1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone

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  • Identifiers

    CAS number
    97073-12-6

    Molecular formula
    C12H17NO2

    SMILES
    CC1=C2CCCN2C(=C1C)C(=O)C(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.13%
    Odorless 35.47%
    Musk 35.01%
    Powdery 29.5%
    Dry 25.84%
    Fatty 25.8%
    Milky 24.72%
    Creamy 24.4%
    Vanilla 23.26%
    Burnt 22.24%

     

    Flavor
    Bitter 78.45%
    Odorless 38.13%
    Bland 28.26%
    Sweet-like 22.56%
    Very mild 19.82%
    Cedarleaf 19.49%
    Parsley 19.3%
    Bread crust 19.3%
    Nitrile 19.04%
    Taco 19.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.22 (weak base)

    Molecular weight
    207.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 155.07 ˚C est.

  • Synonyms

    • 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone
    • 97073-12-6
    • RefChem:222788
    • CHEBI:193998
    • ZCNNVEPQSPOCJM-UHFFFAOYSA-N
    • DTXSID301155598
    • 2,3-Dihydro-6,7-dimethyl-5-(2-hydroxypropionyl)-1H-pyrrolizine
    • 5-(2-Hydroxypropionyl)-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine
    • 1-(6,7-Dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)-2-hydroxypropan-1-one
    • 1-(1,2-DIMETHYL-6,7-DIHYDRO-5H-PYRROLIZIN-3-YL)-2-HYDROXYPROPAN-1-ONE
    • 97073-12-6

