N-Acetyl-L-proline

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  • Identifiers

    CAS number
    68-95-1

    Molecular formula
    C7H11NO3

    SMILES
    CC(=O)N1CCC[C@H]1C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.33%
    Sweet 32.4%
    Nutty 31.31%
    Popcorn 28.93%
    Roasted 27.66%
    Caramellic 25.71%
    Burnt 23.34%
    Savory 20.98%
    Buttery 19.38%
    Cooked 18.05%

     

    Flavor
    Odorless 47.61%
    Very mild 27.98%
    Bitter 27.37%
    Nutty 26.01%
    Mild 23.7%
    Yeast 21.11%
    Taco 20.92%
    Cooked 20.83%
    Bread crust 20.6%
    Roasted 20.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.71 (neutral)

    Molecular weight
    157.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 159.51 ˚C est.

    Solubility expt.

    • >23.6 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • N-Acetyl-L-proline
    • 68-95-1
    • 1-Acetyl-L-proline
    • Acetyl proline
    • (2S)-1-acetylpyrrolidine-2-carboxylic acid
    • L-Proline, 1-acetyl-
    • (S)-1-acetylpyrrolidine-2-carboxylic acid
    • Proline, 1-acetyl-, L-
    • (s)-n-acetylproline
    • (S)-(-)-N-acetylproline
    • CC8XZ138VZ
    • CHEBI:21560
    • DTXSID00910312
    • NSC-280718
    • RefChem:552461
    • DTXCID301339360
    • 200-698-9
    • Ac-Pro-OH
    • N-Acetylproline
    • Acetylproline
    • Acetyl-L-Proline
    • MFCD00020837
    • (S)-1-Acetyl-pyrrolidine-2-carboxylic acid
    • N7P
    • UNII-CC8XZ138VZ
    • acetyl-proline
    • 4avs
    • N-Acetyl Proline
    • 1-Acetylproline #
    • EINECS 200-698-9
    • NSC 280718
    • DL-Proline, 1-acetyl-
    • MLS000774349
    • SCHEMBL358379
    • CHEMBL1234599
    • HMS2765I14
    • EBC-48077
    • MSK170582
    • AKOS000302142
    • AKOS001121369
    • CS-W004114
    • DB03360
    • FA10864
    • HY-W004114
    • (S)-acetyl-pyrrolidine-2-carboxylic acid
    • DS-13404
    • SMR000365399
    • SY008844
    • NS00041126
    • A44136
    • EN300-211779
    • 020A837
    • F060306
    • Q27094301
    • Z85923459
    • N-AN-Acetyl-L-prolineN-Acetyl-L-prolinecetyl-L-proline
    • 68-95-1

