2,3-Dihydro-5,6-dimethyl-1H-pyrrolizine-7-carboxaldehyde

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  • Identifiers

    CAS number
    97073-05-7

    Molecular formula
    C10H13NO

    SMILES
    CC1=C(N2CCCC2=C1C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 37.3%
    Burnt 32.64%
    Sweet 30.76%
    Nutty 29.43%
    Earthy 28.1%
    Animal 27.2%
    Musty 26.93%
    Powdery 25.36%
    Odorless 25.34%
    Fatty 23.32%

     

    Flavor
    Bitter 72.58%
    Odorless 22.58%
    Very strong 21.25%
    Bread crust 21.03%
    Indole 20.92%
    Cereal 20.85%
    Taco 20.84%
    Soybean 20.65%
    Roasted 20.63%
    Nitrile 20.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.19 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 114.2 ˚C est.

  • Synonyms

    • 2,3-Dihydro-5,6-dimethyl-1H-pyrrolizine-7-carboxaldehyde
    • 97073-05-7
    • RefChem:244835
    • CHEBI:169353
    • MBJGXSSIUJRGNO-UHFFFAOYSA-N
    • DTXSID101202830
    • 7-Formyl-2,3-dihydro-5,6-dimethyl-1H-pyrrolizine
    • 7-Formyl-5,6-dimethyl-2,3-dihydro-1H-pyrrolizine
    • 2,3-dimethyl-6,7-dihydro-5H-pyrrolizine-1-carbaldehyde
    • 5,6-Dimethyl-2,3-dihydro-1H-pyrrolizine-7-carbaldehyde
    • 97073-05-7

