Phe-ala

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  • Identifiers

    CAS number
    3918-87-4

    Molecular formula
    C12H16N2O3

    SMILES
    C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N

  • Odor profile

    Fragrance
    Odorless 62.68%
    Savory 36.6%
    Sweet 23.58%
    Meaty 23.31%
    Cooling 23.03%
    Bitter 22.91%
    Cooked 21.37%
    Milky 20.55%
    Cocoa 19.41%
    Fishy 19.07%

     

    Flavor
    Odorless 59.1%
    Bitter 49.47%
    Mild 33.22%
    Bland 29.02%
    Sweet-like 21.63%
    Yeast 20.74%
    Nitrile 20.6%
    Faint 19.46%
    Very mild 19.33%
    Orange flower 18.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.9

    pKa est.
    5.7 (weak acid)

    Molecular weight
    236.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 221.94 ˚C est.

  • Synonyms

    • Phe-ala
    • 3918-87-4
    • Phenylalanylalanine
    • H-PHE-ALA-OH
    • L-Phenylalanyl-L-alanine
    • (S)-2-((S)-2-Amino-3-phenylpropanamido)propanoic acid
    • MFCD00037229
    • (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
    • CHEMBL429950
    • CHEBI:73630
    • FA dipeptide
    • F-A Dipeptide
    • L-Phe-L-Ala
    • Phenylalanine Alanine dipeptide
    • Phenylalanine-Alanine dipeptide
    • L-Alanine, N-L-phenylalanyl-
    • SCHEMBL1711543
    • DTXSID20192411
    • MIDZLCFIAINOQN-WPRPVWTQSA-N
    • BDBM50139892
    • AKOS010420277
    • CS-W010318
    • HY-W009602
    • DA-56784
    • Q27142042
    • (S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propionic acid
    • (S,S)2-(2-phenyl-1-trimethylammonioethylcarboxamido)propanoate
    • F-A

