5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine

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  • Identifiers

    CAS number
    97073-09-1

    Molecular formula
    C10H13NO2

    SMILES
    C1CC2=CC=C(N2C1)C(=O)CCO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.88%
    Roasted 33.02%
    Nutty 29.43%
    Popcorn 28.74%
    Savory 24.31%
    Sweet 22.0%
    Animal 20.74%
    Cooked 20.67%
    Burnt 20.51%
    Caramellic 20.01%

     

    Flavor
    Bitter 66.67%
    Odorless 42.41%
    Mild 23.98%
    Very mild 23.81%
    Bland 23.67%
    Sweet-like 22.51%
    Taco 20.96%
    Bread crust 20.95%
    Orange flower 20.13%
    Roasted peanuts 19.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.91 (neutral)

    Molecular weight
    179.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 159.5 ˚C est.

  • Synonyms

    • 5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine
    • 2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine
    • 1-(2,3-dihydro-1H-pyrrolizin-5-yl)-3-hydroxypropan-1-one
    • 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-3-hydroxy-1-propanone
    • CHEBI:173504
    • DLLQYHQNPSDCSK-UHFFFAOYSA-N
    • 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one
    • DTXSID501201153
    • 97073-09-1
    • 97073-09-1

  • Applications

    5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine (CAS 97073-09-1) is typically used as an intermediate in pharmaceutical synthesis and as a versatile building block for the preparation of heterocyclic compounds; in medicinal chemistry it serves as a scaffold for structure–activity relationship (SAR) exploration and for generating libraries of analogs. It also functions as a synthetic precursor in general chemical manufacturing for specialty compounds, supporting process development and diversification of pyrrolizine-based motifs in research and development settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.6
    methanol 291.11
    isopropanol 69.4
    water 45.11
    ethyl acetate 48.42
    n-propanol 83.66
    acetone 127.5
    n-butanol 72.23
    acetonitrile 113.4
    DMF 468.03
    toluene 21.0
    isobutanol 66.96
    1,4-dioxane 138.99
    methyl acetate 61.6
    THF 165.92
    2-butanone 72.23
    n-pentanol 53.3
    sec-butanol 50.71
    n-hexane 0.57
    ethylene glycol 225.03
    NMP 268.66
    cyclohexane 1.78
    DMSO 721.03
    n-butyl acetate 41.34
    n-octanol 25.95
    chloroform 306.74
    n-propyl acetate 38.91
    acetic acid 197.13
    dichloromethane 419.45
    cyclohexanone 144.45
    propylene glycol 127.98
    isopropyl acetate 31.54
    DMAc 260.56
    2-ethoxyethanol 156.66
    isopentanol 66.36
    n-heptane 0.99
    ethyl formate 99.31
    1,2-dichloroethane 174.97
    n-hexanol 41.66
    2-methoxyethanol 289.94
    isobutyl acetate 30.92
    tetrachloromethane 30.94
    n-pentyl acetate 31.46
    transcutol 284.19
    n-heptanol 25.64
    ethylbenzene 15.93
    MIBK 42.96
    2-propoxyethanol 112.73
    tert-butanol 72.84
    MTBE 22.19
    2-butoxyethanol 73.12
    propionic acid 108.17
    o-xylene 21.86
    formic acid 308.04
    diethyl ether 17.45
    m-xylene 23.93
    p-xylene 22.24
    chlorobenzene 68.47
    dimethyl carbonate 49.3
    n-octane 0.75
    formamide 371.11
    cyclopentanone 199.6
    2-pentanone 54.76
    anisole 54.76
    cyclopentyl methyl ether 50.78
    gamma-butyrolactone 266.33
    1-methoxy-2-propanol 151.87
    pyridine 138.31
    3-pentanone 34.15
    furfural 351.16
    n-dodecane 1.18
