Phenethylamine

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  • Identifiers

    CAS number
    64-04-0

    Molecular formula
    C8H11N

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 70.5%
    Cheesy 48.84%
    Ripe 37.81%
    Animal 33.85%
    Meaty 26.02%
    Musty 19.34%
    Burnt 19.29%
    Smoky 19.07%
    Sulfurous 18.96%
    Cooked 18.16%

     

    Flavor
    Fishy 42.32%
    Ammoniacal 37.34%
    Meaty 32.1%
    Sulfurous 27.34%
    Mild 24.55%
    Penetrating 22.15%
    Phenolic 21.76%
    Toluene 20.82%
    Turnup 20.61%
    Creosote 20.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.36 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -60 °C
    • <0 °C

    Boiling point

    • 197.5 °C
    • BP: 197-198 °C: Specific gravity: 0.96 at 15 °C/15 °C
    • BP: 194.5-195 °C
    • BP: 204 °C
    • 194.00 to 195.00 °C. @ 760.00 mm Hg

    Flash point

    • 88.75 ˚C est.
    • 81 °C (178 °F) - closed cup

    Solubility expt.

    • Soluble in water
    • Very soluble in ethanol, ether; soluble in carbon tetrachloride
    • Soluble in alcohol, ether
    • Freely soluble in alcohol, ether
    • Soluble in water, ether
    • Soluble (in ethanol)

  • Synonyms

    • Phenethylamine
    • 2-phenylethylamine
    • 2-Phenylethanamine
    • 64-04-0
    • Benzeneethanamine
    • phenylethylamine
    • 2-Phenethylamine
    • beta-phenylethylamine
    • beta-Phenethylamine
    • 1-Amino-2-phenylethane
    • beta-Aminoethylbenzene
    • (2-Aminoethyl)benzene
    • 2-Phenylethan-1-Amine
    • 1-Phenyl-2-aminoethane
    • 2-Amino-1-phenylethane
    • Ethanamine, 2-phenyl-
    • Ethylamine, 2-phenyl-
    • 1-Phenyl-2-amino-athan
    • 2-Fenylethylamin
    • 2-Amino-fenylethan
    • PHENETHYLAMINE, BETA
    • b-phenylethylamine
    • 2-Fenylethylamin [Czech]
    • beta-Phenylaethylamin
    • 2-Amino-fenylethan [Czech]
    • .beta.-Phenylethylamine
    • beta-Phenylaethylamin [German]
    • FEMA No. 3220
    • 2-Aminoethylbenzene
    • 1-Phenyl-2-amino-athan [German]
    • .beta.-Phenethylamine
    • NSC 10811
    • phenethyl-amine
    • .beta.-Aminoethylbenzene
    • HSDB 3526
    • 1tnj
    • 1utm
    • 1uto
    • b-aminoethylbenzene
    • EINECS 200-574-4
    • UNII-327C7L2BXQ
    • MFCD00008184
    • BRN 0507488
    • 327C7L2BXQ
    • omega-Phenylethylamine
    • CHEBI:18397
    • AI3-03117
    • .beta.-Phenylaethylamin
    • .omega.-Phenylethylamine
    • NSC-10811
    • CHEMBL610
    • DTXSID5058773
    • EC 200-574-4
    • PHENETHYLAMINE, HYDROCHLORIDE
    • benzene, (2-aminoethyl)-
    • beta-phenylaethylamin (german)
    • phenethyl amine
    • 1-Phenyl-2-amino-athan (GERMAN)
    • .beta.-Phenylathylaminhydrochlorid
    • SMR000471837
    • PHEA
    • phenethylamin
    • phenethylarnine
    • b-phenethylamine
    • N-phenethylamine
    • Phenylethyl amine
    • b-phenylaethylamin
    • benzene-ethanamine
    • 2-penylethylamine
    • beta Phenethylamine
    • 2-phenylethaneamine
    • 2-phenylethariamine
    • 2-phenyl-ethylamine
    • 2-phenyl-Ethanamine
    • 2-Phenylethyl amine
    • N-Benzylmethyl-amine
    • 14C-phenylethylamine
    • (2-phenylethyl)amine
    • 2-(phenyl)ethylamine
    • 2-Phenylethanamine #
    • 2-(aminoethyl)benzene
    • Phenethylamine, 99%
    • Phenethylamine, .beta.
    • 2-Phenethylamine, liquid
    • Phenethylamine, >=99%
    • 1-Phenyl-2-amino-aethan
    • SCHEMBL968
    • bmse000377
    • PHENETHYLAMINE [MI]
    • b-phenylaethylamin (german)
    • WLN: Z2R
    • PHENETHYLAMINE [FHFI]
    • MLS001066395
    • MLS001075768
    • SCHEMBL330324
    • GTPL2144
    • PHENETHYLAMINE [WHO-DD]
    • DTXCID3044172
    • BDBM10758
    • 2-PHENYLETHYLAMINE [HSDB]
    • HMS2267J14
    • HMS3886K21
    • NSC10811
    • STR01455
    • s5347
    • STL264196
    • 2-Phenethylamine, analytical standard
    • 2-phenylethanamine (ACD/Name 4.0)
    • 2-phenylethylamine (ACD/Name 4.0)
    • AKOS000119084
    • CCG-266078
    • CS-W011199
    • DB04325
    • HY-W010483
    • NCGC00163366-01
    • NCGC00163366-04
    • DB-002852
    • NS00010853
    • P0085
    • C05332
    • D78532
    • Q407411
    • Phenethylamine, purified by redistillation, >=99.5%
    • 60BC7032-7CEC-4B97-B365-EA6E475E6E3C
    • InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H
    • 200-574-4

