5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine

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  • Identifiers

    CAS number
    80933-77-3

    Molecular formula
    C10H13NO

    SMILES
    CC1=C2CCCN2C(=C1)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 38.05%
    Sweet 35.38%
    Nutty 34.82%
    Popcorn 31.28%
    Powdery 31.07%
    Earthy 29.46%
    Floral 29.45%
    Musk 28.52%
    Animal 28.14%
    Burnt 27.79%

     

    Flavor
    Bitter 55.46%
    Roasted 31.24%
    Nutty 25.04%
    Roast 24.53%
    Corn 24.4%
    Popcorn 23.3%
    Odorless 23.04%
    Bread crust 22.65%
    Taco 22.6%
    Soybean 21.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 112.3 ˚C est.

  • Synonyms

    • 80933-77-3
    • 5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
    • 1-(7-methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one
    • 47EDK5XJ3A
    • 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
    • 1-(2,3-Dihydro-7-methyl-1H-pyrrolizin-5-yl)ethanone
    • 1-(7-Methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethanone
    • 5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine
    • Ethanone, 1-(2,3-dihydro-7-methyl-1H-pyrrolizin-5-yl)-
    • UNII-47EDK5XJ3A
    • CHEBI:173432
    • GEURXEPGCAPDNA-UHFFFAOYSA-N
    • DTXSID601225362
    • 80933-77-3

