6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde

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  • Identifiers

    CAS number
    55041-87-7

    Molecular formula
    C9H11NO

    SMILES
    CC1=C(N2CCCC2=C1)C=O

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  • Odor profile

    Fragrance
    Roasted 46.17%
    Nutty 34.67%
    Popcorn 33.58%
    Burnt 32.19%
    Odorless 28.81%
    Earthy 24.58%
    Animal 23.91%
    Musty 23.31%
    Meaty 20.62%
    Hazelnut 20.53%

     

    Flavor
    Bitter 70.7%
    Roasted 25.8%
    Odorless 22.74%
    Bread crust 21.94%
    Taco 21.85%
    Cereal 21.49%
    Very strong 21.49%
    Indole 21.15%
    Nitrile 21.05%
    Roasted peanuts 20.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.64 (neutral)

    Molecular weight
    149.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    255°C

    Flash point

    • 107.11 ˚C est.

  • Synonyms

    • 55041-87-7
    • 6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde
    • 5-Formyl-6-methyl-2,3-dihydro-1H-pyrrolizine
    • 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
    • 2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde
    • 1H-Pyrrolizine-5-carboxaldehyde, 2,3-dihydro-6-methyl- (9CI)
    • 6D6PHF2WNV
    • SCHEMBL9845979
    • DTXSID70423904
    • CHEBI:173399
    • NWFQKPJYEJRQRI-UHFFFAOYSA-N
    • DB-242811
    • 5-Formyl-2,3-dihydro-6-methyl-1H-pyrrolizine
    • 5-formyl-6-methyl-2,3-dihydro-(1H)-pyrrolizine
    • 1H-Pyrrolizine-5-carboxaldehyde, 2,3-dihydro-6-methyl-
    • 1H-Pyrrolizine-5-carboxaldehyde,2,3-dihydro-6-methyl-(9ci)
    • 55041-87-7

