N-Acetyl-L-tryptophan

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  • Identifiers

    CAS number
    1218-34-4

    Molecular formula
    C13H14N2O3

    SMILES
    CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.67%
    Savory 35.52%
    Fruity 31.99%
    Cooked 29.4%
    Meaty 28.98%
    Grape 28.51%
    Milky 23.71%
    Bitter 22.68%
    Roasted 20.77%
    Burnt 20.67%

     

    Flavor
    Odorless 62.49%
    Bitter 61.72%
    Mild 33.46%
    Bland 28.97%
    Very mild 26.77%
    Sweet-like 21.9%
    Yeast 21.2%
    Nitrile 20.11%
    Orange flower 19.81%
    Bread crust 19.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.25 (neutral)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    605°C

    Melting point expt.

    • 189.5 °C

    Flash point

    • 279.35 ˚C est.

  • Synonyms

    • N-Acetyl-L-tryptophan
    • 1218-34-4
    • Acetyl-L-tryptophan
    • L-Tryptophan, N-acetyl-
    • (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
    • L-ACETYLTRYPTOPHAN
    • Acetyltryptophan, L-
    • U9264T8OAE
    • CHEBI:74640
    • DTXSID10883669
    • NSC-90726
    • RefChem:828886
    • DTXCID801023176
    • 214-935-9
    • Ac-Trp-OH
    • (S)-N-Acetyltryptophan
    • Acetyl-L-trp
    • MFCD00065976
    • TRYPTOPHAN, N-ACETYL-, L-
    • (S)-2-Acetamido-3-(1H-indol-3-yl)propanoic acid
    • CHEMBL54170
    • N-acetyl tryptophan
    • acetyltryptophanate
    • UNII-U9264T8OAE
    • Ac-Trp
    • Tryptophan, acetyl
    • N-Acetyl-Trp-OH
    • N-acetyl-tryptophan
    • N-Acetyltryptophan CRS
    • Spectrum_000959
    • 2-Acetylamino-3-(1H-indol-3-yl)-propionic acid
    • Spectrum2_001348
    • Spectrum3_001396
    • Spectrum4_000551
    • Spectrum5_001350
    • SCHEMBL57141
    • BSPBio_003012
    • KBioGR_001241
    • KBioSS_001439
    • DivK1c_000385
    • SPECTRUM1500702
    • SPBio_001535
    • orb1298629
    • HMS501D07
    • KBio1_000385
    • KBio2_001439
    • KBio2_004007
    • KBio2_006575
    • KBio3_002232
    • N-Acetyl-L-tryptophan (Standard)
    • NINDS_000385
    • HMS1921E12
    • HY-W011978R
    • BDBM50043821
    • CCG-39286
    • EBC-47464
    • FD3078
    • AKOS010397427
    • AKOS015837748
    • CS-W012694
    • FA37435
    • HY-W011978
    • IDI1_000385
    • NCGC00094838-01
    • NCGC00094838-02
    • NCGC00094838-03
    • AS-57887
    • SY036184
    • A0121
    • NS00081448
    • EN300-263728
    • M03025
    • 218A344
    • (S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid
    • Q27144794
    • Z98653227
    • 38435FC5-4D99-4E9C-A55B-099BA6C5197C
    • (S)-N-Acetyltryptophan; Acetyl-L-tryptophan; Acetyltryptophan
    • N-Acetyltryptophan, European Pharmacopoeia (EP) Reference Standard
    • N-Acetyl-L-tryptophan, Pharmaceutical Secondary Standard; Certified Reference Material
    • 1218-34-4

