N-((1R)-1-Phenylethyl)glycine ethyl ester

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  • Identifiers

    CAS number
    66512-37-6

    Molecular formula
    C12H17NO2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 35.94%
    Fruity 34.58%
    Grape 32.63%
    Floral 30.79%
    Odorless 28.35%
    Citrus 26.3%
    Savory 22.34%
    Grapefruit 21.91%
    Bitter 20.43%
    Chocolate 19.72%

     

    Flavor
    Fruity 52.11%
    Floral 35.9%
    Mild 33.62%
    Bitter 32.14%
    Sweet 31.11%
    Odorless 27.38%
    Tropical 26.43%
    Waxy 23.54%
    Grape 23.46%
    Wine 21.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.57 (neutral)

    Molecular weight
    207.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 141.25 ˚C est.

  • Synonyms

    • 66512-37-6
    • Ethyl (R)-N-(1-phenylethyl)glycinate
    • DTXSID10216716
    • RefChem:1090659
    • DTXCID40139207
    • N-((1R)-1-Phenylethyl)glycine ethyl ester
    • 266-385-4
    • Ethyl (R)-[(1-Phenylethyl)amino]acetate
    • R(+)-TRANS[ETHOXY CARBONYLMETHYL]-1-PHENYLETHYLAMINE
    • ethyl 2-[[(1R)-1-phenylethyl]amino]acetate
    • MFCD06797321
    • (R)-Ethyl 2-((1-phenylethyl)amino)acetate
    • ETHYL 2-{[(1R)-1-PHENYLETHYL]AMINO}ACETATE
    • Glycine, N-[(1R)-1-phenylethyl]-, ethyl ester
    • EINECS 266-385-4
    • Ethyl(R)-[(1-Phenylethyl)amino]acetate
    • SCHEMBL25831273
    • Ethyl (R)-(1-phenylethyl)glycinate
    • AKOS013180809
    • Ethyl N-[(1R)-1-phenylethyl]glycinate
    • AS-31846
    • SY005447
    • ethyl {[(1R)-1-phenylethyl]amino}acetate
    • DB-020208
    • CS-0454696
    • ethyl {[(1R)-1-phenylethyl]-amino}acetate
    • NS00036045
    • 66512-37-6

