Ethyl serinate

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  • Identifiers

    CAS number
    4117-31-1

    Molecular formula
    C5H11NO3

    SMILES
    CCOC(=O)[C@H](CO)N

    Safety labels

  • Odor profile

    Fragrance
    Fruity 65.62%
    Sweet 43.93%
    Odorless 31.22%
    Winey 29.83%
    Grape 27.36%
    Caramellic 27.34%
    Ethereal 25.81%
    Buttery 25.08%
    Fresh 22.02%
    Tropical 20.67%

     

    Flavor
    Odorless 48.31%
    Fruity 42.71%
    Mild 30.59%
    Very mild 25.24%
    Sweet-like 25.0%
    Yeast 23.27%
    Bland 23.13%
    Bitter 22.38%
    Grape 21.34%
    Marshmallow 21.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    6.7 (neutral)

    Molecular weight
    133.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    214°C

    Flash point

    • 111.97 ˚C est.

  • Synonyms

    • ETHYL SERINATE
    • Ethyl L-serinate
    • L-Serine, ethyl ester
    • Serine, ethyl ester
    • 4117-31-1
    • Serine, ethyl ester, L-
    • 9MX1IU843K
    • DTXSID70194102
    • RefChem:1085101
    • DTXCID40116593
    • ethyl (2S)-2-amino-3-hydroxypropanoate
    • (S)-ETHYL 2-AMINO-3-HYDROXYPROPANOATE
    • UNII-9MX1IU843K
    • serine ethyl ester
    • SCHEMBL366162
    • GKCXXDSWWDWUHS-BYPYZUCNSA-
    • Ethyl 2-amino-3-hydroxypropanoate #
    • AKOS015932671
    • PD196990
    • CS-0087925
    • NS00114026
    • (S)-ETHYL2-AMINO-3-HYDROXYPROPANOATE
    • EN300-225747
    • Q27272758
    • InChI=1/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1
    • 4117-31-1

