2,3-Dimethoxyphenethylamine

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  • Identifiers

    CAS number
    3213-29-4

    Molecular formula
    C10H15NO2

    SMILES
    COC1=CC=CC(=C1OC)CCN

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Smoky 33.56%
    Fishy 33.26%
    Phenolic 32.54%
    Animal 29.93%
    Meaty 29.62%
    Burnt 29.52%
    Spicy 29.26%
    Cheesy 28.87%
    Savory 26.14%
    Sweet 25.28%

     

    Flavor
    Spicy 48.05%
    Phenolic 44.19%
    Spice 41.1%
    Smoky 37.97%
    Sweet 35.27%
    Mild 32.71%
    Medicinal 30.8%
    Meaty 30.66%
    Musty 30.66%
    Burnt 30.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.68 (neutral)

    Molecular weight
    181.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 120.74 ˚C est.

  • Synonyms

    • 2,3-Dimethoxyphenethylamine
    • 3213-29-4
    • 2-(2,3-Dimethoxyphenyl)ethanamine
    • 2-(2,3-dimethoxyphenyl)ethan-1-amine
    • LUW5Z6DJ9Q
    • 2,3-Dimethoxybenzeneethanamine
    • DTXSID10185913
    • Benzeneethanamine, 2,3-dimethoxy-
    • MFCD00060613
    • UNII-LUW5Z6DJ9Q
    • dimethoxybenzeneethan-amine
    • 2,3-dimethoxy phenethylamine
    • SCHEMBL151944
    • DTXCID50108404
    • (2,3-dimethoxy-benzyl)methylamine
    • 2,3-Dimethoxyphenethylamine, 97%
    • DAA21329
    • (2,3-dimethoxy-benzyl)methyl-amine
    • 2-(2,3-Dimethoxyphenyl)-ethylamine
    • 2-(2,3-dimethoxy-phenyl)-ethylamine
    • 2-(2,3-Dimethoxyphenyl)ethanamine #
    • AKOS000162379
    • AS-86723
    • DB-019772
    • CS-0104581
    • EN300-45045
    • D87831
    • 625-549-9

