Oxaceprol

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  • Identifiers

    CAS number
    33996-33-7

    Molecular formula
    C7H11NO4

    SMILES
    CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 70.88%
    Sweet 36.69%
    Nutty 22.35%
    Caramellic 21.72%
    Savory 21.16%
    Popcorn 20.89%
    Burnt 18.96%
    Roasted 18.81%
    Buttery 18.61%
    Milky 18.38%

     

    Flavor
    Odorless 53.59%
    Bitter 38.48%
    Very mild 29.38%
    Mild 24.25%
    Bland 22.55%
    Sweet-like 21.91%
    Yeast 21.09%
    Bread crust 20.06%
    Roasted peanuts 19.79%
    Taco 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    6.05 (neutral)

    Molecular weight
    173.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Flash point

    • 197.37 ˚C est.

    Solubility expt.

    • >26 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Oxaceprol
    • 33996-33-7
    • (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
    • Jonctum
    • acetyl hydroxyproline
    • Oxaceprolum
    • N-Acetylhydroxyproline
    • Q0XV76B96L
    • DTXSID2046410
    • (-)-1-Acetyl-4-hydroxy-L-proline
    • DTXCID0026410
    • RefChem:55788
    • 1-Acetyl-4-hydroxy-L-proline
    • D11AX09
    • M01AX24
    • 251-780-6
    • N-acetyl-4-hydroxyproline
    • N-Acetyl-L-hydroxyproline
    • AC-HYP-OH
    • N-Acetyl-trans-4-hydroxy-L-proline
    • Oxaceprol [INN]
    • trans-1-Acetyl-4-hydroxy-l-proline
    • MFCD00037339
    • L-Proline, 1-acetyl-4-hydroxy-, (4R)-
    • (4R)-1-acetyl-4-hydroxy-L-proline
    • Acetyl-L-4-hydroxyproline
    • Oxaceprol (INN)
    • (2s,4r)-1-acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid
    • Tejuntivo
    • SMR000857165
    • CAS-33996-33-7
    • Oxaceprolum [INN-Latin]
    • UNII-Q0XV76B96L
    • AHP 200
    • NCGC00164517-01
    • EINECS 251-780-6
    • Jonctum (TN)
    • Oxaceprol (Standard)
    • OXACEPROL [MI]
    • OXACEPROL [MART.]
    • OXACEPROL [WHO-DD]
    • SCHEMBL25976
    • MLS001332445
    • MLS001332446
    • CHEMBL1407356
    • CHEBI:233149
    • HMS2231J23
    • N-Acetyl-L-4-trans-hydroxyproline
    • Tox21_112152
    • AB1252
    • EBC-13922
    • HY-17490R
    • SBB037954
    • AKOS012536015
    • AKOS015837714
    • Tox21_112152_1
    • CCG-266379
    • CS-5680
    • DB13363
    • FA47431
    • Nalpha-Acetyl-L-4-trans-hydroxyproline
    • NCGC00274081-01
    • HY-17490
    • ST086508
    • SY009538
    • TS-00164
    • DB-009006
    • NS00100258
    • S3997
    • trans-1-Acetyl-4-hydroxy-L-proline, >=98%
    • D07215
    • EN300-1703718
    • 996A337
    • F239159
    • Q408948
    • Z1160837276
    • (2S,4R)-1-acetyl-4-hydroxy-2-pyrrolidinecarboxylic acid
    • InChI=1/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s
    • 33996-33-7

