3-Phenylpropylamine

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  • Identifiers

    CAS number
    2038-57-5

    Molecular formula
    C9H13N

    SMILES
    C1=CC=C(C=C1)CCCN

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fishy 71.42%
    Cheesy 50.13%
    Ripe 37.92%
    Animal 34.02%
    Meaty 26.55%
    Citrus 20.93%
    Burnt 19.96%
    Musty 19.92%
    Oily 19.42%
    Savory 19.02%

     

    Flavor
    Fishy 36.8%
    Ammoniacal 32.31%
    Meaty 27.17%
    Mild 24.75%
    Penetrating 21.33%
    Creosote 20.66%
    Skunky 20.38%
    Toluene 20.29%
    Turnup 20.26%
    Green 20.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.35 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 104.24 ˚C est.

  • Synonyms

    • 3-Phenylpropylamine
    • 2038-57-5
    • 3-phenylpropan-1-amine
    • Benzenepropanamine
    • 3-Phenyl-1-propylamine
    • 1-Amino-3-phenylpropane
    • Hydrocinnamylamine
    • 3-Phenyl-n-propylamine
    • gamma-Phenylpropylamine
    • 3-phenylpropanamine
    • 3-Phenyl-1-propanamine
    • gamma-Phenyl-n-propylamine
    • PROPYLAMINE, 3-PHENYL-
    • 3-Phenyl-1-aminopropane
    • .gamma.-Phenylpropylamine
    • 3-aminopropylbenzene
    • 3-Phenyl-propylamine
    • .gamma.-Phenyl-n-propylamine
    • MFCD00008224
    • NSC 87080
    • phenylpropylamine
    • EINECS 218-012-1
    • BRN 2205526
    • gamma-Aminopropylbenzene
    • P8326EZ31P
    • NSC-87080
    • PROPYLAMINE, 3-PHENYL
    • CHEMBL276864
    • CHEBI:45017
    • DTXSID10174307
    • 4-12-00-02625 (Beilstein Handbook Reference)
    • PROPYLAMINE, 3-PHENYL-, HYDROCHLORIDE
    • UNII-P8326EZ31P
    • phenylpropyl amine
    • 1tnk
    • 1utl
    • 3-Phenylproylamine
    • 3Phenylnpropylamine
    • 3Phenyl1propanamine
    • 3-phenylpropylarnine
    • ?-Aminopropylbenzene
    • 1Amino3phenylpropane
    • 3-phenyl propylamine
    • 3-phenylpropyl-amine
    • gammaPhenylpropylamine
    • Propylamine, 3phenyl
    • gammaPhenylnpropylamine
    • (3-phenylpropyl)amine
    • 3-phenyl propyl amine
    • 3-phenyl-propyl-amine
    • 1-phenyl-3-propylamine
    • Benzenepropanamine (9CI)
    • benzene, (3-amino)propyl-
    • NCIOpen2_001106
    • SCHEMBL52482
    • 3-Phenyl-1-propylamine, 98%
    • DTXCID8096798
    • NSC87080
    • BDBM50113826
    • STK825996
    • AKOS000120432
    • AB00940
    • DB04410
    • PS-5335
    • s10208
    • PD016298
    • SY049659
    • DB-045192
    • NS00026610
    • P0664
    • EN300-20467
    • Q23978199
    • F2190-0400
    • Z104478312
    • InChI=1/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H
    • 218-012-1

