2,4-Dimethylpyrrole

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  • Identifiers

    CAS number
    625-82-1

    Molecular formula
    C6H9N

    SMILES
    CC1=CC(=CN1)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 69.54%
    Earthy 53.75%
    Animal 51.5%
    Roasted 51.11%
    Nutty 49.03%
    Musty 41.53%
    Burnt 40.77%
    Fishy 38.45%
    Leathery 38.42%
    Woody 36.68%

     

    Flavor
    Woody 45.57%
    Nutty 37.03%
    Cocoa 34.09%
    Phenolic 31.0%
    Roasted 30.87%
    Medicinal 30.77%
    Leather 30.66%
    Coffee 30.27%
    Musty 28.85%
    Smoky 24.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.96 (neutral)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    165°C

    Flash point

    • 64.11 ˚C est.

  • Synonyms

    • 2,4-Dimethylpyrrole
    • 2,4-Dimethyl-1H-pyrrole
    • 625-82-1
    • YNQ49M599X
    • NSC-81347
    • DTXSID80211551
    • RefChem:443726
    • DTXCID10134042
    • 210-912-2
    • 1H-Pyrrole, 2,4-dimethyl-
    • Pyrrole, 2,4-dimethyl-
    • MFCD00192088
    • UNII-YNQ49M599X
    • NSC81347
    • EINECS 210-912-2
    • 2,4-Dimethyl-1-pyrrole
    • 2,4-dimethyl-1H-pyrrol
    • SCHEMBL20309
    • 2,4-Dimethylpyrrole, 97%
    • SCHEMBL316161
    • 2,4-Dimethyl-1H-pyrrole #
    • orb1905829
    • SCHEMBL1013288
    • SCHEMBL1014175
    • SCHEMBL2586665
    • SCHEMBL4451102
    • SCHEMBL9901747
    • CHEMBL3976159
    • BDBM181148
    • NSC 81347
    • SBB059454
    • AKOS006222322
    • CS-W011342
    • FD22406
    • SB62087
    • AS-57117
    • SY011114
    • US9138423, 2,4-dimethyl-1H-pyrrole
    • DB-054201
    • D2848
    • NS00035078
    • ST51044443
    • EN300-106741
    • 625D821
    • F208596
    • Q27294614
    • F0001-1678
    • InChI=1/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H
    • 625-82-1

