1,3-dimethyl-1H-pyrrole

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  • Identifiers

    CAS number
    10524-65-9

    Molecular formula
    C6H9N

    SMILES
    CC1=CN(C=C1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 57.5%
    Woody 50.42%
    Earthy 49.17%
    Animal 45.18%
    Sweet 44.27%
    Herbal 40.8%
    Nutty 40.02%
    Musty 37.77%
    Leathery 36.1%
    Tobacco 35.51%

     

    Flavor
    Woody 52.09%
    Leather 32.88%
    Nutty 31.43%
    Herbal 30.81%
    Medicinal 29.7%
    Phenolic 29.55%
    Tobacco 28.51%
    Musty 27.89%
    Earthy 27.32%
    Smoky 26.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.6 (weak acid)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 21.19 ˚C est.

  • Synonyms

    • 1,3-Dimethyl-1H-pyrrole
    • 10524-65-9
    • RefChem:414577
    • 818-545-5
    • 1,3-dimethylpyrrole
    • SCHEMBL11974
    • SCHEMBL192982
    • SCHEMBL434430
    • SCHEMBL710127
    • SCHEMBL1516121
    • SCHEMBL9595422
    • DB-421168
    • EN300-657341
    • H39770
    • 10524-65-9

  • Applications

    1,3-dimethyl-1H-pyrrole, CAS 10524-65-9, is a versatile organic synthesis intermediate used as a building block for pyrrole-containing heterocycles in pharmaceutical and agrochemical research. It also serves as a precursor for dye and pigment synthesis and related heterocyclic intermediates. The compound is commonly evaluated for fragrance and flavor formulation applications. Additionally, it can act as a building block for conducting polymer synthesis and other pyrrole-based electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2437.47
    methanol 2907.45
    isopropanol 1396.41
    water 236.74
    ethyl acetate 1100.02
    n-propanol 1582.09
    acetone 890.44
    n-butanol 1654.32
    acetonitrile 1014.56
    DMF 888.59
    toluene 528.25
    isobutanol 1089.96
    1,4-dioxane 1308.99
    methyl acetate 916.74
    THF 1455.37
    2-butanone 835.32
    n-pentanol 920.71
    sec-butanol 1225.69
    n-hexane 236.98
    ethylene glycol 804.91
    NMP 845.51
    cyclohexane 273.85
    DMSO 613.09
    n-butyl acetate 808.86
    n-octanol 388.18
    chloroform 2827.52
    n-propyl acetate 392.57
    acetic acid 2143.48
    dichloromethane 2201.59
    cyclohexanone 783.57
    propylene glycol 757.03
    isopropyl acetate 503.48
    DMAc 808.32
    2-ethoxyethanol 1107.59
    isopentanol 1100.55
    n-heptane 263.41
    ethyl formate 781.28
    1,2-dichloroethane 954.43
    n-hexanol 1276.17
    2-methoxyethanol 1901.98
    isobutyl acetate 252.83
    tetrachloromethane 934.05
    n-pentyl acetate 338.51
    transcutol 1508.93
    n-heptanol 483.69
    ethylbenzene 166.32
    MIBK 370.82
    2-propoxyethanol 1432.5
    tert-butanol 1204.46
    MTBE 945.85
    2-butoxyethanol 692.78
    propionic acid 1165.28
    o-xylene 293.04
    formic acid 1619.22
    diethyl ether 1205.08
    m-xylene 313.02
    p-xylene 215.84
    chlorobenzene 572.61
    dimethyl carbonate 283.75
    n-octane 73.76
    formamide 1185.93
    cyclopentanone 790.03
    2-pentanone 712.29
    anisole 374.26
    cyclopentyl methyl ether 848.66
    gamma-butyrolactone 892.05
    1-methoxy-2-propanol 1059.18
    pyridine 983.77
    3-pentanone 571.01
    furfural 864.09
    n-dodecane 46.47
    diethylene glycol 1061.64
    diisopropyl ether 332.18
    tert-amyl alcohol 1110.0
    acetylacetone 514.59
    n-hexadecane 48.24
    acetophenone 267.69
    methyl propionate 760.69