  • Applications

    N-((1R)-1-Phenylethyl)glycine ethyl ester (CAS 66512-37-6) is a chiral amino acid derivative primarily used as an intermediate in pharmaceutical and chemical research, acting as a protected glycine building block for peptide and peptidomimetic synthesis; it can function as a chiral auxiliary or ligand in asymmetric synthesis to induce enantioenrichment; it provides routes to N-aryl glycine derivatives and enantioenriched amines, enabling access to constrained amino acid motifs and drug-like scaffolds; it is also used as a versatile intermediate for library generation in medicinal chemistry and as a precursor in small-scale industrial manufacturing for further functionalization of glycine-based units.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.31
    methanol 261.06
    isopropanol 43.25
    water 1.88
    ethyl acetate 70.79
    n-propanol 72.52
    acetone 93.63
    n-butanol 62.33
    acetonitrile 58.14
    DMF 348.41
    toluene 29.11
    isobutanol 42.74
    1,4-dioxane 147.47
    methyl acetate 56.92
    THF 126.76
    2-butanone 66.15
    n-pentanol 52.12
    sec-butanol 36.41
    n-hexane 1.7
    ethylene glycol 73.12
    NMP 237.45
    cyclohexane 3.16
    DMSO 664.06
    n-butyl acetate 62.58
    n-octanol 14.93
    chloroform 313.62
    n-propyl acetate 45.57
    acetic acid 218.85
    dichloromethane 353.05
    cyclohexanone 141.97
    propylene glycol 60.55
    isopropyl acetate 40.06
    DMAc 358.55
    2-ethoxyethanol 121.46
    isopentanol 51.51
    n-heptane 1.19
    ethyl formate 56.71
    1,2-dichloroethane 244.09
    n-hexanol 47.57
    2-methoxyethanol 190.86
    isobutyl acetate 34.68
    tetrachloromethane 23.59
    n-pentyl acetate 27.06
    transcutol 459.28
    n-heptanol 18.31
    ethylbenzene 17.48
    MIBK 41.61
    2-propoxyethanol 105.78
    tert-butanol 66.09
    MTBE 41.83
    2-butoxyethanol 53.79
    propionic acid 92.52
    o-xylene 28.84
    formic acid 161.28
    diethyl ether 39.07
    m-xylene 24.59
    p-xylene 22.97
    chlorobenzene 82.2
    dimethyl carbonate 39.18
    n-octane 0.76
    formamide 203.79
    cyclopentanone 162.23
    2-pentanone 55.9
    anisole 55.84
    cyclopentyl methyl ether 53.44
    gamma-butyrolactone 200.84
    1-methoxy-2-propanol 97.77
    pyridine 126.06
    3-pentanone 55.46
    furfural 208.87
    n-dodecane 0.99
    diethylene glycol 130.24
    diisopropyl ether 10.88
    tert-amyl alcohol 51.46
    acetylacetone 97.32
    n-hexadecane 1.12
    acetophenone 63.73
    methyl propionate 63.09
    isopentyl acetate 57.03
    trichloroethylene 413.96
    n-nonanol 14.89
    cyclohexanol 51.05
    benzyl alcohol 55.3
    2-ethylhexanol 26.76
    isooctanol 16.42
    dipropyl ether 21.08
    1,2-dichlorobenzene 89.26
    ethyl lactate 39.39
    propylene carbonate 102.07
    n-methylformamide 136.19
    2-pentanol 25.5
    n-pentane 1.22
    1-propoxy-2-propanol 63.05
    1-methoxy-2-propyl acetate 71.8
    2-(2-methoxypropoxy) propanol 73.35
    mesitylene 16.77
    ε-caprolactone 116.88
    p-cymene 15.91
    epichlorohydrin 236.68
    1,1,1-trichloroethane 110.74
    2-aminoethanol 100.13
    morpholine-4-carbaldehyde 207.25
    sulfolane 341.96
    2,2,4-trimethylpentane 2.31
    2-methyltetrahydrofuran 80.71
    n-hexyl acetate 40.45
    isooctane 1.54
    2-(2-butoxyethoxy)ethanol 96.78
    sec-butyl acetate 32.48
    tert-butyl acetate 51.69
    decalin 3.85
    glycerin 118.41
    diglyme 185.37
    acrylic acid 109.55
    isopropyl myristate 15.7
    n-butyric acid 108.57
    acetyl acetate 63.37
    di(2-ethylhexyl) phthalate 29.0
    ethyl propionate 43.51
    nitromethane 280.23
    1,2-diethoxyethane 83.46
    benzonitrile 63.34
    trioctyl phosphate 16.95
    1-bromopropane 62.18
    gamma-valerolactone 212.03
    n-decanol 11.59
    triethyl phosphate 34.07
    4-methyl-2-pentanol 21.41
    propionitrile 53.65
    vinylene carbonate 106.96
    1,1,2-trichlorotrifluoroethane 221.66
    DMS 58.78
    cumene 15.66
    2-octanol 10.38
    2-hexanone 44.7
    octyl acetate 20.74
    limonene 21.93
    1,2-dimethoxyethane 146.58
    ethyl orthosilicate 31.92
    tributyl phosphate 25.11
    diacetone alcohol 72.11
    N,N-dimethylaniline 44.05
    acrylonitrile 84.12
    aniline 66.92
    1,3-propanediol 110.55
    bromobenzene 79.82
    dibromomethane 179.3
    1,1,2,2-tetrachloroethane 338.01
    2-methyl-cyclohexyl acetate 45.91
    tetrabutyl urea 34.05
    diisobutyl methanol 15.84
    2-phenylethanol 52.41
    styrene 24.41
    dioctyl adipate 34.16
    dimethyl sulfate 101.34
    ethyl butyrate 44.44
    methyl lactate 55.39
    butyl lactate 37.21
    diethyl carbonate 40.28
    propanediol butyl ether 56.02
    triethyl orthoformate 38.18
    p-tert-butyltoluene 14.68
    methyl 4-tert-butylbenzoate 53.92
    morpholine 156.73
    tert-butylamine 31.18
    n-dodecanol 9.31
    dimethoxymethane 113.38
    ethylene carbonate 85.21
    cyrene 82.95
    2-ethoxyethyl acetate 61.44
    2-ethylhexyl acetate 44.05
    1,2,4-trichlorobenzene 107.82
    4-methylpyridine 92.41
    dibutyl ether 19.36
    2,6-dimethyl-4-heptanol 15.84
    DEF 102.73
    dimethyl isosorbide 118.15
    tetrachloroethylene 205.15
    eugenol 61.11
    triacetin 59.87
    span 80 54.44
    1,4-butanediol 55.19
    1,1-dichloroethane 130.11
    2-methyl-1-pentanol 48.2
    methyl formate 92.74
    2-methyl-1-butanol 47.74
    n-decane 1.39
    butyronitrile 49.89
    3,7-dimethyl-1-octanol 19.4
    1-chlorooctane 9.79
    1-chlorotetradecane 4.45
    n-nonane 1.13
    undecane 1.14
    tert-butylcyclohexane 3.38
    cyclooctane 1.14
    cyclopentanol 50.42
    tetrahydropyran 82.18
    tert-amyl methyl ether 35.48
    2,5,8-trioxanonane 135.54
    1-hexene 10.86
    2-isopropoxyethanol 71.72
    2,2,2-trifluoroethanol 86.94
    methyl butyrate 63.08

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
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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