L-Tyrosine ethyl ester

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  • Identifiers

    CAS number
    949-67-7

    Molecular formula
    C11H15NO3

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.5%
    Sweet 36.85%
    Grape 34.43%
    Fruity 32.47%
    Vanilla 25.17%
    Floral 24.68%
    Savory 22.01%
    Bitter 21.04%
    Spicy 20.4%
    Milky 20.24%

     

    Flavor
    Bitter 49.29%
    Odorless 42.55%
    Fruity 40.35%
    Mild 35.87%
    Bland 24.82%
    Grape 24.74%
    Orange blossom 21.13%
    Orange flower 21.02%
    Sweet-like 20.77%
    Petitgrain 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.73 (neutral)

    Molecular weight
    209.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 171.36 ˚C est.

  • Synonyms

    • L-Tyrosine ethyl ester
    • 949-67-7
    • Ethyl L-tyrosinate
    • L-Tyrosine, ethyl ester
    • Ethyl tyrosine ester
    • ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
    • 17RPW76A9G
    • CHEBI:9798
    • DTXSID20883574
    • NSC-519993
    • RefChem:596434
    • DTXCID001023091
    • 213-442-6
    • ethyl tyrosine
    • Tyrosine ethyl ester
    • H-Tyr-OEt
    • Tyr-OEt
    • MFCD00063046
    • L-TYROSINE ETHYLESTER
    • L-Tyr-OEt
    • L-Tyrosine ethyl
    • L-TyrosineEthylEster
    • UNII-17RPW76A9G
    • ethyl-l-tyrosine
    • EINECS 213-442-6
    • NSC 519993
    • Ethyl 2-amino-3-(4-hydroxyphenyl)propanoate #
    • L tyrosine ethyl ester
    • (L)-tyrosine ethyl ester
    • SCHEMBL242947
    • CHEMBL292389
    • SCHEMBL19458896
    • L-tyrosine ethyl ester free base
    • BBL009720
    • STL141085
    • AKOS005716948
    • AKOS015838771
    • AS-12776
    • SY078515
    • CS-0137959
    • NS00042880
    • T0551
    • C01458
    • H10794
    • EN300-4207604
    • F222228
    • Q27108499
    • (s)-2-amino-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
    • 949-67-7

