2,5-Dimethylpyrrole

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  • Identifiers

    CAS number
    625-84-3

    Molecular formula
    C6H9N

    SMILES
    CC1=CC=C(N1)C

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Green 77.48%
    Earthy 54.62%
    Animal 51.05%
    Fishy 49.65%
    Nutty 48.03%
    Musty 45.03%
    Roasted 43.08%
    Burnt 41.68%
    Vegetable 36.75%
    Leathery 35.67%

     

    Flavor
    Woody 43.76%
    Nutty 38.8%
    Cocoa 35.1%
    Phenolic 31.58%
    Medicinal 31.04%
    Roasted 30.71%
    Coffee 29.99%
    Musty 26.9%
    Leather 26.56%
    Meaty 24.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.36 (neutral)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 7.7 °C

    Boiling point

    • 168.00 to 171.00 °C. @ 740.00 mm Hg

    Flash point

    • 57.33 ˚C est.

  • Synonyms

    • 2,5-Dimethyl-1H-pyrrole
    • 2,5-DIMETHYLPYRROLE
    • 625-84-3
    • 1H-Pyrrole, 2,5-dimethyl-
    • Pyrrole, 2,5-dimethyl-
    • 2,5-Dimethylazole
    • Pyrrole,2,5-dimethyl
    • NSC 4507
    • EINECS 210-913-8
    • MZ3OYF5521
    • 2,5-dimethyl-pyrrole
    • NSC-4507
    • DTXSID40211552
    • EC 210-913-8
    • 2,5-DIMETHYLPYRROLE [FCC]
    • UNII-MZ3OYF5521
    • 2,5-Dimethylpyrrole, 98%
    • 2,5-DIMETHYL PYRROLE
    • 2,5Dimethylazole
    • MFCD00005223
    • Pyrrole,5-dimethyl-
    • 2,5Dimethyl1Hpyrrole
    • 2, 5-Dimethylpyrrole
    • Pyrrole, 2,5dimethyl
    • 2,5-1H-dimethylpyrrole
    • 1H-Pyrrole,5-dimethyl-
    • 1HPyrrole, 2,5dimethyl
    • 2,5-dimethyl-1H-pyrrol
    • 2, 5-dimethyl-1H-pyrrole
    • CHEMBL3901947
    • DTXCID70134043
    • NSC4507
    • Pyrrole, 2,5-dimethyl-(8CI)
    • CHEBI:185789
    • BDBM181149
    • Pyrrole, 2,5-dimethyl- (8CI)
    • BCP18596
    • AKOS002664627
    • CS-W011343
    • SB63881
    • NCGC00188231-01
    • US9138423, 2,5-dimethyl-1H-pyrrole
    • DB-020114
    • D0260
    • NS00008763
    • EN300-49164
    • O10615
    • A833863
    • Q27284301
    • F1918-0031
    • InChI=1/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H
    • 210-913-8

