2,5-Dimethoxyphenethylamine

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  • Identifiers

    CAS number
    3600-86-0

    Molecular formula
    C10H15NO2

    SMILES
    COC1=CC(=C(C=C1)OC)CCN

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Smoky 30.89%
    Spicy 30.23%
    Animal 30.11%
    Phenolic 30.03%
    Sweet 28.96%
    Fishy 27.62%
    Meaty 27.5%
    Burnt 27.34%
    Cheesy 25.6%
    Savory 25.59%

     

    Flavor
    Spicy 46.09%
    Phenolic 38.86%
    Spice 38.56%
    Sweet 35.67%
    Smoky 34.98%
    Mild 31.88%
    Woody 29.06%
    Medicinal 28.58%
    Clove 28.52%
    Musty 28.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.99 (weak acid)

    Molecular weight
    181.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 130.81 ˚C est.

  • Synonyms

    • 2,5-Dimethoxyphenethylamine
    • 3600-86-0
    • UNII-9A8XF4GA0X
    • DTXSID80189564
    • NSC 168525
    • RefChem:82916
    • DTXCID40112055
    • 625-021-8
    • WNCUVUUEJZEATP-UHFFFAOYSA-N
    • 2-(2,5-Dimethoxyphenyl)ethanamine
    • 2-(2,5-Dimethoxy-phenyl)-ethylamine
    • 2-(2,5-Dimethoxyphenyl)Ethan-1-Amine
    • 2,5-Dimethoxyphenethylamine-d6
    • 2C-H
    • 2-(2,5-Dimethoxyphenyl)Ethylamine
    • 9A8XF4GA0X
    • CHEMBL287047
    • NSC-168525
    • benzeneethanamine, 2,5-dimethoxy-
    • SCHEMBL479514
    • SCHEMBL7558636
    • DEA No. 7517
    • SCHEMBL29491077
    • (2,5-Dimethoxyphenyl)ethylamine
    • CHEBI:125507
    • 2,5-Dimethoxyphenethylamine, 97%
    • BNB44277
    • BDBM50026778
    • NSC168525
    • 2-(2,5-Dimethoxyphenyl)ethanamine #
    • AKOS000162038
    • AC-6627
    • PHENETHYLAMINE, 2,5-DIMETHOXY-
    • PD046579
    • DB-027456
    • A6257
    • NS00015658
    • 00D860
    • 2-(2-AMINOETHYL)-1,4-DIMETHOXYBENZENE
    • Q4633049
    • BRD-K20985754-001-01-9
    • 3600-86-0