  • Applications

    5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine (CAS 80933-77-3) is primarily used in synthetic organic chemistry as a building block for the preparation of heterocyclic compounds. In pharmaceutical R&D it is typically employed as an intermediate to construct drug-like scaffolds and related pharmacophores; in agrochemical development it is evaluated as a precursor for active ingredients in crop protection. In fragrance and cosmetic chemistry it may be considered as a fragrance precursor or odor-active fragment. In polymer and coatings science it can function as a functionalized scaffold for specialty polymers or as a precursor for crosslinkable systems. In academic and process chemistry it serves as a scaffold for medicinal chemistry exploration and for developing new synthetic methodologies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.86
    methanol 599.44
    isopropanol 200.6
    water 41.87
    ethyl acetate 194.85
    n-propanol 256.82
    acetone 325.04
    n-butanol 225.68
    acetonitrile 313.92
    DMF 594.84
    toluene 161.1
    isobutanol 201.82
    1,4-dioxane 503.45
    methyl acetate 238.89
    THF 515.43
    2-butanone 246.78
    n-pentanol 159.32
    sec-butanol 178.61
    n-hexane 13.6
    ethylene glycol 243.89
    NMP 390.48
    cyclohexane 17.48
    DMSO 470.19
    n-butyl acetate 133.02
    n-octanol 109.6
    chloroform 1233.69
    n-propyl acetate 121.68
    acetic acid 230.88
    dichloromethane 1246.56
    cyclohexanone 318.93
    propylene glycol 170.2
    isopropyl acetate 130.92
    DMAc 384.87
    2-ethoxyethanol 345.72
    isopentanol 181.41
    n-heptane 11.27
    ethyl formate 230.78
    1,2-dichloroethane 557.51
    n-hexanol 154.97
    2-methoxyethanol 625.72
    isobutyl acetate 99.89
    tetrachloromethane 191.75
    n-pentyl acetate 127.88
    transcutol 469.4
    n-heptanol 101.71
    ethylbenzene 95.16
    MIBK 143.37
    2-propoxyethanol 366.4
    tert-butanol 190.49
    MTBE 159.2
    2-butoxyethanol 219.31
    propionic acid 188.81
    o-xylene 113.7
    formic acid 246.5
    diethyl ether 169.54
    m-xylene 129.07
    p-xylene 121.75
    chlorobenzene 303.72
    dimethyl carbonate 151.1
    n-octane 10.04
    formamide 296.62
    cyclopentanone 427.49
    2-pentanone 205.56
    anisole 225.89
    cyclopentyl methyl ether 223.03
    gamma-butyrolactone 505.57
    1-methoxy-2-propanol 364.57
    pyridine 397.37
    3-pentanone 163.84
    furfural 597.29
    n-dodecane 11.34
    diethylene glycol 402.2
    diisopropyl ether 57.1
    tert-amyl alcohol 153.18
    acetylacetone 268.96
    n-hexadecane 13.03
    acetophenone 190.62
    methyl propionate 196.34
    isopentyl acetate 136.15
    trichloroethylene 988.14
    n-nonanol 90.9
    cyclohexanol 156.69
    benzyl alcohol 200.22
    2-ethylhexanol 90.22
    isooctanol 85.53
    dipropyl ether 78.5
    1,2-dichlorobenzene 293.77
    ethyl lactate 115.41
    propylene carbonate 283.54
    n-methylformamide 405.72
    2-pentanol 126.95
    n-pentane 14.61
    1-propoxy-2-propanol 181.96
    1-methoxy-2-propyl acetate 174.18
    2-(2-methoxypropoxy) propanol 163.27
    mesitylene 84.61
    ε-caprolactone 291.52
    p-cymene 62.27
    epichlorohydrin 736.09
    1,1,1-trichloroethane 436.84
    2-aminoethanol 295.44
    morpholine-4-carbaldehyde 524.99
    sulfolane 494.47
    2,2,4-trimethylpentane 13.46
    2-methyltetrahydrofuran 313.87
    n-hexyl acetate 179.79
    isooctane 12.24
    2-(2-butoxyethoxy)ethanol 220.61
    sec-butyl acetate 91.73
    tert-butyl acetate 142.62
    decalin 21.74
    glycerin 299.1
    diglyme 415.38
    acrylic acid 217.87
    isopropyl myristate 70.1
    n-butyric acid 220.57
    acetyl acetate 156.42
    di(2-ethylhexyl) phthalate 88.83
    ethyl propionate 124.55
    nitromethane 447.54
    1,2-diethoxyethane 166.67
    benzonitrile 301.59
    trioctyl phosphate 61.99
    1-bromopropane 241.76
    gamma-valerolactone 576.55
    n-decanol 68.31
    triethyl phosphate 74.94
    4-methyl-2-pentanol 89.15
    propionitrile 255.07
    vinylene carbonate 313.24
    1,1,2-trichlorotrifluoroethane 436.03
    DMS 178.25
    cumene 76.52
    2-octanol 77.49
    2-hexanone 134.44
    octyl acetate 90.1
    limonene 74.58
    1,2-dimethoxyethane 418.18
    ethyl orthosilicate 70.88
    tributyl phosphate 70.97
    diacetone alcohol 180.72
    N,N-dimethylaniline 145.44
    acrylonitrile 389.28
    aniline 207.86
    1,3-propanediol 333.66
    bromobenzene 322.79
    dibromomethane 684.16
    1,1,2,2-tetrachloroethane 653.84
    2-methyl-cyclohexyl acetate 102.01
    tetrabutyl urea 89.72
    diisobutyl methanol 56.15
    2-phenylethanol 178.68
    styrene 114.78
    dioctyl adipate 96.42
    dimethyl sulfate 247.89
    ethyl butyrate 103.26
    methyl lactate 157.34
    butyl lactate 111.43
    diethyl carbonate 85.48
    propanediol butyl ether 191.26
    triethyl orthoformate 80.54
    p-tert-butyltoluene 59.51
    methyl 4-tert-butylbenzoate 165.23
    morpholine 431.55
    tert-butylamine 119.46
    n-dodecanol 53.05
    dimethoxymethane 449.01
    ethylene carbonate 242.48
    cyrene 178.58
    2-ethoxyethyl acetate 182.78
    2-ethylhexyl acetate 109.03
    1,2,4-trichlorobenzene 327.61
    4-methylpyridine 368.06
    dibutyl ether 87.25
    2,6-dimethyl-4-heptanol 56.15
    DEF 233.22
    dimethyl isosorbide 256.5
    tetrachloroethylene 481.58
    eugenol 204.02
    triacetin 144.68
    span 80 131.89
    1,4-butanediol 178.63
    1,1-dichloroethane 464.59
    2-methyl-1-pentanol 143.21
    methyl formate 380.06
    2-methyl-1-butanol 186.56
    n-decane 17.27
    butyronitrile 246.28
    3,7-dimethyl-1-octanol 89.99
    1-chlorooctane 74.89
    1-chlorotetradecane 33.83
    n-nonane 15.59
    undecane 13.71
    tert-butylcyclohexane 22.32
    cyclooctane 9.19
    cyclopentanol 199.85
    tetrahydropyran 267.57
    tert-amyl methyl ether 124.95
    2,5,8-trioxanonane 269.05
    1-hexene 56.64
    2-isopropoxyethanol 205.48
    2,2,2-trifluoroethanol 192.61
    methyl butyrate 165.5

    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