  • Applications

    Phe-ala (CAS 3918-87-4) is a dipeptide used as a building block for peptide synthesis in pharmaceutical and biotechnological contexts; it often serves as an intermediate in drug manufacturing; it is used as a substrate and reference standard in peptide research and enzymatic systems; it functions as an analytical standard for quantifying peptides by LC-MS/HPLC; and it is explored as a building block for peptide-based materials or peptide-containing polymers in materials science and related industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.8
    methanol 12.4
    isopropanol 0.93
    water 21.46
    ethyl acetate 2.25
    n-propanol 0.93
    acetone 1.59
    n-butanol 0.86
    acetonitrile 0.69
    DMF 57.58
    toluene 0.42
    isobutanol 0.85
    1,4-dioxane 3.18
    methyl acetate 0.86
    THF 5.47
    2-butanone 1.13
    n-pentanol 1.06
    sec-butanol 0.93
    n-hexane 0.11
    ethylene glycol 20.74
    NMP 51.88
    cyclohexane 0.09
    DMSO 81.89
    n-butyl acetate 1.11
    n-octanol 0.36
    chloroform 0.59
    n-propyl acetate 1.08
    acetic acid 31.04
    dichloromethane 1.02
    cyclohexanone 4.08
    propylene glycol 11.3
    isopropyl acetate 1.71
    DMAc 94.0
    2-ethoxyethanol 25.17
    isopentanol 1.42
    n-heptane 0.13
    ethyl formate 3.6
    1,2-dichloroethane 0.91
    n-hexanol 1.33
    2-methoxyethanol 44.42
    isobutyl acetate 0.66
    tetrachloromethane 0.23
    n-pentyl acetate 0.67
    transcutol 26.36
    n-heptanol 0.94
    ethylbenzene 0.53
    MIBK 1.73
    2-propoxyethanol 14.35
    tert-butanol 2.93
    MTBE 0.88
    2-butoxyethanol 6.28
    propionic acid 4.02
    o-xylene 0.76
    formic acid 153.37
    diethyl ether 0.58
    m-xylene 0.61
    p-xylene 0.73
    chlorobenzene 0.45
    dimethyl carbonate 4.69
    n-octane 0.08
    formamide 130.03
    cyclopentanone 6.34
    2-pentanone 1.54
    anisole 1.65
    cyclopentyl methyl ether 2.18
    gamma-butyrolactone 12.94
    1-methoxy-2-propanol 19.24
    pyridine 2.33
    3-pentanone 1.39
    furfural 24.95
    n-dodecane 0.04
    diethylene glycol 43.52
    diisopropyl ether 0.4
    tert-amyl alcohol 2.68
    acetylacetone 7.35
    n-hexadecane 0.05
    acetophenone 3.37
    methyl propionate 2.82
    isopentyl acetate 1.59
    trichloroethylene 1.93
    n-nonanol 0.47
    cyclohexanol 1.53
    benzyl alcohol 3.6
    2-ethylhexanol 0.91
    isooctanol 0.98
    dipropyl ether 1.04
    1,2-dichlorobenzene 0.81
    ethyl lactate 4.4
    propylene carbonate 7.63
    n-methylformamide 19.41
    2-pentanol 0.72
    n-pentane 0.06
    1-propoxy-2-propanol 6.41
    1-methoxy-2-propyl acetate 5.54
    2-(2-methoxypropoxy) propanol 9.24
    mesitylene 0.58
    ε-caprolactone 5.68
    p-cymene 0.55
    epichlorohydrin 6.94
    1,1,1-trichloroethane 0.39
    2-aminoethanol 17.79
    morpholine-4-carbaldehyde 49.59
    sulfolane 39.23
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 1.85
    n-hexyl acetate 0.76
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 12.2
    sec-butyl acetate 0.95
    tert-butyl acetate 2.71
    decalin 0.12
    glycerin 56.91
    diglyme 21.69
    acrylic acid 8.45
    isopropyl myristate 0.48
    n-butyric acid 6.26
    acetyl acetate 2.77
    di(2-ethylhexyl) phthalate 1.71
    ethyl propionate 1.7
    nitromethane 29.79
    1,2-diethoxyethane 2.31
    benzonitrile 1.48
    trioctyl phosphate 1.01
    1-bromopropane 0.25
    gamma-valerolactone 25.16
    n-decanol 0.43
    triethyl phosphate 2.27
    4-methyl-2-pentanol 0.94
    propionitrile 0.47
    vinylene carbonate 6.26
    1,1,2-trichlorotrifluoroethane 25.46
    DMS 2.49
    cumene 0.56
    2-octanol 0.45
    2-hexanone 1.04
    octyl acetate 0.66
    limonene 0.59
    1,2-dimethoxyethane 17.23
    ethyl orthosilicate 2.17
    tributyl phosphate 1.14
    diacetone alcohol 10.03
    N,N-dimethylaniline 2.39
    acrylonitrile 1.32
    aniline 1.52
    1,3-propanediol 16.31
    bromobenzene 0.38
    dibromomethane 0.45
    1,1,2,2-tetrachloroethane 2.08
    2-methyl-cyclohexyl acetate 1.94
    tetrabutyl urea 2.28
    diisobutyl methanol 0.89
    2-phenylethanol 2.87
    styrene 0.47
    dioctyl adipate 1.19
    dimethyl sulfate 15.3
    ethyl butyrate 1.64
    methyl lactate 12.3
    butyl lactate 2.56
    diethyl carbonate 1.5
    propanediol butyl ether 6.47
    triethyl orthoformate 2.1
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 5.05
    morpholine 5.02
    tert-butylamine 0.87
    n-dodecanol 0.38
    dimethoxymethane 14.59
    ethylene carbonate 4.41
    cyrene 18.28
    2-ethoxyethyl acetate 2.18
    2-ethylhexyl acetate 1.06
    1,2,4-trichlorobenzene 1.16
    4-methylpyridine 1.94
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.89
    DEF 8.14
    dimethyl isosorbide 16.69
    tetrachloroethylene 1.98
    eugenol 7.06
    triacetin 3.28
    span 80 6.09
    1,4-butanediol 9.1
    1,1-dichloroethane 0.3
    2-methyl-1-pentanol 1.82
    methyl formate 14.77
    2-methyl-1-butanol 1.33
    n-decane 0.06
    butyronitrile 0.63
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.15
    1-chlorotetradecane 0.11
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.09
    cyclooctane 0.07
    cyclopentanol 1.89
    tetrahydropyran 0.84
    tert-amyl methyl ether 1.2
    2,5,8-trioxanonane 19.94
    1-hexene 0.28
    2-isopropoxyethanol 10.04
    2,2,2-trifluoroethanol 17.27
    methyl butyrate 2.4

    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