  • Applications

    Ethyl serinate (CAS 4117-31-1) is the ethyl ester of serine and is primarily used as an intermediate and building block in pharmaceutical and fine chemical synthesis; it serves as a scaffold for serine-derived compounds and amino-acid-containing structures, and is commonly employed in peptide synthesis as a precursor or starting material for serine-containing motifs; it is also regarded as a precursor for protective-group manipulations and related synthetic routes to serine derivatives; in cosmetics and personal care, it may be considered as a precursor for amino-acid ester formulations; in research and development, it is evaluated as a reagent for specialty synthetic applications involving serine esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.01
    methanol 145.03
    isopropanol 17.59
    water 206.15
    ethyl acetate 3.87
    n-propanol 23.49
    acetone 10.09
    n-butanol 15.4
    acetonitrile 12.76
    DMF 155.99
    toluene 1.23
    isobutanol 15.41
    1,4-dioxane 24.8
    methyl acetate 5.65
    THF 19.31
    2-butanone 6.83
    n-pentanol 13.3
    sec-butanol 14.24
    n-hexane 0.46
    ethylene glycol 129.62
    NMP 161.18
    cyclohexane 1.05
    DMSO 331.65
    n-butyl acetate 3.86
    n-octanol 7.38
    chloroform 7.41
    n-propyl acetate 3.88
    acetic acid 101.47
    dichloromethane 17.09
    cyclohexanone 23.01
    propylene glycol 70.13
    isopropyl acetate 2.66
    DMAc 121.75
    2-ethoxyethanol 54.88
    isopentanol 12.27
    n-heptane 0.8
    ethyl formate 14.75
    1,2-dichloroethane 10.06
    n-hexanol 9.27
    2-methoxyethanol 106.23
    isobutyl acetate 2.76
    tetrachloromethane 1.72
    n-pentyl acetate 4.14
    transcutol 47.12
    n-heptanol 7.52
    ethylbenzene 1.69
    MIBK 4.2
    2-propoxyethanol 33.06
    tert-butanol 18.47
    MTBE 4.71
    2-butoxyethanol 22.13
    propionic acid 35.78
    o-xylene 3.16
    formic acid 257.1
    diethyl ether 2.69
    m-xylene 1.94
    p-xylene 2.57
    chlorobenzene 3.85
    dimethyl carbonate 5.6
    n-octane 0.47
    formamide 153.03
    cyclopentanone 25.36
    2-pentanone 4.28
    anisole 5.76
    cyclopentyl methyl ether 6.81
    gamma-butyrolactone 41.43
    1-methoxy-2-propanol 46.41
    pyridine 12.83
    3-pentanone 4.31
    furfural 69.96
    n-dodecane 0.45
    diethylene glycol 70.33
    diisopropyl ether 1.25
    tert-amyl alcohol 16.95
    acetylacetone 8.16
    n-hexadecane 0.49
    acetophenone 10.96
    methyl propionate 6.65
    isopentyl acetate 4.52
    trichloroethylene 15.11
    n-nonanol 6.51
    cyclohexanol 15.33
    benzyl alcohol 16.26
    2-ethylhexanol 6.24
    isooctanol 6.5
    dipropyl ether 3.13
    1,2-dichlorobenzene 6.8
    ethyl lactate 13.6
    propylene carbonate 22.3
    n-methylformamide 82.65
    2-pentanol 6.56
    n-pentane 0.52
    1-propoxy-2-propanol 17.79
    1-methoxy-2-propyl acetate 8.32
    2-(2-methoxypropoxy) propanol 25.07
    mesitylene 1.99
    ε-caprolactone 25.02
    p-cymene 3.01
    epichlorohydrin 29.81
    1,1,1-trichloroethane 3.14
    2-aminoethanol 101.25
    morpholine-4-carbaldehyde 111.9
    sulfolane 133.06
    2,2,4-trimethylpentane 0.72
    2-methyltetrahydrofuran 11.46
    n-hexyl acetate 6.59
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 27.84
    sec-butyl acetate 2.46
    tert-butyl acetate 4.05
    decalin 0.87
    glycerin 145.39
    diglyme 47.35
    acrylic acid 57.39
    isopropyl myristate 3.2
    n-butyric acid 25.79
    acetyl acetate 4.39
    di(2-ethylhexyl) phthalate 10.41
    ethyl propionate 4.07
    nitromethane 74.2
    1,2-diethoxyethane 6.42
    benzonitrile 12.32
    trioctyl phosphate 7.23
    1-bromopropane 3.2
    gamma-valerolactone 62.5
    n-decanol 5.01
    triethyl phosphate 6.19
    4-methyl-2-pentanol 4.79
    propionitrile 8.95
    vinylene carbonate 28.07
    1,1,2-trichlorotrifluoroethane 73.89
    DMS 7.28
    cumene 2.36
    2-octanol 4.44
    2-hexanone 4.68
    octyl acetate 4.95
    limonene 4.46
    1,2-dimethoxyethane 41.62
    ethyl orthosilicate 5.43
    tributyl phosphate 6.89
    diacetone alcohol 15.01
    N,N-dimethylaniline 8.55
    acrylonitrile 19.97
    aniline 7.22
    1,3-propanediol 71.32
    bromobenzene 2.76
    dibromomethane 7.73
    1,1,2,2-tetrachloroethane 14.71
    2-methyl-cyclohexyl acetate 8.13
    tetrabutyl urea 11.79
    diisobutyl methanol 4.13
    2-phenylethanol 12.21
    styrene 1.81
    dioctyl adipate 8.08
    dimethyl sulfate 26.21
    ethyl butyrate 4.41
    methyl lactate 26.78
    butyl lactate 11.38
    diethyl carbonate 3.94
    propanediol butyl ether 28.66
    triethyl orthoformate 5.03
    p-tert-butyltoluene 2.73
    methyl 4-tert-butylbenzoate 16.95
    morpholine 33.33
    tert-butylamine 8.31
    n-dodecanol 3.97
    dimethoxymethane 23.7
    ethylene carbonate 18.33
    cyrene 50.39
    2-ethoxyethyl acetate 7.25
    2-ethylhexyl acetate 3.44
    1,2,4-trichlorobenzene 9.34
    4-methylpyridine 10.27
    dibutyl ether 2.84
    2,6-dimethyl-4-heptanol 4.13
    DEF 22.19
    dimethyl isosorbide 36.13
    tetrachloroethylene 10.82
    eugenol 22.59
    triacetin 12.52
    span 80 24.74
    1,4-butanediol 47.14
    1,1-dichloroethane 3.65
    2-methyl-1-pentanol 12.2
    methyl formate 49.98
    2-methyl-1-butanol 13.51
    n-decane 0.6
    butyronitrile 8.86
    3,7-dimethyl-1-octanol 6.79
    1-chlorooctane 2.24
    1-chlorotetradecane 1.17
    n-nonane 0.56
    undecane 0.5
    tert-butylcyclohexane 0.75
    cyclooctane 0.56
    cyclopentanol 20.84
    tetrahydropyran 7.91
    tert-amyl methyl ether 5.39
    2,5,8-trioxanonane 41.5
    1-hexene 1.17
    2-isopropoxyethanol 24.49
    2,2,2-trifluoroethanol 46.37
    methyl butyrate 7.72

    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