  • Applications

    2,5-Dimethoxyphenethylamine (CAS 3600-86-0) is primarily used as an intermediate in organic synthesis, serving as a building block for the preparation of related phenethylamine derivatives and other aromatic amine motifs; it is commonly evaluated as a precursor in pharmaceutical and agrochemical research, and may be used in academic or industrial settings as a reagent or reference material for synthetic methodology development; it can also act as a foundation for further functionalization in specialty chemical manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.71
    methanol 278.94
    isopropanol 63.52
    water 11.22
    ethyl acetate 112.98
    n-propanol 98.17
    acetone 138.23
    n-butanol 75.22
    acetonitrile 162.47
    DMF 293.16
    toluene 21.55
    isobutanol 57.2
    1,4-dioxane 254.68
    methyl acetate 111.87
    THF 221.42
    2-butanone 73.66
    n-pentanol 53.58
    sec-butanol 46.39
    n-hexane 1.37
    ethylene glycol 178.14
    NMP 246.18
    cyclohexane 5.86
    DMSO 623.67
    n-butyl acetate 63.52
    n-octanol 21.07
    chloroform 428.58
    n-propyl acetate 67.14
    acetic acid 506.63
    dichloromethane 556.51
    cyclohexanone 165.74
    propylene glycol 88.93
    isopropyl acetate 45.12
    DMAc 198.75
    2-ethoxyethanol 198.52
    isopentanol 53.96
    n-heptane 2.85
    ethyl formate 185.96
    1,2-dichloroethane 265.93
    n-hexanol 48.4
    2-methoxyethanol 377.81
    isobutyl acetate 39.76
    tetrachloromethane 65.98
    n-pentyl acetate 32.46
    transcutol 208.08
    n-heptanol 26.05
    ethylbenzene 15.97
    MIBK 30.26
    2-propoxyethanol 136.98
    tert-butanol 93.47
    MTBE 41.68
    2-butoxyethanol 72.6
    propionic acid 163.35
    o-xylene 24.76
    formic acid 355.6
    diethyl ether 42.25
    m-xylene 20.59
    p-xylene 21.6
    chlorobenzene 84.29
    dimethyl carbonate 66.88
    n-octane 1.68
    formamide 396.15
    cyclopentanone 209.39
    2-pentanone 50.42
    anisole 56.83
    cyclopentyl methyl ether 70.3
    gamma-butyrolactone 365.38
    1-methoxy-2-propanol 145.43
    pyridine 163.97
    3-pentanone 45.41
    furfural 380.62
    n-dodecane 1.78
    diethylene glycol 204.38
    diisopropyl ether 9.57
    tert-amyl alcohol 57.07
    acetylacetone 100.79
    n-hexadecane 1.98
    acetophenone 70.27
    methyl propionate 89.68
    isopentyl acetate 52.48
    trichloroethylene 504.43
    n-nonanol 20.06
    cyclohexanol 68.71
    benzyl alcohol 72.01
    2-ethylhexanol 29.39
    isooctanol 22.07
    dipropyl ether 28.44
    1,2-dichlorobenzene 93.62
    ethyl lactate 59.07
    propylene carbonate 203.88
    n-methylformamide 258.56
    2-pentanol 27.97
    n-pentane 1.62
    1-propoxy-2-propanol 68.57
    1-methoxy-2-propyl acetate 73.29
    2-(2-methoxypropoxy) propanol 56.04
    mesitylene 14.89
    ε-caprolactone 154.19
    p-cymene 17.74
    epichlorohydrin 331.77
    1,1,1-trichloroethane 177.8
    2-aminoethanol 172.27
    morpholine-4-carbaldehyde 272.78
    sulfolane 417.74
    2,2,4-trimethylpentane 2.69
    2-methyltetrahydrofuran 124.45
    n-hexyl acetate 42.22
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 76.54
    sec-butyl acetate 33.95
    tert-butyl acetate 47.2
    decalin 4.56
    glycerin 211.49
    diglyme 175.8
    acrylic acid 198.57
    isopropyl myristate 17.43
    n-butyric acid 209.18
    acetyl acetate 115.24
    di(2-ethylhexyl) phthalate 29.14
    ethyl propionate 53.77
    nitromethane 687.13
    1,2-diethoxyethane 58.35
    benzonitrile 92.25
    trioctyl phosphate 21.73
    1-bromopropane 61.99
    gamma-valerolactone 295.65
    n-decanol 15.56
    triethyl phosphate 46.26
    4-methyl-2-pentanol 17.83
    propionitrile 97.2
    vinylene carbonate 225.88
    1,1,2-trichlorotrifluoroethane 360.98
    DMS 60.34
    cumene 14.91
    2-octanol 14.01
    2-hexanone 43.07
    octyl acetate 24.36
    limonene 25.14
    1,2-dimethoxyethane 222.62
    ethyl orthosilicate 40.74
    tributyl phosphate 26.88
    diacetone alcohol 70.61
    N,N-dimethylaniline 40.04
    acrylonitrile 155.03
    aniline 76.26
    1,3-propanediol 201.7
    bromobenzene 75.39
    dibromomethane 248.61
    1,1,2,2-tetrachloroethane 331.08
    2-methyl-cyclohexyl acetate 50.86
    tetrabutyl urea 32.27
    diisobutyl methanol 17.07
    2-phenylethanol 61.78
    styrene 20.73
    dioctyl adipate 35.68
    dimethyl sulfate 135.7
    ethyl butyrate 57.16
    methyl lactate 87.07
    butyl lactate 39.11
    diethyl carbonate 55.53
    propanediol butyl ether 54.04
    triethyl orthoformate 47.04
    p-tert-butyltoluene 17.08
    methyl 4-tert-butylbenzoate 57.48
    morpholine 251.73
    tert-butylamine 39.18
    n-dodecanol 12.67
    dimethoxymethane 156.1
    ethylene carbonate 185.28
    cyrene 96.1
    2-ethoxyethyl acetate 59.71
    2-ethylhexyl acetate 40.13
    1,2,4-trichlorobenzene 116.09
    4-methylpyridine 111.01
    dibutyl ether 21.31
    2,6-dimethyl-4-heptanol 17.07
    DEF 107.58
    dimethyl isosorbide 113.28
    tetrachloroethylene 253.84
    eugenol 62.8
    triacetin 66.18
    span 80 51.0
    1,4-butanediol 85.41
    1,1-dichloroethane 164.44
    2-methyl-1-pentanol 43.05
    methyl formate 265.05
    2-methyl-1-butanol 51.83
    n-decane 2.63
    butyronitrile 92.99
    3,7-dimethyl-1-octanol 20.33
    1-chlorooctane 14.16
    1-chlorotetradecane 6.19
    n-nonane 2.32
    undecane 2.07
    tert-butylcyclohexane 3.9
    cyclooctane 2.13
    cyclopentanol 87.96
    tetrahydropyran 115.52
    tert-amyl methyl ether 31.59
    2,5,8-trioxanonane 116.76
    1-hexene 6.79
    2-isopropoxyethanol 92.77
    2,2,2-trifluoroethanol 237.71
    methyl butyrate 83.7

    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