    isopentyl acetate 565.85
    trichloroethylene 1616.71
    n-nonanol 326.68
    cyclohexanol 927.89
    benzyl alcohol 401.2
    2-ethylhexanol 596.35
    isooctanol 328.24
    dipropyl ether 664.98
    1,2-dichlorobenzene 429.13
    ethyl lactate 207.57
    propylene carbonate 570.16
    n-methylformamide 884.12
    2-pentanol 981.55
    n-pentane 334.87
    1-propoxy-2-propanol 974.05
    1-methoxy-2-propyl acetate 533.7
    2-(2-methoxypropoxy) propanol 343.76
    mesitylene 172.92
    ε-caprolactone 687.25
    p-cymene 175.78
    epichlorohydrin 1046.53
    1,1,1-trichloroethane 1301.49
    2-aminoethanol 1319.06
    morpholine-4-carbaldehyde 857.26
    sulfolane 660.82
    2,2,4-trimethylpentane 152.82
    2-methyltetrahydrofuran 1364.13
    n-hexyl acetate 415.12
    isooctane 97.03
    2-(2-butoxyethoxy)ethanol 552.33
    sec-butyl acetate 276.17
    tert-butyl acetate 423.08
    decalin 89.91
    glycerin 878.53
    diglyme 833.46
    acrylic acid 1009.09
    isopropyl myristate 146.91
    n-butyric acid 1484.65
    acetyl acetate 549.15
    di(2-ethylhexyl) phthalate 144.24
    ethyl propionate 348.12
    nitromethane 1439.5
    1,2-diethoxyethane 690.1
    benzonitrile 417.61
    trioctyl phosphate 109.74
    1-bromopropane 883.72
    gamma-valerolactone 949.95
    n-decanol 236.81
    triethyl phosphate 167.72
    4-methyl-2-pentanol 421.05
    propionitrile 779.24
    vinylene carbonate 574.74
    1,1,2-trichlorotrifluoroethane 953.79
    DMS 227.4
    cumene 130.35
    2-octanol 275.75
    2-hexanone 373.5
    octyl acetate 219.03
    limonene 310.9
    1,2-dimethoxyethane 949.47
    ethyl orthosilicate 197.34
    tributyl phosphate 132.93
    diacetone alcohol 476.77
    N,N-dimethylaniline 241.86
    acrylonitrile 715.77
    aniline 824.03
    1,3-propanediol 1393.42
    bromobenzene 544.03
    dibromomethane 1556.93
    1,1,2,2-tetrachloroethane 1185.68
    2-methyl-cyclohexyl acetate 271.25
    tetrabutyl urea 150.0
    diisobutyl methanol 260.75
    2-phenylethanol 513.0
    styrene 237.89
    dioctyl adipate 166.58
    dimethyl sulfate 282.22
    ethyl butyrate 455.3
    methyl lactate 347.65
    butyl lactate 237.15
    diethyl carbonate 252.48
    propanediol butyl ether 410.45
    triethyl orthoformate 311.3
    p-tert-butyltoluene 174.68
    methyl 4-tert-butylbenzoate 246.61
    morpholine 1532.32
    tert-butylamine 971.23
    n-dodecanol 180.59
    dimethoxymethane 697.55
    ethylene carbonate 514.12
    cyrene 262.91
    2-ethoxyethyl acetate 415.74
    2-ethylhexyl acetate 439.85
    1,2,4-trichlorobenzene 492.76
    4-methylpyridine 886.84
    dibutyl ether 355.09
    2,6-dimethyl-4-heptanol 260.75
    DEF 746.84
    dimethyl isosorbide 420.7
    tetrachloroethylene 1026.05
    eugenol 278.15
    triacetin 251.74
    span 80 338.23
    1,4-butanediol 605.99
    1,1-dichloroethane 1403.5
    2-methyl-1-pentanol 720.78
    methyl formate 618.34
    2-methyl-1-butanol 1114.78
    n-decane 78.89
    butyronitrile 991.16
    3,7-dimethyl-1-octanol 338.12
    1-chlorooctane 225.59
    1-chlorotetradecane 91.23
    n-nonane 84.52
    undecane 57.86
    tert-butylcyclohexane 101.81
    cyclooctane 95.64
    cyclopentanol 909.37
    tetrahydropyran 1237.25
    tert-amyl methyl ether 741.53
    2,5,8-trioxanonane 513.21
    1-hexene 497.35
    2-isopropoxyethanol 703.43
    2,2,2-trifluoroethanol 857.25
    methyl butyrate 433.24

    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