    diethylene glycol 186.72
    diisopropyl ether 6.69
    tert-amyl alcohol 48.11
    acetylacetone 95.72
    n-hexadecane 1.38
    acetophenone 70.3
    methyl propionate 54.19
    isopentyl acetate 42.53
    trichloroethylene 386.21
    n-nonanol 22.53
    cyclohexanol 54.59
    benzyl alcohol 83.61
    2-ethylhexanol 26.1
    isooctanol 23.29
    dipropyl ether 14.08
    1,2-dichlorobenzene 79.7
    ethyl lactate 49.37
    propylene carbonate 146.51
    n-methylformamide 290.96
    2-pentanol 29.66
    n-pentane 0.66
    1-propoxy-2-propanol 65.86
    1-methoxy-2-propyl acetate 55.24
    2-(2-methoxypropoxy) propanol 71.39
    mesitylene 14.96
    ε-caprolactone 112.35
    p-cymene 14.52
    epichlorohydrin 302.58
    1,1,1-trichloroethane 96.64
    2-aminoethanol 202.36
    morpholine-4-carbaldehyde 250.64
    sulfolane 359.24
    2,2,4-trimethylpentane 1.45
    2-methyltetrahydrofuran 84.27
    n-hexyl acetate 44.95
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 96.4
    sec-butyl acetate 25.99
    tert-butyl acetate 36.18
    decalin 2.51
    glycerin 262.51
    diglyme 173.61
    acrylic acid 150.29
    isopropyl myristate 17.18
    n-butyric acid 111.63
    acetyl acetate 49.44
    di(2-ethylhexyl) phthalate 32.2
    ethyl propionate 33.9
    nitromethane 338.55
    1,2-diethoxyethane 44.11
    benzonitrile 104.05
    trioctyl phosphate 21.6
    1-bromopropane 42.17
    gamma-valerolactone 270.44
    n-decanol 17.17
    triethyl phosphate 27.92
    4-methyl-2-pentanol 24.56
    propionitrile 71.86
    vinylene carbonate 156.8
    1,1,2-trichlorotrifluoroethane 256.55
    DMS 53.21
    cumene 15.19
    2-octanol 17.16
    2-hexanone 38.05
    octyl acetate 24.05
    limonene 17.15
    1,2-dimethoxyethane 160.94
    ethyl orthosilicate 24.42
    tributyl phosphate 25.66
    diacetone alcohol 71.66
    N,N-dimethylaniline 41.09
    acrylonitrile 152.72
    aniline 61.08
    1,3-propanediol 178.68
    bromobenzene 65.19
    dibromomethane 164.53
    1,1,2,2-tetrachloroethane 249.64
    2-methyl-cyclohexyl acetate 38.77
    tetrabutyl urea 36.97
    diisobutyl methanol 16.19
    2-phenylethanol 60.73
    styrene 19.18
    dioctyl adipate 31.41
    dimethyl sulfate 120.03
    ethyl butyrate 33.69
    methyl lactate 76.77
    butyl lactate 46.5
    diethyl carbonate 31.71
    propanediol butyl ether 84.59
    triethyl orthoformate 27.41
    p-tert-butyltoluene 12.64
    methyl 4-tert-butylbenzoate 58.16
    morpholine 144.44
    tert-butylamine 27.13
    n-dodecanol 13.37
    dimethoxymethane 130.37
    ethylene carbonate 116.22
    cyrene 98.59
    2-ethoxyethyl acetate 52.79
    2-ethylhexyl acetate 30.87
    1,2,4-trichlorobenzene 94.1
    4-methylpyridine 108.65
    dibutyl ether 14.61
    2,6-dimethyl-4-heptanol 16.19
    DEF 77.1
    dimethyl isosorbide 108.25
    tetrachloroethylene 161.8
    eugenol 72.98
    triacetin 55.64
    span 80 55.65
    1,4-butanediol 101.02
    1,1-dichloroethane 114.91
    2-methyl-1-pentanol 49.84
    methyl formate 240.36
    2-methyl-1-butanol 57.65
    n-decane 1.62
    butyronitrile 77.32
    3,7-dimethyl-1-octanol 25.91
    1-chlorooctane 10.86
    1-chlorotetradecane 5.0
    n-nonane 1.28
    undecane 1.37
    tert-butylcyclohexane 2.25
    cyclooctane 0.85
    cyclopentanol 81.0
    tetrahydropyran 57.2
    tert-amyl methyl ether 19.62
    2,5,8-trioxanonane 121.23
    1-hexene 4.36
    2-isopropoxyethanol 80.85
    2,2,2-trifluoroethanol 134.3
    methyl butyrate 55.52

    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