  • Applications

    L-Tyrosine ethyl ester (CAS 949-67-7) is primarily used as a pharmaceutical intermediate and a versatile building block in organic synthesis, enabling the preparation of tyrosine-containing peptides and related derivatives; as a protected amino acid derivative, it supports medicinal chemistry workflows including asymmetric synthesis and the development of enzyme inhibitors and other bioactive molecules; in research and development, it is used as a reagent for synthesizing complex tyrosine-based compounds, and it may serve as a precursor for specialty chemicals in polymer and agrochemical contexts, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.1
    methanol 109.01
    isopropanol 15.65
    water 3.98
    ethyl acetate 34.35
    n-propanol 15.18
    acetone 33.97
    n-butanol 13.46
    acetonitrile 14.46
    DMF 162.43
    toluene 5.71
    isobutanol 10.84
    1,4-dioxane 76.58
    methyl acetate 21.53
    THF 92.76
    2-butanone 17.26
    n-pentanol 14.81
    sec-butanol 9.95
    n-hexane 0.17
    ethylene glycol 54.64
    NMP 68.12
    cyclohexane 0.26
    DMSO 309.9
    n-butyl acetate 13.24
    n-octanol 7.41
    chloroform 14.76
    n-propyl acetate 16.03
    acetic acid 147.98
    dichloromethane 19.45
    cyclohexanone 41.81
    propylene glycol 36.86
    isopropyl acetate 16.67
    DMAc 193.7
    2-ethoxyethanol 119.31
    isopentanol 16.75
    n-heptane 0.29
    ethyl formate 32.1
    1,2-dichloroethane 16.01
    n-hexanol 14.85
    2-methoxyethanol 166.86
    isobutyl acetate 10.82
    tetrachloromethane 2.11
    n-pentyl acetate 8.4
    transcutol 158.68
    n-heptanol 10.47
    ethylbenzene 4.23
    MIBK 18.22
    2-propoxyethanol 66.64
    tert-butanol 48.48
    MTBE 12.82
    2-butoxyethanol 35.03
    propionic acid 32.56
    o-xylene 7.03
    formic acid 205.82
    diethyl ether 5.57
    m-xylene 6.92
    p-xylene 5.66
    chlorobenzene 9.18
    dimethyl carbonate 23.64
    n-octane 0.31
    formamide 205.15
    cyclopentanone 54.91
    2-pentanone 18.97
    anisole 20.12
    cyclopentyl methyl ether 16.97
    gamma-butyrolactone 81.97
    1-methoxy-2-propanol 81.74
    pyridine 26.94
    3-pentanone 11.22
    furfural 110.8
    n-dodecane 0.39
    diethylene glycol 116.0
    diisopropyl ether 2.62
    tert-amyl alcohol 26.15
    acetylacetone 57.26
    n-hexadecane 0.43
    acetophenone 26.3
    methyl propionate 23.8
    isopentyl acetate 16.5
    trichloroethylene 38.72
    n-nonanol 7.83
    cyclohexanol 12.6
    benzyl alcohol 28.61
    2-ethylhexanol 8.55
    isooctanol 9.2
    dipropyl ether 5.25
    1,2-dichlorobenzene 11.42
    ethyl lactate 23.79
    propylene carbonate 47.97
    n-methylformamide 72.43
    2-pentanol 7.16
    n-pentane 0.11
    1-propoxy-2-propanol 34.39
    1-methoxy-2-propyl acetate 32.59
    2-(2-methoxypropoxy) propanol 42.21
    mesitylene 4.63
    ε-caprolactone 41.33
    p-cymene 4.23
    epichlorohydrin 81.33
    1,1,1-trichloroethane 8.87
    2-aminoethanol 58.47
    morpholine-4-carbaldehyde 122.5
    sulfolane 121.55
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 24.94
    n-hexyl acetate 12.21
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 55.72
    sec-butyl acetate 9.65
    tert-butyl acetate 24.15
    decalin 0.57
    glycerin 104.15
    diglyme 102.78
    acrylic acid 42.41
    isopropyl myristate 6.24
    n-butyric acid 46.03
    acetyl acetate 29.12
    di(2-ethylhexyl) phthalate 13.48
    ethyl propionate 14.58
    nitromethane 214.84
    1,2-diethoxyethane 23.49
    benzonitrile 20.94
    trioctyl phosphate 8.86
    1-bromopropane 2.98
    gamma-valerolactone 115.12
    n-decanol 6.34
    triethyl phosphate 13.02
    4-methyl-2-pentanol 8.31
    propionitrile 9.1
    vinylene carbonate 44.36
    1,1,2-trichlorotrifluoroethane 92.82
    DMS 19.33
    cumene 3.98
    2-octanol 5.62
    2-hexanone 14.02
    octyl acetate 8.62
    limonene 4.8
    1,2-dimethoxyethane 110.67
    ethyl orthosilicate 11.64
    tributyl phosphate 10.26
    diacetone alcohol 53.56
    N,N-dimethylaniline 16.07
    acrylonitrile 21.14
    aniline 17.19
    1,3-propanediol 78.25
    bromobenzene 6.98
    dibromomethane 8.03
    1,1,2,2-tetrachloroethane 31.15
    2-methyl-cyclohexyl acetate 15.81
    tetrabutyl urea 15.78
    diisobutyl methanol 6.5
    2-phenylethanol 24.09
    styrene 4.88
    dioctyl adipate 13.56
    dimethyl sulfate 55.68
    ethyl butyrate 12.24
    methyl lactate 38.87
    butyl lactate 16.95
    diethyl carbonate 12.33
    propanediol butyl ether 36.98
    triethyl orthoformate 12.91
    p-tert-butyltoluene 4.08
    methyl 4-tert-butylbenzoate 28.08
    morpholine 72.93
    tert-butylamine 10.42
    n-dodecanol 5.07
    dimethoxymethane 84.46
    ethylene carbonate 35.58
    cyrene 50.69
    2-ethoxyethyl acetate 21.27
    2-ethylhexyl acetate 10.16
    1,2,4-trichlorobenzene 15.06
    4-methylpyridine 24.22
    dibutyl ether 5.26
    2,6-dimethyl-4-heptanol 6.5
    DEF 38.91
    dimethyl isosorbide 62.83
    tetrachloroethylene 20.93
    eugenol 34.76
    triacetin 25.91
    span 80 30.13
    1,4-butanediol 45.46
    1,1-dichloroethane 7.36
    2-methyl-1-pentanol 17.56
    methyl formate 72.66
    2-methyl-1-butanol 12.84
    n-decane 0.53
    butyronitrile 11.64
    3,7-dimethyl-1-octanol 8.52
    1-chlorooctane 2.46
    1-chlorotetradecane 1.43
    n-nonane 0.41
    undecane 0.45
    tert-butylcyclohexane 0.53
    cyclooctane 0.21
    cyclopentanol 13.76
    tetrahydropyran 14.52
    tert-amyl methyl ether 10.55
    2,5,8-trioxanonane 80.96
    1-hexene 0.98
    2-isopropoxyethanol 58.48
    2,2,2-trifluoroethanol 60.09
    methyl butyrate 22.14

    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