  • Applications

    3-Phenylpropylamine (CAS 2038-57-5) is principally used as an organic synthesis intermediate. In pharmaceutical/medicinal chemistry, it serves as a building block for amine-substituted scaffolds and for construction of more complex intermediates. In agrochemical R&D, it is used as a starting material to prepare amine-containing pesticides and related compounds. In polymer and coatings technology, it can act as a curing agent or coupling partner for epoxy resins and polyurethanes, enabling crosslinking in coatings and adhesives. In dye and pigment chemistry, it functions as an intermediate to form arylalkyl amine dyes and related colorants. In fragrance and cosmetics, it may be evaluated as a fragrance precursor or odorant note, depending on formulation and regulatory constraints. Overall, its role is mainly as an intermediate/building block across industries, with actual applications governed by formulation needs and regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2070.17
    methanol 2636.13
    isopropanol 1130.31
    water 2.83
    ethyl acetate 1429.97
    n-propanol 1631.53
    acetone 2350.12
    n-butanol 1375.68
    acetonitrile 1580.13
    DMF 2479.7
    toluene 311.47
    isobutanol 872.53
    1,4-dioxane 1522.45
    methyl acetate 1059.09
    THF 2022.86
    2-butanone 1173.58
    n-pentanol 635.16
    sec-butanol 615.77
    n-hexane 30.6
    ethylene glycol 545.97
    NMP 1182.6
    cyclohexane 60.64
    DMSO 4359.44
    n-butyl acetate 1057.36
    n-octanol 119.48
    chloroform 1909.67
    n-propyl acetate 624.76
    acetic acid 1894.83
    dichloromethane 1892.48
    cyclohexanone 1434.51
    propylene glycol 541.56
    isopropyl acetate 471.54
    DMAc 886.02
    2-ethoxyethanol 981.49
    isopentanol 764.13
    n-heptane 60.77
    ethyl formate 1449.73
    1,2-dichloroethane 1325.74
    n-hexanol 919.82
    2-methoxyethanol 2530.34
    isobutyl acetate 261.38
    tetrachloromethane 308.51
    n-pentyl acetate 210.8
    transcutol 1328.83
    n-heptanol 224.37
    ethylbenzene 75.45
    MIBK 358.76
    2-propoxyethanol 1360.22
    tert-butanol 978.9
    MTBE 469.49
    2-butoxyethanol 437.36
    propionic acid 1475.73
    o-xylene 123.61
    formic acid 702.18
    diethyl ether 689.18
    m-xylene 149.9
    p-xylene 91.13
    chlorobenzene 526.3
    dimethyl carbonate 415.29
    n-octane 13.15
    formamide 1103.68
    cyclopentanone 2128.8
    2-pentanone 1119.93
    anisole 267.88
    cyclopentyl methyl ether 885.78
    gamma-butyrolactone 2536.5
    1-methoxy-2-propanol 1301.34
    pyridine 1473.93
    3-pentanone 632.79
    furfural 1550.07
    n-dodecane 8.57
    diethylene glycol 855.82
    diisopropyl ether 108.95
    tert-amyl alcohol 469.09
    acetylacetone 917.9
    n-hexadecane 9.37
    acetophenone 234.18
    methyl propionate 1115.29
    isopentyl acetate 515.54
    trichloroethylene 2218.82
    n-nonanol 99.23
    cyclohexanol 558.33
    benzyl alcohol 282.54
    2-ethylhexanol 379.34
    isooctanol 137.31
    dipropyl ether 647.12
    1,2-dichlorobenzene 347.33
    ethyl lactate 223.09
    propylene carbonate 1050.93
    n-methylformamide 2343.74
    2-pentanol 501.51
    n-pentane 36.46
    1-propoxy-2-propanol 850.27
    1-methoxy-2-propyl acetate 613.62
    2-(2-methoxypropoxy) propanol 167.52
    mesitylene 72.03
    ε-caprolactone 1040.08
    p-cymene 79.65
    epichlorohydrin 2049.31
    1,1,1-trichloroethane 819.32
    2-aminoethanol 1037.39
    morpholine-4-carbaldehyde 1209.01
    sulfolane 2123.68
    2,2,4-trimethylpentane 19.13
    2-methyltetrahydrofuran 1197.16
    n-hexyl acetate 215.7
    isooctane 16.84
    2-(2-butoxyethoxy)ethanol 320.59
    sec-butyl acetate 220.52
    tert-butyl acetate 346.13
    decalin 21.99
    glycerin 633.21
    diglyme 801.07
    acrylic acid 1142.08
    isopropyl myristate 61.71
    n-butyric acid 2241.33
    acetyl acetate 592.0
    di(2-ethylhexyl) phthalate 75.5
    ethyl propionate 447.08
    nitromethane 3639.32
    1,2-diethoxyethane 542.62
    benzonitrile 427.36
    trioctyl phosphate 65.55
    1-bromopropane 501.93
    gamma-valerolactone 2054.4
    n-decanol 73.02
    triethyl phosphate 135.27
    4-methyl-2-pentanol 191.14
    propionitrile 1193.96
    vinylene carbonate 892.18
    1,1,2-trichlorotrifluoroethane 1207.73
    DMS 192.56
    cumene 47.34
    2-octanol 82.82
    2-hexanone 492.31
    octyl acetate 89.98
    limonene 153.01
    1,2-dimethoxyethane 1343.7
    ethyl orthosilicate 137.99
    tributyl phosphate 84.89
    diacetone alcohol 430.63
    N,N-dimethylaniline 119.87
    acrylonitrile 1466.37
    aniline 620.49
    1,3-propanediol 1356.53
    bromobenzene 495.41
    dibromomethane 998.46
    1,1,2,2-tetrachloroethane 1402.84
    2-methyl-cyclohexyl acetate 198.13
    tetrabutyl urea 110.57
    diisobutyl methanol 146.33
    2-phenylethanol 321.63
    styrene 134.62
    dioctyl adipate 100.03
    dimethyl sulfate 552.4
    ethyl butyrate 599.36
    methyl lactate 431.36
    butyl lactate 180.28
    diethyl carbonate 295.63
    propanediol butyl ether 239.25
    triethyl orthoformate 304.18
    p-tert-butyltoluene 75.96
    methyl 4-tert-butylbenzoate 146.01
    morpholine 1982.08
    tert-butylamine 473.87
    n-dodecanol 57.71
    dimethoxymethane 1493.29
    ethylene carbonate 865.82
    cyrene 188.15
    2-ethoxyethyl acetate 304.08
    2-ethylhexyl acetate 347.31
    1,2,4-trichlorobenzene 385.38
    4-methylpyridine 1059.9
    dibutyl ether 189.37
    2,6-dimethyl-4-heptanol 146.33
    DEF 1219.33
    dimethyl isosorbide 331.84
    tetrachloroethylene 1137.37
    eugenol 155.13
    triacetin 187.64
    span 80 182.86
    1,4-butanediol 368.05
    1,1-dichloroethane 1021.58
    2-methyl-1-pentanol 325.15
    methyl formate 1673.82
    2-methyl-1-butanol 666.35
    n-decane 14.33
    butyronitrile 1273.0
    3,7-dimethyl-1-octanol 117.27
    1-chlorooctane 69.8
    1-chlorotetradecane 24.28
    n-nonane 14.28
    undecane 10.64
    tert-butylcyclohexane 21.4
    cyclooctane 19.94
    cyclopentanol 788.05
    tetrahydropyran 1409.44
    tert-amyl methyl ether 266.08
    2,5,8-trioxanonane 383.68
    1-hexene 161.12
    2-isopropoxyethanol 436.22
    2,2,2-trifluoroethanol 455.46
    methyl butyrate 760.56

    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