cyclooctane 5.09
    cyclopentanol 271.7
    tetrahydropyran 374.08
    tert-amyl methyl ether 63.94
    2,5,8-trioxanonane 202.98
    1-hexene 22.11
    2-isopropoxyethanol 152.62
    2,2,2-trifluoroethanol 346.75
    methyl butyrate 142.32

    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