  • Applications

    Phenethylamine is a versatile building block in organic synthesis with several real-world applications. In pharmaceuticals, it is used as an intermediate for the synthesis of phenethylamine-based compounds and other therapeutics, and is commonly viewed as a starting point in medicinal chemistry for designing receptor ligands. In fragrance and flavor chemistry, it serves as a precursor for aroma compounds through subsequent functionalization. In research and development, it functions as a reagent and coupling partner in various synthetic routes and as a platform for generating amine-functionalized derivatives. In the agrochemical and specialty chemical sectors, it is used as a building block for certain active ingredients and related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 801.89
    methanol 638.1
    isopropanol 437.87
    water 2.57
    ethyl acetate 299.47
    n-propanol 559.27
    acetone 642.61
    n-butanol 472.98
    acetonitrile 673.53
    DMF 937.9
    toluene 122.73
    isobutanol 320.01
    1,4-dioxane 759.49
    methyl acetate 293.17
    THF 898.99
    2-butanone 325.97
    n-pentanol 218.07
    sec-butanol 229.24
    n-hexane 20.33
    ethylene glycol 197.47
    NMP 572.54
    cyclohexane 50.86
    DMSO 1764.52
    n-butyl acetate 312.2
    n-octanol 80.39
    chloroform 919.68
    n-propyl acetate 154.61
    acetic acid 735.63
    dichloromethane 920.02
    cyclohexanone 557.39
    propylene glycol 192.06
    isopropyl acetate 119.57
    DMAc 331.57
    2-ethoxyethanol 277.96
    isopentanol 235.47
    n-heptane 66.5
    ethyl formate 377.21
    1,2-dichloroethane 495.73
    n-hexanol 446.36
    2-methoxyethanol 703.13
    isobutyl acetate 89.29
    tetrachloromethane 158.45
    n-pentyl acetate 82.5
    transcutol 405.69
    n-heptanol 128.18
    ethylbenzene 36.71
    MIBK 113.03
    2-propoxyethanol 504.23
    tert-butanol 337.97
    MTBE 143.3
    2-butoxyethanol 183.04
    propionic acid 485.3
    o-xylene 61.61
    formic acid 234.03
    diethyl ether 270.2
    m-xylene 67.47
    p-xylene 44.31
    chlorobenzene 213.27
    dimethyl carbonate 138.69
    n-octane 14.26
    formamide 323.34
    cyclopentanone 753.28
    2-pentanone 278.19
    anisole 105.05
    cyclopentyl methyl ether 343.97
    gamma-butyrolactone 898.87
    1-methoxy-2-propanol 389.72
    pyridine 542.75
    3-pentanone 191.58
    furfural 593.31
    n-dodecane 10.09
    diethylene glycol 349.12
    diisopropyl ether 45.93
    tert-amyl alcohol 160.16
    acetylacetone 249.35
    n-hexadecane 10.96
    acetophenone 96.97
    methyl propionate 292.22
    isopentyl acetate 182.84
    trichloroethylene 794.44
    n-nonanol 66.9
    cyclohexanol 263.74
    benzyl alcohol 106.08
    2-ethylhexanol 185.42
    isooctanol 81.19
    dipropyl ether 295.01
    1,2-dichlorobenzene 159.96
    ethyl lactate 86.83
    propylene carbonate 418.96
    n-methylformamide 671.59
    2-pentanol 188.22
    n-pentane 29.39
    1-propoxy-2-propanol 350.21