  • Applications

    6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde (CAS 55041-87-7) is typically used as an organic synthesis intermediate, serving as a building block in pharmaceutical and agrochemical development, and as a scaffold for the design of new heterocyclic derivatives; the aldehyde functionality enables formation of further linkages and reactions, making it suitable for fragrance and odorant precursor applications, as well as for crosslinking or imine-forming chemistry in coatings, adhesives, and specialty polymers; in research and development, it is often evaluated as a versatile multi-functional building block for innovative compounds and materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 271.13
    methanol 448.06
    isopropanol 151.79
    water 62.6
    ethyl acetate 160.99
    n-propanol 215.02
    acetone 256.46
    n-butanol 158.9
    acetonitrile 345.15
    DMF 363.57
    toluene 110.88
    isobutanol 139.71
    1,4-dioxane 524.82
    methyl acetate 182.97
    THF 455.42
    2-butanone 172.03
    n-pentanol 113.15
    sec-butanol 116.27
    n-hexane 9.35
    ethylene glycol 189.46
    NMP 292.45
    cyclohexane 13.85
    DMSO 426.83
    n-butyl acetate 99.96
    n-octanol 64.53
    chloroform 957.17
    n-propyl acetate 91.46
    acetic acid 255.04
    dichloromethane 1084.02
    cyclohexanone 281.06
    propylene glycol 106.46
    isopropyl acetate 91.64
    DMAc 171.97
    2-ethoxyethanol 249.41
    isopentanol 118.17
    n-heptane 8.89
    ethyl formate 175.68
    1,2-dichloroethane 522.0
    n-hexanol 115.57
    2-methoxyethanol 410.74
    isobutyl acetate 67.62
    tetrachloromethane 152.92
    n-pentyl acetate 81.93
    transcutol 419.6
    n-heptanol 66.52
    ethylbenzene 52.37
    MIBK 103.35
    2-propoxyethanol 265.76
    tert-butanol 131.8
    MTBE 91.29
    2-butoxyethanol 147.89
    propionic acid 174.3
    o-xylene 67.31
    formic acid 269.51
    diethyl ether 135.91
    m-xylene 84.75
    p-xylene 70.59
    chlorobenzene 247.39
    dimethyl carbonate 96.73
    n-octane 6.55
    formamide 337.21
    cyclopentanone 366.28
    2-pentanone 151.07
    anisole 134.24
    cyclopentyl methyl ether 182.63
    gamma-butyrolactone 489.58
    1-methoxy-2-propanol 231.43
    pyridine 354.63
    3-pentanone 113.36
    furfural 453.0
    n-dodecane 7.29
    diethylene glycol 280.66
    diisopropyl ether 36.54
    tert-amyl alcohol 96.84
    acetylacetone 191.9
    n-hexadecane 8.26
    acetophenone 115.94
    methyl propionate 144.06
    isopentyl acetate 95.47
    trichloroethylene 874.53
    n-nonanol 55.5
    cyclohexanol 120.14
    benzyl alcohol 125.02
    2-ethylhexanol 63.75
    isooctanol 56.24
    dipropyl ether 59.59
    1,2-dichlorobenzene 221.83
    ethyl lactate 74.47
    propylene carbonate 223.2
    n-methylformamide 336.75
    2-pentanol 87.18
    n-pentane 11.1
    1-propoxy-2-propanol 130.82
    1-methoxy-2-propyl acetate 116.93
    2-(2-methoxypropoxy) propanol 111.79
    mesitylene 55.66
    ε-caprolactone 226.17
    p-cymene 41.23
    epichlorohydrin 615.47
    1,1,1-trichloroethane 357.43
    2-aminoethanol 219.71
    morpholine-4-carbaldehyde 359.69
    sulfolane 474.46
    2,2,4-trimethylpentane 8.92
    2-methyltetrahydrofuran 271.56
    n-hexyl acetate 112.31
    isooctane 9.0
    2-(2-butoxyethoxy)ethanol 159.74
    sec-butyl acetate 60.39
    tert-butyl acetate 94.35
    decalin 13.19
    glycerin 187.72
    diglyme 296.62
    acrylic acid 205.84
    isopropyl myristate 47.25
    n-butyric acid 186.73
    acetyl acetate 112.54
    di(2-ethylhexyl) phthalate 57.46
    ethyl propionate 85.68
    nitromethane 474.67
    1,2-diethoxyethane 119.58
    benzonitrile 198.13
    trioctyl phosphate 42.66
    1-bromopropane 212.4
    gamma-valerolactone 461.61
    n-decanol 43.44
    triethyl phosphate 52.79
    4-methyl-2-pentanol 60.48
    propionitrile 229.35
    vinylene carbonate 242.08
    1,1,2-trichlorotrifluoroethane 301.22
    DMS 113.63
    cumene 44.86
    2-octanol 48.04
    2-hexanone 97.14
    octyl acetate 60.43
    limonene 49.22
    1,2-dimethoxyethane 298.78
    ethyl orthosilicate 50.11
    tributyl phosphate 49.22
    diacetone alcohol 125.42
    N,N-dimethylaniline 81.89
    acrylonitrile 345.28
    aniline 155.24
    1,3-propanediol 236.34
    bromobenzene 259.89
    dibromomethane 608.1
    1,1,2,2-tetrachloroethane 508.86
    2-methyl-cyclohexyl acetate 76.99
    tetrabutyl urea 62.08
    diisobutyl methanol 41.49
    2-phenylethanol 126.88
    styrene 66.51
    dioctyl adipate 63.92
    dimethyl sulfate 155.25
    ethyl butyrate 76.42
    methyl lactate 99.14
    butyl lactate 73.21
    diethyl carbonate 62.39
    propanediol butyl ether 115.7
    triethyl orthoformate 57.52
    p-tert-butyltoluene 39.22
    methyl 4-tert-butylbenzoate 109.83
    morpholine 426.18
    tert-butylamine 81.83
    n-dodecanol 34.73
    dimethoxymethane 298.21
    ethylene carbonate 196.06
    cyrene 129.38
    2-ethoxyethyl acetate 121.56
    2-ethylhexyl acetate 73.98
    1,2,4-trichlorobenzene 235.24
    4-methylpyridine 254.13
    dibutyl ether 53.64
    2,6-dimethyl-4-heptanol 41.49
    DEF 141.91
    dimethyl isosorbide 190.52
    tetrachloroethylene 400.77
    eugenol 130.75
    triacetin 97.79
    span 80 93.38
    1,4-butanediol 126.73
    1,1-dichloroethane 414.43
    2-methyl-1-pentanol 92.19
    methyl formate 305.39
    2-methyl-1-butanol 112.89
    n-decane 10.47
    butyronitrile 195.15
    3,7-dimethyl-1-octanol 56.19
    1-chlorooctane 46.46
    1-chlorotetradecane 21.38
    n-nonane 9.39
    undecane 8.59
    tert-butylcyclohexane 14.02
    cyclooctane 6.82
    cyclopentanol 162.74
    tetrahydropyran 256.91
    tert-amyl methyl ether 66.93
    2,5,8-trioxanonane 190.41
    1-hexene 37.57
    2-isopropoxyethanol 139.61
    2,2,2-trifluoroethanol 168.17
    methyl butyrate 114.04

    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