  • Applications

    2,3-Dimethoxyphenethylamine (CAS 3213-29-4) is primarily used as an organic synthesis intermediate and building block in medicinal chemistry, enabling the preparation of more complex phenethylamine derivatives and heterocyclic compounds for pharmaceutical research. It is encountered in industrial manufacturing as a precursor for specialty and fine chemicals, with process development work in contract synthesis and scale-up. In academic and industrial R&D, it serves as a substrate for synthetic methodology studies and as a starting point for functional-group transformations on the aromatic ring, such as demethylation or further functionalization. As part of the phenethylamine chemistry toolbox, it is commonly evaluated for developing related intermediates and compounds for drug discovery and chemical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 270.83
    methanol 553.82
    isopropanol 133.1
    water 12.4
    ethyl acetate 177.61
    n-propanol 167.52
    acetone 344.77
    n-butanol 119.75
    acetonitrile 396.39
    DMF 553.86
    toluene 32.25
    isobutanol 102.93
    1,4-dioxane 408.19
    methyl acetate 206.68
    THF 349.36
    2-butanone 143.12
    n-pentanol 97.06
    sec-butanol 91.6
    n-hexane 3.86
    ethylene glycol 341.91
    NMP 399.68
    cyclohexane 13.42
    DMSO 1102.45
    n-butyl acetate 122.63
    n-octanol 48.63
    chloroform 813.44
    n-propyl acetate 122.75
    acetic acid 857.02
    dichloromethane 1195.54
    cyclohexanone 282.18
    propylene glycol 154.59
    isopropyl acetate 73.26
    DMAc 229.05
    2-ethoxyethanol 324.38
    isopentanol 78.47
    n-heptane 7.54
    ethyl formate 373.72
    1,2-dichloroethane 571.28
    n-hexanol 95.44
    2-methoxyethanol 588.56
    isobutyl acetate 64.77
    tetrachloromethane 142.47
    n-pentyl acetate 74.24
    transcutol 276.8
    n-heptanol 61.57
    ethylbenzene 26.28
    MIBK 55.68
    2-propoxyethanol 234.83
    tert-butanol 144.54
    MTBE 61.49
    2-butoxyethanol 141.52
    propionic acid 299.6
    o-xylene 34.49
    formic acid 618.48
    diethyl ether 80.12
    m-xylene 29.35
    p-xylene 35.75
    chlorobenzene 156.98
    dimethyl carbonate 126.43
    n-octane 4.45
    formamide 702.13
    cyclopentanone 369.45
    2-pentanone 101.95
    anisole 88.2
    cyclopentyl methyl ether 111.29
    gamma-butyrolactone 640.52
    1-methoxy-2-propanol 251.23
    pyridine 284.96
    3-pentanone 74.88
    furfural 653.52
    n-dodecane 4.38
    diethylene glycol 339.93
    diisopropyl ether 18.38
    tert-amyl alcohol 90.81
    acetylacetone 175.33
    n-hexadecane 5.02
    acetophenone 111.98
    methyl propionate 152.35
    isopentyl acetate 92.91
    trichloroethylene 984.87
    n-nonanol 42.98
    cyclohexanol 107.37
    benzyl alcohol 128.08
    2-ethylhexanol 56.43
    isooctanol 47.96
    dipropyl ether 50.04
    1,2-dichlorobenzene 184.26
    ethyl lactate 105.55
    propylene carbonate 392.82
    n-methylformamide 570.57
    2-pentanol 52.04
    n-pentane 4.54
    1-propoxy-2-propanol 128.34
    1-methoxy-2-propyl acetate 114.64
    2-(2-methoxypropoxy) propanol 78.69
    mesitylene 23.32
    ε-caprolactone 266.02
    p-cymene 32.92
    epichlorohydrin 632.03
    1,1,1-trichloroethane 314.32
    2-aminoethanol 293.14
    morpholine-4-carbaldehyde 425.51
    sulfolane 819.34
    2,2,4-trimethylpentane 5.1
    2-methyltetrahydrofuran 195.43
    n-hexyl acetate 89.49
    isooctane 3.56
    2-(2-butoxyethoxy)ethanol 118.74
    sec-butyl acetate 49.29
    tert-butyl acetate 74.22
    decalin 9.26
    glycerin 325.84
    diglyme 294.07
    acrylic acid 394.07
    isopropyl myristate 30.95
    n-butyric acid 331.83
    acetyl acetate 163.46
    di(2-ethylhexyl) phthalate 49.16
    ethyl propionate 85.65
    nitromethane 1214.66
    1,2-diethoxyethane 91.88
    benzonitrile 197.71
    trioctyl phosphate 43.66
    1-bromopropane 120.25
    gamma-valerolactone 507.88
    n-decanol 33.59
    triethyl phosphate 63.01
    4-methyl-2-pentanol 28.98
    propionitrile 185.42
    vinylene carbonate 424.87
    1,1,2-trichlorotrifluoroethane 656.81
    DMS 102.85
    cumene 25.77
    2-octanol 36.18
    2-hexanone 80.55
    octyl acetate 46.52
    limonene 45.47
    1,2-dimethoxyethane 361.31
    ethyl orthosilicate 54.54
    tributyl phosphate 47.47
    diacetone alcohol 112.42
    N,N-dimethylaniline 62.02
    acrylonitrile 342.61
    aniline 109.32
    1,3-propanediol 298.99
    bromobenzene 147.02
    dibromomethane 577.19
    1,1,2,2-tetrachloroethane 647.69
    2-methyl-cyclohexyl acetate 79.29
    tetrabutyl urea 56.55
    diisobutyl methanol 29.65
    2-phenylethanol 111.8
    styrene 36.45
    dioctyl adipate 59.57
    dimethyl sulfate 240.18
    ethyl butyrate 87.58
    methyl lactate 149.88
    butyl lactate 85.55
    diethyl carbonate 80.99
    propanediol butyl ether 117.33
    triethyl orthoformate 66.87
    p-tert-butyltoluene 30.37
    methyl 4-tert-butylbenzoate 96.93
    morpholine 375.69
    tert-butylamine 64.83
    n-dodecanol 26.39
    dimethoxymethane 306.5
    ethylene carbonate 336.29
    cyrene 139.3
    2-ethoxyethyl acetate 106.4
    2-ethylhexyl acetate 67.58
    1,2,4-trichlorobenzene 210.94
    4-methylpyridine 174.86
    dibutyl ether 38.18
    2,6-dimethyl-4-heptanol 29.65
    DEF 158.91
    dimethyl isosorbide 163.18
    tetrachloroethylene 523.62
    eugenol 107.01
    triacetin 107.64
    span 80 82.58
    1,4-butanediol 166.43
    1,1-dichloroethane 296.29
    2-methyl-1-pentanol 67.6
    methyl formate 641.35
    2-methyl-1-butanol 77.03
    n-decane 6.67
    butyronitrile 173.18
    3,7-dimethyl-1-octanol 39.09
    1-chlorooctane 33.4
    1-chlorotetradecane 14.56
    n-nonane 6.13
    undecane 5.33
    tert-butylcyclohexane 7.62
    cyclooctane 4.67
    cyclopentanol 158.45
    tetrahydropyran 180.6
    tert-amyl methyl ether 43.52
    2,5,8-trioxanonane 160.6
    1-hexene 16.09
    2-isopropoxyethanol 157.52
    2,2,2-trifluoroethanol 401.84
    methyl butyrate 145.67

    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