    1-methoxy-2-propyl acetate 210.38
    2-(2-methoxypropoxy) propanol 95.65
    mesitylene 41.11
    ε-caprolactone 390.2
    p-cymene 49.31
    epichlorohydrin 679.9
    1,1,1-trichloroethane 333.07
    2-aminoethanol 347.49
    morpholine-4-carbaldehyde 518.24
    sulfolane 952.02
    2,2,4-trimethylpentane 12.12
    2-methyltetrahydrofuran 494.08
    n-hexyl acetate 95.0
    isooctane 12.09
    2-(2-butoxyethoxy)ethanol 149.47
    sec-butyl acetate 67.33
    tert-butyl acetate 111.59
    decalin 16.57
    glycerin 243.46
    diglyme 349.48
    acrylic acid 401.17
    isopropyl myristate 42.17
    n-butyric acid 655.16
    acetyl acetate 182.38
    di(2-ethylhexyl) phthalate 48.98
    ethyl propionate 121.91
    nitromethane 1177.65
    1,2-diethoxyethane 193.63
    benzonitrile 177.28
    trioctyl phosphate 44.47
    1-bromopropane 277.55
    gamma-valerolactone 725.84
    n-decanol 52.75
    triethyl phosphate 69.8
    4-methyl-2-pentanol 75.36
    propionitrile 409.05
    vinylene carbonate 357.88
    1,1,2-trichlorotrifluoroethane 440.77
    DMS 85.44
    cumene 28.75
    2-octanol 53.29
    2-hexanone 147.31
    octyl acetate 57.95
    limonene 96.62
    1,2-dimethoxyethane 413.22
    ethyl orthosilicate 68.18
    tributyl phosphate 47.49
    diacetone alcohol 153.29
    N,N-dimethylaniline 64.99
    acrylonitrile 474.73
    aniline 208.25
    1,3-propanediol 442.78
    bromobenzene 213.99
    dibromomethane 603.52
    1,1,2,2-tetrachloroethane 537.47
    2-methyl-cyclohexyl acetate 98.99
    tetrabutyl urea 70.79
    diisobutyl methanol 83.06
    2-phenylethanol 136.37
    styrene 57.51
    dioctyl adipate 63.78
    dimethyl sulfate 219.52
    ethyl butyrate 204.27
    methyl lactate 153.19
    butyl lactate 78.06
    diethyl carbonate 112.2
    propanediol butyl ether 116.61
    triethyl orthoformate 125.22
    p-tert-butyltoluene 47.95
    methyl 4-tert-butylbenzoate 91.89
    morpholine 808.53
    tert-butylamine 182.14
    n-dodecanol 43.29
    dimethoxymethane 466.86
    ethylene carbonate 331.11
    cyrene 113.19
    2-ethoxyethyl acetate 106.41
    2-ethylhexyl acetate 131.38
    1,2,4-trichlorobenzene 173.01
    4-methylpyridine 358.52
    dibutyl ether 94.38
    2,6-dimethyl-4-heptanol 83.06
    DEF 322.8
    dimethyl isosorbide 190.43
    tetrachloroethylene 385.45
    eugenol 91.05
    triacetin 92.76
    span 80 114.17
    1,4-butanediol 130.56
    1,1-dichloroethane 420.97
    2-methyl-1-pentanol 108.21
    methyl formate 496.86
    2-methyl-1-butanol 218.18
    n-decane 15.87
    butyronitrile 425.98
    3,7-dimethyl-1-octanol 67.38
    1-chlorooctane 52.82
    1-chlorotetradecane 23.07
    n-nonane 16.64
    undecane 12.14
    tert-butylcyclohexane 15.32
    cyclooctane 17.44
    cyclopentanol 399.89
    tetrahydropyran 652.85
    tert-amyl methyl ether 90.96
    2,5,8-trioxanonane 207.98
    1-hexene 75.49
    2-isopropoxyethanol 138.17
    2,2,2-trifluoroethanol 187.0
    methyl butyrate 187.9

    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