  • Applications

    N-Acetyl-L-tryptophan (CAS 1218-34-4) is primarily used as a protected amino acid derivative and building block for the synthesis of tryptophan-containing peptides in pharmaceutical and biochemical research. It is commonly employed as a protecting-group-compatible starting material for peptide synthesis in laboratory settings and as a precursor for tryptophan-containing derivatives in medicinal chemistry. In drug discovery and enzymology studies, it serves as a scaffold for library development and as a reference compound for kinetic and structural analyses. It is also utilized as a reagent in method development and analytical validation in academic and industrial laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 3.18
    isopropanol 0.6
    water 1.54
    ethyl acetate 0.35
    n-propanol 0.85
    acetone 0.72
    n-butanol 0.72
    acetonitrile 0.25
    DMF 38.91
    toluene 0.01
    isobutanol 0.61
    1,4-dioxane 0.74
    methyl acetate 0.89
    THF 3.31
    2-butanone 1.53
    n-pentanol 0.85
    sec-butanol 1.08
    n-hexane 0.01
    ethylene glycol 8.81
    NMP 38.27
    cyclohexane 0.0
    DMSO 14.88
    n-butyl acetate 0.64
    n-octanol 0.13
    chloroform 0.09
    n-propyl acetate 0.65
    acetic acid 7.06
    dichloromethane 0.12
    cyclohexanone 0.95
    propylene glycol 7.44
    isopropyl acetate 0.3
    DMAc 103.11
    2-ethoxyethanol 23.44
    isopentanol 0.95
    n-heptane 0.01
    ethyl formate 1.0
    1,2-dichloroethane 0.11
    n-hexanol 0.55
    2-methoxyethanol 37.43
    isobutyl acetate 0.36
    tetrachloromethane 0.03
    n-pentyl acetate 0.35
    transcutol 16.36
    n-heptanol 0.37
    ethylbenzene 0.04
    MIBK 0.48
    2-propoxyethanol 11.18
    tert-butanol 1.0
    MTBE 0.29
    2-butoxyethanol 4.86
    propionic acid 2.24
    o-xylene 0.03
    formic acid 36.9
    diethyl ether 0.15
    m-xylene 0.02
    p-xylene 0.09
    chlorobenzene 0.03
    dimethyl carbonate 1.33
    n-octane 0.01
    formamide 52.26
    cyclopentanone 2.82
    2-pentanone 0.54
    anisole 0.4
    cyclopentyl methyl ether 0.31
    gamma-butyrolactone 6.05
    1-methoxy-2-propanol 13.82
    pyridine 0.42
    3-pentanone 0.47
    furfural 9.43
    n-dodecane 0.01
    diethylene glycol 25.56
    diisopropyl ether 0.06
    tert-amyl alcohol 1.76
    acetylacetone 1.39
    n-hexadecane 0.01
    acetophenone 0.98
    methyl propionate 0.8
    isopentyl acetate 0.93
    trichloroethylene 0.27
    n-nonanol 0.18
    cyclohexanol 0.3
    benzyl alcohol 0.85
    2-ethylhexanol 0.33
    isooctanol 0.39
    dipropyl ether 0.25
    1,2-dichlorobenzene 0.07
    ethyl lactate 3.01
    propylene carbonate 2.73
    n-methylformamide 11.92
    2-pentanol 0.35
    n-pentane 0.0
    1-propoxy-2-propanol 4.69
    1-methoxy-2-propyl acetate 2.2
    2-(2-methoxypropoxy) propanol 8.7
    mesitylene 0.02
    ε-caprolactone 2.13
    p-cymene 0.06
    epichlorohydrin 3.17
    1,1,1-trichloroethane 0.06
    2-aminoethanol 11.02
    morpholine-4-carbaldehyde 29.93
    sulfolane 16.03
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.04
    n-hexyl acetate 0.35
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.3
    sec-butyl acetate 0.48
    tert-butyl acetate 0.59
    decalin 0.01
    glycerin 39.89
    diglyme 14.73
    acrylic acid 3.74
    isopropyl myristate 0.22
    n-butyric acid 1.69
    acetyl acetate 0.29
    di(2-ethylhexyl) phthalate 0.92
    ethyl propionate 0.69
    nitromethane 11.0
    1,2-diethoxyethane 0.91
    benzonitrile 0.3
    trioctyl phosphate 0.44
    1-bromopropane 0.05
    gamma-valerolactone 12.41
    n-decanol 0.16
    triethyl phosphate 1.35
    4-methyl-2-pentanol 0.35
    propionitrile 0.23
    vinylene carbonate 1.72
    1,1,2-trichlorotrifluoroethane 12.36
    DMS 1.2
    cumene 0.06
    2-octanol 0.19
    2-hexanone 1.0
    octyl acetate 0.31
    limonene 0.07
    1,2-dimethoxyethane 15.57
    ethyl orthosilicate 1.11
    tributyl phosphate 0.7
    diacetone alcohol 4.2
    N,N-dimethylaniline 0.44
    acrylonitrile 0.5
    aniline 0.11
    1,3-propanediol 10.71
    bromobenzene 0.02
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.3
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 1.48
    diisobutyl methanol 0.23
    2-phenylethanol 0.72
    styrene 0.04
    dioctyl adipate 0.67
    dimethyl sulfate 5.7
    ethyl butyrate 0.77
    methyl lactate 5.71
    butyl lactate 1.97
    diethyl carbonate 0.81
    propanediol butyl ether 4.96
    triethyl orthoformate 1.15
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 2.02
    morpholine 1.93
    tert-butylamine 0.19
    n-dodecanol 0.13
    dimethoxymethane 4.84
    ethylene carbonate 0.99
    cyrene 12.51
    2-ethoxyethyl acetate 1.34
    2-ethylhexyl acetate 0.62
    1,2,4-trichlorobenzene 0.13
    4-methylpyridine 0.28
    dibutyl ether 0.15
    2,6-dimethyl-4-heptanol 0.23
    DEF 2.8
    dimethyl isosorbide 11.25
    tetrachloroethylene 0.24
    eugenol 4.2
    triacetin 1.75
    span 80 3.51
    1,4-butanediol 6.39
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 1.27
    methyl formate 5.41
    2-methyl-1-butanol 1.13
    n-decane 0.01
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.03
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.82
    tetrahydropyran 0.23
    tert-amyl methyl ether 0.52
    2,5,8-trioxanonane 12.74
    1-hexene 0.06
    2-isopropoxyethanol 8.1
    2,2,2-trifluoroethanol 5.8
    methyl butyrate 1.41

    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