  • Applications

    N-Acetyl-L-proline (CAS 68-95-1) is a protected amino acid derivative used mainly as a building block in peptide and pharmaceutical synthesis, enabling the construction of short peptides and peptidomimetics with N-acetyl protection. It also serves as a protecting-group precursor for the amino function in peptide chemistry, supporting selective coupling steps. Additionally, N-acetyl-L-proline and its derivatives are explored as chiral building blocks and organocatalyst precursors for enantioselective transformations in organic synthesis. Finally, it can serve as a starting material for the synthesis of peptidomimetics and related compounds studied in medicinal chemistry research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.4
    methanol 824.14
    isopropanol 195.34
    water 180.56
    ethyl acetate 16.25
    n-propanol 313.09
    acetone 71.78
    n-butanol 138.42
    acetonitrile 139.51
    DMF 474.12
    toluene 9.64
    isobutanol 143.61
    1,4-dioxane 74.26
    methyl acetate 26.0
    THF 139.47
    2-butanone 37.94
    n-pentanol 97.92
    sec-butanol 129.21
    n-hexane 0.8
    ethylene glycol 255.06
    NMP 196.34
    cyclohexane 0.33
    DMSO 613.25
    n-butyl acetate 18.41
    n-octanol 21.5
    chloroform 82.05
    n-propyl acetate 12.99
    acetic acid 156.14
    dichloromethane 190.83
    cyclohexanone 56.34
    propylene glycol 182.08
    isopropyl acetate 13.16
    DMAc 204.75
    2-ethoxyethanol 216.27
    isopentanol 81.04
    n-heptane 0.54
    ethyl formate 67.44
    1,2-dichloroethane 85.28
    n-hexanol 45.6
    2-methoxyethanol 431.02
    isobutyl acetate 9.48
    tetrachloromethane 8.86
    n-pentyl acetate 16.56
    transcutol 116.55
    n-heptanol 23.23
    ethylbenzene 6.34
    MIBK 26.41
    2-propoxyethanol 138.93
    tert-butanol 115.74
    MTBE 23.1
    2-butoxyethanol 65.29
    propionic acid 78.01
    o-xylene 9.51
    formic acid 472.59
    diethyl ether 17.97
    m-xylene 11.13
    p-xylene 7.94
    chlorobenzene 21.42
    dimethyl carbonate 15.88
    n-octane 0.57
    formamide 368.47
    cyclopentanone 101.97
    2-pentanone 32.88
    anisole 22.96
    cyclopentyl methyl ether 30.46
    gamma-butyrolactone 139.9
    1-methoxy-2-propanol 194.46
    pyridine 64.17
    3-pentanone 16.38
    furfural 174.92
    n-dodecane 0.79
    diethylene glycol 192.13
    diisopropyl ether 4.28
    tert-amyl alcohol 81.28
    acetylacetone 37.17
    n-hexadecane 0.86
    acetophenone 26.94
    methyl propionate 23.03
    isopentyl acetate 18.67
    trichloroethylene 107.61
    n-nonanol 18.94
    cyclohexanol 39.84
    benzyl alcohol 48.36
    2-ethylhexanol 16.99
    isooctanol 17.6
    dipropyl ether 8.0
    1,2-dichlorobenzene 23.71
    ethyl lactate 25.57
    propylene carbonate 50.38
    n-methylformamide 377.35
    2-pentanol 49.13
    n-pentane 0.8
    1-propoxy-2-propanol 59.81
    1-methoxy-2-propyl acetate 29.22
    2-(2-methoxypropoxy) propanol 45.21
    mesitylene 6.64
    ε-caprolactone 52.64
    p-cymene 6.15
    epichlorohydrin 172.9
    1,1,1-trichloroethane 24.01
    2-aminoethanol 400.67
    morpholine-4-carbaldehyde 185.85
    sulfolane 186.83
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 57.86
    n-hexyl acetate 22.55
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 61.7
    sec-butyl acetate 9.12
    tert-butyl acetate 17.91
    decalin 0.97
    glycerin 253.82
    diglyme 96.58
    acrylic acid 83.34
    isopropyl myristate 9.47
    n-butyric acid 79.43
    acetyl acetate 13.35
    di(2-ethylhexyl) phthalate 17.82
    ethyl propionate 12.61
    nitromethane 193.04
    1,2-diethoxyethane 23.25
    benzonitrile 47.99
    trioctyl phosphate 13.58
    1-bromopropane 29.04
    gamma-valerolactone 160.51
    n-decanol 13.74
    triethyl phosphate 12.48
    4-methyl-2-pentanol 25.84
    propionitrile 73.98
    vinylene carbonate 56.97
    1,1,2-trichlorotrifluoroethane 123.91
    DMS 19.22
    cumene 6.33
    2-octanol 15.31
    2-hexanone 19.76
    octyl acetate 13.84
    limonene 7.15
    1,2-dimethoxyethane 152.52
    ethyl orthosilicate 11.66
    tributyl phosphate 13.62
    diacetone alcohol 51.4
    N,N-dimethylaniline 20.68
    acrylonitrile 130.04
    aniline 33.71
    1,3-propanediol 289.87
    bromobenzene 16.98
    dibromomethane 73.86
    1,1,2,2-tetrachloroethane 68.88
    2-methyl-cyclohexyl acetate 15.72
    tetrabutyl urea 20.82
    diisobutyl methanol 10.3
    2-phenylethanol 35.32
    styrene 7.0
    dioctyl adipate 15.02
    dimethyl sulfate 53.14
    ethyl butyrate 13.02
    methyl lactate 47.83
    butyl lactate 25.11
    diethyl carbonate 10.11
    propanediol butyl ether 60.3
    triethyl orthoformate 11.81
    p-tert-butyltoluene 5.88
    methyl 4-tert-butylbenzoate 31.7
    morpholine 123.66
    tert-butylamine 37.41
    n-dodecanol 9.75
    dimethoxymethane 130.09
    ethylene carbonate 41.19
    cyrene 58.5
    2-ethoxyethyl acetate 23.66
    2-ethylhexyl acetate 13.11
    1,2,4-trichlorobenzene 27.7
    4-methylpyridine 63.34
    dibutyl ether 8.93
    2,6-dimethyl-4-heptanol 10.3
    DEF 55.83
    dimethyl isosorbide 64.24
    tetrachloroethylene 45.8
    eugenol 43.19
    triacetin 21.66
    span 80 35.09
    1,4-butanediol 160.85
    1,1-dichloroethane 46.24
    2-methyl-1-pentanol 57.28
    methyl formate 205.56
    2-methyl-1-butanol 84.45
    n-decane 1.14
    butyronitrile 74.41
    3,7-dimethyl-1-octanol 17.84
    1-chlorooctane 6.55
    1-chlorotetradecane 2.84
    n-nonane 0.95
    undecane 0.94
    tert-butylcyclohexane 1.16
    cyclooctane 0.29
    cyclopentanol 82.38
    tetrahydropyran 31.25
    tert-amyl methyl ether 20.06
    2,5,8-trioxanonane 70.55
    1-hexene 4.96
    2-isopropoxyethanol 85.49
    2,2,2-trifluoroethanol 84.75
    methyl butyrate 22.04

    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