  • Applications

    2,5-Dimethylpyrrole (CAS 625-84-3) is a versatile building block in organic synthesis, serving as an intermediate for the preparation of substituted pyrrole derivatives used in pharmaceutical, agrochemical, and dye/formulation chemistries. In perfumery and flavor applications, it may be employed as an odorant or fragrance intermediate, contributing pyrrolic notes to formulated scents and flavor systems. In cosmetics and personal care, it can function as an odorant component or synthesis precursor, subject to regulatory limits. It also finds utility in polymers and coatings as a building block for the synthesis of heterocyclic dyes, specialized monomers, or conducting-polymer precursors, and in research settings as a precursor for new heterocyclic compounds. These uses are typically realized under controlled formulation conditions and in accordance with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 510.13
    methanol 646.61
    isopropanol 354.38
    water 32.96
    ethyl acetate 280.74
    n-propanol 376.55
    acetone 340.54
    n-butanol 363.2
    acetonitrile 203.17
    DMF 390.22
    toluene 107.58
    isobutanol 282.91
    1,4-dioxane 383.7
    methyl acetate 285.37
    THF 658.0
    2-butanone 289.7
    n-pentanol 264.64
    sec-butanol 317.83
    n-hexane 118.93
    ethylene glycol 187.09
    NMP 452.86
    cyclohexane 71.95
    DMSO 283.95
    n-butyl acetate 169.22
    n-octanol 153.83
    chloroform 480.71
    n-propyl acetate 120.92
    acetic acid 346.41
    dichloromethane 347.99
    cyclohexanone 276.03
    propylene glycol 242.12
    isopropyl acetate 149.46
    DMAc 430.92
    2-ethoxyethanol 291.69
    isopentanol 254.82
    n-heptane 79.34
    ethyl formate 157.74
    1,2-dichloroethane 178.24
    n-hexanol 346.06
    2-methoxyethanol 475.13
    isobutyl acetate 93.89
    tetrachloromethane 139.58
    n-pentyl acetate 128.67
    transcutol 466.71
    n-heptanol 155.85
    ethylbenzene 42.62
    MIBK 126.25
    2-propoxyethanol 454.92
    tert-butanol 333.63
    MTBE 290.47
    2-butoxyethanol 227.01
    propionic acid 278.4
    o-xylene 72.86
    formic acid 213.95
    diethyl ether 363.44
    m-xylene 72.15
    p-xylene 59.38
    chlorobenzene 112.14
    dimethyl carbonate 110.3
    n-octane 30.4
    formamide 212.48
    cyclopentanone 367.85
    2-pentanone 232.37
    anisole 107.46
    cyclopentyl methyl ether 287.53
    gamma-butyrolactone 377.66
    1-methoxy-2-propanol 354.3
    pyridine 200.83
    3-pentanone 202.31
    furfural 245.0
    n-dodecane 23.22
    diethylene glycol 309.9
    diisopropyl ether 114.43
    tert-amyl alcohol 308.91
    acetylacetone 200.02
    n-hexadecane 24.39
    acetophenone 87.58
    methyl propionate 245.56
    isopentyl acetate 138.89
    trichloroethylene 270.08
    n-nonanol 133.91
    cyclohexanol 223.99
    benzyl alcohol 99.1
    2-ethylhexanol 164.96
    isooctanol 113.26
    dipropyl ether 201.65
    1,2-dichlorobenzene 89.48
    ethyl lactate 78.29
    propylene carbonate 188.81
    n-methylformamide 244.67
    2-pentanol 246.47
    n-pentane 107.05
    1-propoxy-2-propanol 292.71
    1-methoxy-2-propyl acetate 173.19
    2-(2-methoxypropoxy) propanol 157.24
    mesitylene 45.95
    ε-caprolactone 242.47
    p-cymene 47.84
    epichlorohydrin 304.6
    1,1,1-trichloroethane 236.2
    2-aminoethanol 304.05
    morpholine-4-carbaldehyde 341.83
    sulfolane 320.65
    2,2,4-trimethylpentane 48.29
    2-methyltetrahydrofuran 438.21
    n-hexyl acetate 180.01
    isooctane 32.44
    2-(2-butoxyethoxy)ethanol 222.95
    sec-butyl acetate 92.61
    tert-butyl acetate 149.99
    decalin 33.82
    glycerin 281.26
    diglyme 303.8
    acrylic acid 213.34
    isopropyl myristate 77.22
    n-butyric acid 301.59
    acetyl acetate 148.65
    di(2-ethylhexyl) phthalate 72.41
    ethyl propionate 119.06
    nitromethane 335.47
    1,2-diethoxyethane 218.86
    benzonitrile 91.14
    trioctyl phosphate 56.89
    1-bromopropane 191.64
    gamma-valerolactone 349.92
    n-decanol 102.7
    triethyl phosphate 60.74
    4-methyl-2-pentanol 130.99
    propionitrile 180.1
    vinylene carbonate 156.71
    1,1,2-trichlorotrifluoroethane 253.68
    DMS 116.66
    cumene 42.04
    2-octanol 104.45
    2-hexanone 144.65
    octyl acetate 105.33
    limonene 83.21
    1,2-dimethoxyethane 306.21
    ethyl orthosilicate 65.18
    tributyl phosphate 66.98
    diacetone alcohol 163.55
    N,N-dimethylaniline 85.52
    acrylonitrile 162.05
    aniline 160.34
    1,3-propanediol 307.77
    bromobenzene 98.14
    dibromomethane 262.11
    1,1,2,2-tetrachloroethane 239.86
    2-methyl-cyclohexyl acetate 98.98
    tetrabutyl urea 82.56
    diisobutyl methanol 81.82
    2-phenylethanol 124.18
    styrene 53.66
    dioctyl adipate 86.72
    dimethyl sulfate 143.86
    ethyl butyrate 111.69
    methyl lactate 138.26
    butyl lactate 99.71
    diethyl carbonate 72.61
    propanediol butyl ether 176.87
    triethyl orthoformate 92.53
    p-tert-butyltoluene 50.55
    methyl 4-tert-butylbenzoate 116.17
    morpholine 429.26
    tert-butylamine 246.94
    n-dodecanol 79.82
    dimethoxymethane 303.62
    ethylene carbonate 145.35
    cyrene 128.34
    2-ethoxyethyl acetate 159.47
    2-ethylhexyl acetate 118.33
    1,2,4-trichlorobenzene 110.14
    4-methylpyridine 208.43
    dibutyl ether 149.83
    2,6-dimethyl-4-heptanol 81.82
    DEF 240.61
    dimethyl isosorbide 194.47
    tetrachloroethylene 183.84
    eugenol 110.17
    triacetin 132.39
    span 80 164.99
    1,4-butanediol 163.84
    1,1-dichloroethane 252.77
    2-methyl-1-pentanol 204.0
    methyl formate 176.49
    2-methyl-1-butanol 283.74
    n-decane 37.08
    butyronitrile 190.67
    3,7-dimethyl-1-octanol 133.94
    1-chlorooctane 89.13
    1-chlorotetradecane 42.17
    n-nonane 39.19
    undecane 28.2
    tert-butylcyclohexane 41.55
    cyclooctane 29.27
    cyclopentanol 280.42
    tetrahydropyran 363.45
    tert-amyl methyl ether 236.01
    2,5,8-trioxanonane 224.28
    1-hexene 178.54
    2-isopropoxyethanol 212.42
    2,2,2-trifluoroethanol 163.58
    methyl butyrate 132.85

    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