  • Applications

    Chemical: 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone (CAS 97073-12-6) is primarily used as an organic synthesis intermediate in medicinal chemistry and agrochemical R&D, serving as a building block to access heterocyclic motifs based on the pyrrolizin framework; it may function as a chiral or functionalized precursor in the preparation of specialty polymers or materials, and it may be evaluated in fragrance chemistry as a fragrance ingredient or odorant fragment. Additionally, it is used in research and process development as an analytical reference or starting point for functionalized compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.32
    methanol 274.87
    isopropanol 155.69
    water 26.2
    ethyl acetate 86.76
    n-propanol 156.44
    acetone 184.47
    n-butanol 142.98
    acetonitrile 134.56
    DMF 405.09
    toluene 95.08
    isobutanol 130.47
    1,4-dioxane 276.79
    methyl acetate 114.23
    THF 315.28
    2-butanone 133.34
    n-pentanol 108.28
    sec-butanol 117.5
    n-hexane 2.98
    ethylene glycol 135.12
    NMP 233.99
    cyclohexane 9.48
    DMSO 243.77
    n-butyl acetate 75.9
    n-octanol 65.65
    chloroform 650.88
    n-propyl acetate 69.71
    acetic acid 136.99
    dichloromethane 684.45
    cyclohexanone 229.44
    propylene glycol 96.44
    isopropyl acetate 63.61
    DMAc 219.7
    2-ethoxyethanol 188.17
    isopentanol 110.31
    n-heptane 4.04
    ethyl formate 157.95
    1,2-dichloroethane 281.02
    n-hexanol 104.19
    2-methoxyethanol 322.84
    isobutyl acetate 57.78
    tetrachloromethane 104.4
    n-pentyl acetate 80.92
    transcutol 146.8
    n-heptanol 72.58
    ethylbenzene 53.67
    MIBK 73.49
    2-propoxyethanol 187.63
    tert-butanol 135.27
    MTBE 62.9
    2-butoxyethanol 130.17
    propionic acid 111.55
    o-xylene 68.77
    formic acid 128.27
    diethyl ether 61.07
    m-xylene 73.65
    p-xylene 81.51
    chlorobenzene 171.27
    dimethyl carbonate 72.93
    n-octane 4.19
    formamide 187.98
    cyclopentanone 290.32
    2-pentanone 96.53
    anisole 97.31
    cyclopentyl methyl ether 97.06
    gamma-butyrolactone 323.85
    1-methoxy-2-propanol 188.27
    pyridine 250.77
    3-pentanone 72.34
    furfural 359.65
    n-dodecane 5.31
    diethylene glycol 214.64
    diisopropyl ether 19.48
    tert-amyl alcohol 98.43
    acetylacetone 130.32
    n-hexadecane 6.18
    acetophenone 112.07
    methyl propionate 92.01
    isopentyl acetate 79.46
    trichloroethylene 523.3
    n-nonanol 56.4
    cyclohexanol 123.68
    benzyl alcohol 141.48
    2-ethylhexanol 55.46
    isooctanol 59.86
    dipropyl ether 31.9
    1,2-dichlorobenzene 160.24
    ethyl lactate 65.69
    propylene carbonate 203.18
    n-methylformamide 233.92
    2-pentanol 75.1
    n-pentane 4.07
    1-propoxy-2-propanol 104.77
    1-methoxy-2-propyl acetate 89.01
    2-(2-methoxypropoxy) propanol 82.05
    mesitylene 44.51
    ε-caprolactone 181.48
    p-cymene 42.62
    epichlorohydrin 385.21
    1,1,1-trichloroethane 216.67
    2-aminoethanol 158.31
    morpholine-4-carbaldehyde 286.71
    sulfolane 313.47
    2,2,4-trimethylpentane 4.78
    2-methyltetrahydrofuran 161.65
    n-hexyl acetate 98.13
    isooctane 4.03
    2-(2-butoxyethoxy)ethanol 111.71
    sec-butyl acetate 48.05
    tert-butyl acetate 61.27
    decalin 8.37
    glycerin 161.48
    diglyme 203.53
    acrylic acid 131.05
    isopropyl myristate 40.77
    n-butyric acid 144.84
    acetyl acetate 75.38
    di(2-ethylhexyl) phthalate 57.99
    ethyl propionate 58.51
    nitromethane 228.99
    1,2-diethoxyethane 69.82
    benzonitrile 178.5
    trioctyl phosphate 43.06
    1-bromopropane 104.58
    gamma-valerolactone 344.68
    n-decanol 42.63
    triethyl phosphate 40.91
    4-methyl-2-pentanol 46.46
    propionitrile 126.11
    vinylene carbonate 232.84
    1,1,2-trichlorotrifluoroethane 245.39
    DMS 87.46
    cumene 41.92
    2-octanol 54.33
    2-hexanone 72.4
    octyl acetate 54.54
    limonene 46.02
    1,2-dimethoxyethane 234.28
    ethyl orthosilicate 37.95
    tributyl phosphate 44.29
    diacetone alcohol 93.98
    N,N-dimethylaniline 70.15
    acrylonitrile 195.89
    aniline 123.27
    1,3-propanediol 200.66
    bromobenzene 172.08
    dibromomethane 352.92
    1,1,2,2-tetrachloroethane 372.15
    2-methyl-cyclohexyl acetate 65.74
    tetrabutyl urea 59.58
    diisobutyl methanol 33.39
    2-phenylethanol 121.32
    styrene 57.68
    dioctyl adipate 54.56
    dimethyl sulfate 113.96
    ethyl butyrate 56.45
    methyl lactate 82.34
    butyl lactate 74.92
    diethyl carbonate 47.34
    propanediol butyl ether 103.58
    triethyl orthoformate 44.65
    p-tert-butyltoluene 38.28
    methyl 4-tert-butylbenzoate 101.92
    morpholine 228.25
    tert-butylamine 65.46
    n-dodecanol 33.36
    dimethoxymethane 216.51
    ethylene carbonate 186.8
    cyrene 119.78
    2-ethoxyethyl acetate 104.24
    2-ethylhexyl acetate 63.66
    1,2,4-trichlorobenzene 188.38
    4-methylpyridine 218.84
    dibutyl ether 35.89
    2,6-dimethyl-4-heptanol 33.39
    DEF 109.09
    dimethyl isosorbide 151.67
    tetrachloroethylene 287.49
    eugenol 118.32
    triacetin 86.22
    span 80 77.85
    1,4-butanediol 120.97
    1,1-dichloroethane 242.97
    2-methyl-1-pentanol 92.71
    methyl formate 238.68
    2-methyl-1-butanol 109.96
    n-decane 7.61
    butyronitrile 137.83
    3,7-dimethyl-1-octanol 49.57
    1-chlorooctane 37.29
    1-chlorotetradecane 17.57
    n-nonane 6.41
    undecane 6.28
    tert-butylcyclohexane 7.61
    cyclooctane 4.02
    cyclopentanol 158.18
    tetrahydropyran 149.81
    tert-amyl methyl ether 47.82
    2,5,8-trioxanonane 138.43
    1-hexene 17.34
    2-isopropoxyethanol 121.88
    2,2,2-trifluoroethanol 112.48
    methyl butyrate 90.23

    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