  • Applications

    2,4-Dimethylpyrrole (CAS 625-82-1) is primarily used as an intermediate in organic synthesis and as a building block for heterocyclic pyrrole-containing compounds. In the pharmaceutical and agrochemical sectors, it is treated as a precursor for downstream derivatives and scaffolds in drug discovery programs. In the dyes and pigments field, it serves as a precursor for pyrrole-based colorants. In polymer science and electronic materials, pyrrole derivatives are employed in conductive polymers and related organic materials, with 2,4-Dimethylpyrrole potentially acting as a precursor for poly(pyrrole) systems and modified copolymers. In research and development, it is commonly evaluated as a reagent or building block for the preparation of additional heterocycles. Its use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1355.96
    methanol 1572.73
    isopropanol 813.19
    water 70.01
    ethyl acetate 556.29
    n-propanol 843.04
    acetone 627.29
    n-butanol 895.12
    acetonitrile 390.65
    DMF 609.79
    toluene 170.22
    isobutanol 616.13
    1,4-dioxane 674.4
    methyl acetate 499.33
    THF 1126.66
    2-butanone 525.4
    n-pentanol 645.48
    sec-butanol 667.11
    n-hexane 189.9
    ethylene glycol 355.55
    NMP 584.32
    cyclohexane 91.05
    DMSO 414.69
    n-butyl acetate 427.66
    n-octanol 295.79
    chloroform 820.33
    n-propyl acetate 244.42
    acetic acid 849.23
    dichloromethane 594.18
    cyclohexanone 447.12
    propylene glycol 444.17
    isopropyl acetate 305.04
    DMAc 583.37
    2-ethoxyethanol 665.86
    isopentanol 655.6
    n-heptane 144.07
    ethyl formate 353.67
    1,2-dichloroethane 281.15
    n-hexanol 829.16
    2-methoxyethanol 1056.05
    isobutyl acetate 177.35
    tetrachloromethane 225.25
    n-pentyl acetate 235.83
    transcutol 1006.76
    n-heptanol 339.16
    ethylbenzene 68.42
    MIBK 261.56
    2-propoxyethanol 983.23
    tert-butanol 751.13
    MTBE 599.71
    2-butoxyethanol 472.63
    propionic acid 574.56
    o-xylene 106.75
    formic acid 535.8
    diethyl ether 712.42
    m-xylene 121.71
    p-xylene 90.82
    chlorobenzene 182.52
    dimethyl carbonate 174.22
    n-octane 48.49
    formamide 451.19
    cyclopentanone 529.96
    2-pentanone 471.49
    anisole 182.92
    cyclopentyl methyl ether 510.13
    gamma-butyrolactone 566.14
    1-methoxy-2-propanol 722.97
    pyridine 351.94
    3-pentanone 350.88
    furfural 402.14
    n-dodecane 33.76
    diethylene glycol 648.87
    diisopropyl ether 213.0
    tert-amyl alcohol 658.52
    acetylacetone 343.41
    n-hexadecane 34.71
    acetophenone 140.58
    methyl propionate 417.96
    isopentyl acetate 314.23
    trichloroethylene 458.49
    n-nonanol 256.08
    cyclohexanol 429.93
    benzyl alcohol 192.19
    2-ethylhexanol 399.8
    isooctanol 243.64
    dipropyl ether 400.46
    1,2-dichlorobenzene 137.76
    ethyl lactate 134.97
    propylene carbonate 312.68
    n-methylformamide 452.69
    2-pentanol 576.04
    n-pentane 187.84
    1-propoxy-2-propanol 646.04
    1-methoxy-2-propyl acetate 314.94
    2-(2-methoxypropoxy) propanol 276.25
    mesitylene 72.53
    ε-caprolactone 400.32
    p-cymene 79.86
    epichlorohydrin 527.39
    1,1,1-trichloroethane 361.26
    2-aminoethanol 642.89
    morpholine-4-carbaldehyde 538.3
    sulfolane 407.25
    2,2,4-trimethylpentane 88.12
    2-methyltetrahydrofuran 813.86
    n-hexyl acetate 321.34
    isooctane 64.11
    2-(2-butoxyethoxy)ethanol 414.98
    sec-butyl acetate 172.95
    tert-butyl acetate 280.7
    decalin 46.98
    glycerin 489.92
    diglyme 543.09
    acrylic acid 413.64
    isopropyl myristate 116.3
    n-butyric acid 717.31
    acetyl acetate 263.55
    di(2-ethylhexyl) phthalate 112.28
    ethyl propionate 208.2
    nitromethane 633.66
    1,2-diethoxyethane 451.46
    benzonitrile 172.75
    trioctyl phosphate 91.55
    1-bromopropane 337.31
    gamma-valerolactone 559.21
    n-decanol 191.48
    triethyl phosphate 96.21
    4-methyl-2-pentanol 313.81
    propionitrile 356.63
    vinylene carbonate 263.1
    1,1,2-trichlorotrifluoroethane 408.17
    DMS 153.77
    cumene 65.6
    2-octanol 208.55
    2-hexanone 286.71
    octyl acetate 168.44
    limonene 141.85
    1,2-dimethoxyethane 598.29
    ethyl orthosilicate 109.75
    tributyl phosphate 106.05
    diacetone alcohol 317.57
    N,N-dimethylaniline 137.18
    acrylonitrile 305.01
    aniline 296.42
    1,3-propanediol 744.84
    bromobenzene 152.89
    dibromomethane 422.52
    1,1,2,2-tetrachloroethane 360.47
    2-methyl-cyclohexyl acetate 166.23
    tetrabutyl urea 127.66
    diisobutyl methanol 166.64
    2-phenylethanol 255.86
    styrene 87.98
    dioctyl adipate 125.3
    dimethyl sulfate 177.14
    ethyl butyrate 234.1
    methyl lactate 221.37
    butyl lactate 171.8
    diethyl carbonate 132.29
    propanediol butyl ether 326.62
    triethyl orthoformate 171.21
    p-tert-butyltoluene 80.67
    methyl 4-tert-butylbenzoate 170.59
    morpholine 808.71
    tert-butylamine 554.44
    n-dodecanol 146.37
    dimethoxymethane 515.76
    ethylene carbonate 242.56
    cyrene 203.6
    2-ethoxyethyl acetate 277.61
    2-ethylhexyl acetate 251.96
    1,2,4-trichlorobenzene 156.95
    4-methylpyridine 373.89
    dibutyl ether 266.9
    2,6-dimethyl-4-heptanol 166.64
    DEF 471.16
    dimethyl isosorbide 297.42
    tetrachloroethylene 287.76
    eugenol 188.45
    triacetin 177.97
    span 80 265.8
    1,4-butanediol 377.92
    1,1-dichloroethane 439.81
    2-methyl-1-pentanol 498.36
    methyl formate 310.72
    2-methyl-1-butanol 646.42
    n-decane 56.7
    butyronitrile 444.22
    3,7-dimethyl-1-octanol 260.52
    1-chlorooctane 142.86
    1-chlorotetradecane 65.45
    n-nonane 59.02
    undecane 41.76
    tert-butylcyclohexane 63.99
    cyclooctane 37.96
    cyclopentanol 508.41
    tetrahydropyran 655.44
    tert-amyl methyl ether 466.71
    2,5,8-trioxanonane 377.06
    1-hexene 340.47
    2-isopropoxyethanol 462.96
    2,2,2-trifluoroethanol 305.4
    methyl butyrate 248.62

    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