  • Applications

    Oxaceprol (CAS 33996-33-7) is primarily used as an intermediate in organic synthesis for pharmaceutical development, where it can serve as a building block in the preparation of active pharmaceutical ingredients. It is also evaluated for use in cosmetics and personal care as an excipient or conditioning agent, and may be considered in cleaning formulations as a stabilizer or chelating component. In coatings and inks, it may be employed as an additive to modify properties. In polymers and plastics, it can act as a chemical intermediate or crosslinking precursor in specialized formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.73
    methanol 60.1
    isopropanol 15.54
    water 124.71
    ethyl acetate 2.63
    n-propanol 16.2
    acetone 9.29
    n-butanol 11.82
    acetonitrile 7.43
    DMF 177.67
    toluene 0.81
    isobutanol 8.5
    1,4-dioxane 12.62
    methyl acetate 3.58
    THF 31.84
    2-butanone 4.46
    n-pentanol 7.84
    sec-butanol 9.36
    n-hexane 0.16
    ethylene glycol 66.35
    NMP 72.09
    cyclohexane 0.1
    DMSO 306.76
    n-butyl acetate 3.38
    n-octanol 4.33
    chloroform 5.4
    n-propyl acetate 2.12
    acetic acid 21.14
    dichloromethane 12.72
    cyclohexanone 9.53
    propylene glycol 33.44
    isopropyl acetate 2.01
    DMAc 96.84
    2-ethoxyethanol 58.17
    isopentanol 10.58
    n-heptane 0.18
    ethyl formate 20.78
    1,2-dichloroethane 7.55
    n-hexanol 6.87
    2-methoxyethanol 129.94
    isobutyl acetate 1.24
    tetrachloromethane 1.77
    n-pentyl acetate 2.78
    transcutol 21.78
    n-heptanol 4.87
    ethylbenzene 0.97
    MIBK 4.15
    2-propoxyethanol 38.25
    tert-butanol 17.13
    MTBE 2.4
    2-butoxyethanol 19.05
    propionic acid 7.87
    o-xylene 1.31
    formic acid 185.32
    diethyl ether 1.82
    m-xylene 1.29
    p-xylene 1.22
    chlorobenzene 1.42
    dimethyl carbonate 4.52
    n-octane 0.15
    formamide 129.61
    cyclopentanone 17.52
    2-pentanone 4.31
    anisole 3.88
    cyclopentyl methyl ether 4.38
    gamma-butyrolactone 27.28
    1-methoxy-2-propanol 51.86
    pyridine 6.87
    3-pentanone 2.14
    furfural 54.64
    n-dodecane 0.16
    diethylene glycol 71.84
    diisopropyl ether 0.61
    tert-amyl alcohol 11.08
    acetylacetone 8.44
    n-hexadecane 0.18
    acetophenone 5.95
    methyl propionate 3.68
    isopentyl acetate 3.83
    trichloroethylene 9.14
    n-nonanol 4.01
    cyclohexanol 4.92
    benzyl alcohol 8.91
    2-ethylhexanol 3.29
    isooctanol 3.88
    dipropyl ether 1.68
    1,2-dichlorobenzene 2.58
    ethyl lactate 7.16
    propylene carbonate 12.46
    n-methylformamide 89.08
    2-pentanol 4.32
    n-pentane 0.13
    1-propoxy-2-propanol 16.75
    1-methoxy-2-propyl acetate 7.1
    2-(2-methoxypropoxy) propanol 15.97
    mesitylene 1.02
    ε-caprolactone 11.12
    p-cymene 1.22
    epichlorohydrin 35.67
    1,1,1-trichloroethane 2.58
    2-aminoethanol 68.42
    morpholine-4-carbaldehyde 79.0
    sulfolane 59.91
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 8.26
    n-hexyl acetate 3.97
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 19.84
    sec-butyl acetate 1.36
    tert-butyl acetate 3.05
    decalin 0.17
    glycerin 97.99
    diglyme 36.38
    acrylic acid 10.8
    isopropyl myristate 1.79
    n-butyric acid 10.34
    acetyl acetate 2.5
    di(2-ethylhexyl) phthalate 4.26
    ethyl propionate 2.38
    nitromethane 40.11
    1,2-diethoxyethane 4.05
    benzonitrile 7.24
    trioctyl phosphate 3.46
    1-bromopropane 2.26
    gamma-valerolactone 48.23
    n-decanol 2.95
    triethyl phosphate 4.2
    4-methyl-2-pentanol 3.5
    propionitrile 5.14
    vinylene carbonate 13.58
    1,1,2-trichlorotrifluoroethane 44.91
    DMS 3.27
    cumene 1.02
    2-octanol 2.91
    2-hexanone 2.93
    octyl acetate 2.69
    limonene 1.26
    1,2-dimethoxyethane 54.96
    ethyl orthosilicate 3.68
    tributyl phosphate 3.36
    diacetone alcohol 13.5
    N,N-dimethylaniline 4.73
    acrylonitrile 11.18
    aniline 3.0
    1,3-propanediol 68.03
    bromobenzene 1.23
    dibromomethane 5.15
    1,1,2,2-tetrachloroethane 7.73
    2-methyl-cyclohexyl acetate 3.65
    tetrabutyl urea 5.91
    diisobutyl methanol 2.32
    2-phenylethanol 7.49
    styrene 0.79
    dioctyl adipate 3.19
    dimethyl sulfate 20.21
    ethyl butyrate 3.0
    methyl lactate 14.33
    butyl lactate 6.2
    diethyl carbonate 2.6
    propanediol butyl ether 17.62
    triethyl orthoformate 3.5
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 8.89
    morpholine 20.93
    tert-butylamine 4.68
    n-dodecanol 2.13
    dimethoxymethane 37.5
    ethylene carbonate 9.28
    cyrene 24.64
    2-ethoxyethyl acetate 4.26
    2-ethylhexyl acetate 2.62
    1,2,4-trichlorobenzene 2.81
    4-methylpyridine 8.22
    dibutyl ether 1.63
    2,6-dimethyl-4-heptanol 2.32
    DEF 14.58
    dimethyl isosorbide 24.38
    tetrachloroethylene 5.97
    eugenol 13.11
    triacetin 4.33
    span 80 10.07
    1,4-butanediol 31.59
    1,1-dichloroethane 3.01
    2-methyl-1-pentanol 6.96
    methyl formate 63.98
    2-methyl-1-butanol 8.57
    n-decane 0.25
    butyronitrile 7.12
    3,7-dimethyl-1-octanol 3.77
    1-chlorooctane 1.05
    1-chlorotetradecane 0.49
    n-nonane 0.23
    undecane 0.2
    tert-butylcyclohexane 0.18
    cyclooctane 0.08
    cyclopentanol 9.57
    tetrahydropyran 3.46
    tert-amyl methyl ether 2.85
    2,5,8-trioxanonane 28.82
    1-hexene 0.64
    2-isopropoxyethanol 19.61
    2,2,2-trifluoroethanol 23.33
    methyl butyrate 4.85

    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