  • Applications

    2,3-Dihydro-5,6-dimethyl-1H-pyrrolizine-7-carboxaldehyde (CAS 97073-05-7) is primarily used as an advanced building block in organic synthesis, serving as an intermediate for the preparation of heterocyclic compounds in medicinal chemistry programs and the development of agrochemicals. It is also considered a potential starting material for pharmaceutical and agrochemical lead compounds. Its aldehyde functionality may be explored in fragrance research and cosmetic formulation at laboratory scale. In polymer science, it can act as a functionalized heterocyclic scaffold for specialty materials, and in coatings and inks as a reactive precursor for formulation components. Use, dosages, and regulatory compliance depend on the application scope and local regulations, typically restricted to R&D or pilot-scale production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 207.25
    methanol 353.65
    isopropanol 124.53
    water 38.15
    ethyl acetate 147.16
    n-propanol 178.9
    acetone 205.53
    n-butanol 144.51
    acetonitrile 252.1
    DMF 328.77
    toluene 127.43
    isobutanol 117.8
    1,4-dioxane 449.69
    methyl acetate 154.48
    THF 479.55
    2-butanone 153.54
    n-pentanol 93.07
    sec-butanol 95.75
    n-hexane 10.52
    ethylene glycol 133.83
    NMP 250.87
    cyclohexane 16.79
    DMSO 346.99
    n-butyl acetate 96.86
    n-octanol 50.46
    chloroform 952.94
    n-propyl acetate 74.38
    acetic acid 166.87
    dichloromethane 1098.35
    cyclohexanone 266.86
    propylene glycol 77.25
    isopropyl acetate 86.47
    DMAc 167.69
    2-ethoxyethanol 203.15
    isopentanol 114.27
    n-heptane 8.6
    ethyl formate 152.07
    1,2-dichloroethane 547.4
    n-hexanol 106.76
    2-methoxyethanol 367.79
    isobutyl acetate 58.4
    tetrachloromethane 183.64
    n-pentyl acetate 79.01
    transcutol 282.38
    n-heptanol 59.34
    ethylbenzene 57.74
    MIBK 99.2
    2-propoxyethanol 246.37
    tert-butanol 123.05
    MTBE 91.95
    2-butoxyethanol 134.92
    propionic acid 133.1
    o-xylene 75.38
    formic acid 188.36
    diethyl ether 132.15
    m-xylene 96.18
    p-xylene 76.87
    chlorobenzene 247.14
    dimethyl carbonate 96.06
    n-octane 6.06
    formamide 267.73
    cyclopentanone 362.03
    2-pentanone 139.02
    anisole 135.64
    cyclopentyl methyl ether 181.88
    gamma-butyrolactone 442.91
    1-methoxy-2-propanol 206.3
    pyridine 347.47
    3-pentanone 109.97
    furfural 435.35
    n-dodecane 6.05
    diethylene glycol 247.18
    diisopropyl ether 39.03
    tert-amyl alcohol 92.04
    acetylacetone 171.13
    n-hexadecane 7.04
    acetophenone 113.13
    methyl propionate 133.25
    isopentyl acetate 96.17
    trichloroethylene 850.18
    n-nonanol 45.72
    cyclohexanol 117.04
    benzyl alcohol 118.59
    2-ethylhexanol 59.26
    isooctanol 50.13
    dipropyl ether 55.46
    1,2-dichlorobenzene 224.91
    ethyl lactate 63.94
    propylene carbonate 198.4
    n-methylformamide 292.55
    2-pentanol 79.16
    n-pentane 11.62
    1-propoxy-2-propanol 118.55
    1-methoxy-2-propyl acetate 117.63
    2-(2-methoxypropoxy) propanol 96.25
    mesitylene 62.99
    ε-caprolactone 207.18
    p-cymene 44.38
    epichlorohydrin 608.65
    1,1,1-trichloroethane 403.76
    2-aminoethanol 174.23
    morpholine-4-carbaldehyde 344.17
    sulfolane 439.33
    2,2,4-trimethylpentane 9.42
    2-methyltetrahydrofuran 247.47
    n-hexyl acetate 98.44
    isooctane 8.95
    2-(2-butoxyethoxy)ethanol 132.03
    sec-butyl acetate 55.19
    tert-butyl acetate 98.21
    decalin 15.07
    glycerin 153.72
    diglyme 253.37
    acrylic acid 155.81
    isopropyl myristate 44.99
    n-butyric acid 161.27
    acetyl acetate 101.18
    di(2-ethylhexyl) phthalate 57.46
    ethyl propionate 80.47
    nitromethane 353.5
    1,2-diethoxyethane 101.23
    benzonitrile 189.45
    trioctyl phosphate 41.27
    1-bromopropane 216.85
    gamma-valerolactone 446.8
    n-decanol 35.89
    triethyl phosphate 55.1
    4-methyl-2-pentanol 56.18
    propionitrile 195.81
    vinylene carbonate 222.11
    1,1,2-trichlorotrifluoroethane 295.15
    DMS 103.91
    cumene 48.11
    2-octanol 41.18
    2-hexanone 82.17
    octyl acetate 57.0
    limonene 52.4
    1,2-dimethoxyethane 265.31
    ethyl orthosilicate 52.81
    tributyl phosphate 47.3
    diacetone alcohol 116.78
    N,N-dimethylaniline 86.18
    acrylonitrile 304.04
    aniline 165.67
    1,3-propanediol 207.56
    bromobenzene 262.45
    dibromomethane 609.5
    1,1,2,2-tetrachloroethane 496.61
    2-methyl-cyclohexyl acetate 77.83
    tetrabutyl urea 59.07
    diisobutyl methanol 37.48
    2-phenylethanol 123.41
    styrene 71.47
    dioctyl adipate 62.79
    dimethyl sulfate 159.93
    ethyl butyrate 73.9
    methyl lactate 90.46
    butyl lactate 64.21
    diethyl carbonate 63.55
    propanediol butyl ether 84.39
    triethyl orthoformate 58.76
    p-tert-butyltoluene 43.41
    methyl 4-tert-butylbenzoate 109.57
    morpholine 381.08
    tert-butylamine 80.18
    n-dodecanol 28.32
    dimethoxymethane 297.71
    ethylene carbonate 177.7
    cyrene 116.91
    2-ethoxyethyl acetate 116.52
    2-ethylhexyl acetate 76.91
    1,2,4-trichlorobenzene 240.0
    4-methylpyridine 260.82
    dibutyl ether 45.19
    2,6-dimethyl-4-heptanol 37.48
    DEF 135.96
    dimethyl isosorbide 184.22
    tetrachloroethylene 399.78
    eugenol 125.2
    triacetin 83.49
    span 80 77.9
    1,4-butanediol 97.5
    1,1-dichloroethane 410.1
    2-methyl-1-pentanol 82.74
    methyl formate 248.74
    2-methyl-1-butanol 105.69
    n-decane 8.91
    butyronitrile 170.27
    3,7-dimethyl-1-octanol 48.3
    1-chlorooctane 40.41
    1-chlorotetradecane 19.07
    n-nonane 8.07
    undecane 7.16
    tert-butylcyclohexane 15.75
    cyclooctane 8.0
    cyclopentanol 147.37
    tetrahydropyran 246.63
    tert-amyl methyl ether 70.88
    2,5,8-trioxanonane 165.54
    1-hexene 37.7
    2-isopropoxyethanol 117.84
    2,2,2-trifluoroethanol 136.58
    methyl butyrate 99.17

    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