1,2-Dimethyl-1H-pyrrole

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  • Identifiers

    CAS number
    600-29-3

    Molecular formula
    C6H9N

    SMILES
    CC1=CC=CN1C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 51.94%
    Green 51.59%
    Nutty 51.03%
    Animal 50.06%
    Roasted 47.26%
    Musty 45.81%
    Herbal 43.43%
    Tobacco 41.21%
    Leathery 40.9%
    Woody 40.55%

     

    Flavor
    Nutty 53.77%
    Woody 44.21%
    Roasted 39.8%
    Musty 35.68%
    Earthy 34.6%
    Cocoa 34.42%
    Coffee 33.34%
    Leather 31.53%
    Medicinal 28.47%
    Roast 28.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.0 (neutral)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 19.71 ˚C est.

  • Synonyms

    • 1,2-dimethyl-1H-pyrrole
    • RefChem:411752
    • 980-349-1
    • 1,2-dimethylpyrrole
    • 600-29-3
    • 1H-Pyrrole, 1,2-dimethyl-
    • 1,2-dimethyl-pyrrole
    • 1H-Pyrrole, 1,2-dimethyl
    • SCHEMBL143814
    • SCHEMBL431186
    • SCHEMBL2044524
    • SCHEMBL2044890
    • SCHEMBL2048754
    • SCHEMBL5789767
    • SCHEMBL18497039
    • DTXSID40396954
    • AAA60029
    • MFCD22495084
    • DA-19720
    • SY392757
    • EN300-225459
    • F84689
    • F982967
    • 600-29-3

  • Applications

    1,2-Dimethyl-1H-pyrrole (CAS 600-29-3) is used as a synthetic building block and intermediate across several chemical sectors. In pharmaceuticals and medicinal chemistry, it provides a versatile heteroaromatic scaffold for the preparation of more complex molecules. In the fragrance and cosmetics arena, it can serve as a fragrance note or aroma intermediate due to its pyrrolic structure. It also appears as a precursor in agrochemical research and development, enabling the assembly of various heterocyclic compounds. In polymer and materials science, it is employed as a starting material for pyrrole-containing monomers and related derivatives, contributing to conductive polymer research and dyeing/pigment applications. In electronics, pyrrole derivatives underpin conductive polymers, and substituted pyrroles like this compound may be explored as building blocks or intermediates in such systems. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2248.28
    methanol 3125.96
    isopropanol 1469.11
    water 319.88
    ethyl acetate 1015.73
    n-propanol 1796.54
    acetone 1123.94
    n-butanol 1425.48
    acetonitrile 1545.34
    DMF 1795.77
    toluene 701.83
    isobutanol 1190.78
    1,4-dioxane 1841.06
    methyl acetate 1104.77
    THF 1270.59
    2-butanone 1009.53
    n-pentanol 778.44
    sec-butanol 1358.97
    n-hexane 142.24
    ethylene glycol 983.54
    NMP 992.74
    cyclohexane 241.25
    DMSO 1032.02
    n-butyl acetate 242.42
    n-octanol 219.74
    chloroform 4140.63
    n-propyl acetate 248.59
    acetic acid 1455.16
    dichloromethane 3275.92
    cyclohexanone 813.32
    propylene glycol 1224.54
    isopropyl acetate 403.91
    DMAc 1480.11
    2-ethoxyethanol 1052.57
    isopentanol 822.64
    n-heptane 103.55
    ethyl formate 699.58
    1,2-dichloroethane 1477.07
    n-hexanol 552.63
    2-methoxyethanol 2095.77
    isobutyl acetate 133.52
    tetrachloromethane 1130.94
    n-pentyl acetate 194.17
    transcutol 1147.13
    n-heptanol 266.63
    ethylbenzene 210.83
    MIBK 248.06
    2-propoxyethanol 757.61
    tert-butanol 1137.77
    MTBE 743.78
    2-butoxyethanol 447.65
    propionic acid 1196.72
    o-xylene 375.52
    formic acid 1293.4
    diethyl ether 1143.12
    m-xylene 320.44
    p-xylene 282.58
    chlorobenzene 756.12
    dimethyl carbonate 357.56
    n-octane 39.26
    formamide 1753.32
    cyclopentanone 847.73
    2-pentanone 627.51
    anisole 494.49
    cyclopentyl methyl ether 662.88
    gamma-butyrolactone 918.16
    1-methoxy-2-propanol 1191.84
    pyridine 1712.01
    3-pentanone 620.91
    furfural 992.11
    n-dodecane 26.26
    diethylene glycol 643.13
    diisopropyl ether 200.3
    tert-amyl alcohol 1011.87
    acetylacetone 515.59
    n-hexadecane 28.33
    acetophenone 323.01
    methyl propionate 863.14
    isopentyl acetate 175.64
    trichloroethylene 2414.35
    n-nonanol 201.49
    cyclohexanol 874.4
    benzyl alcohol 559.13
    2-ethylhexanol 238.11
    isooctanol 181.72
    dipropyl ether 327.4
    1,2-dichlorobenzene 568.34
    ethyl lactate 164.6
    propylene carbonate 421.12
    n-methylformamide 1622.25
    2-pentanol 808.58
    n-pentane 255.13
    1-propoxy-2-propanol 456.6
    1-methoxy-2-propyl acetate 281.73
    2-(2-methoxypropoxy) propanol 221.83
    mesitylene 154.75
    ε-caprolactone 665.99
    p-cymene 112.91
    epichlorohydrin 1308.03
    1,1,1-trichloroethane 1683.15
    2-aminoethanol 1697.25
    morpholine-4-carbaldehyde 1225.26
    sulfolane 613.07
    2,2,4-trimethylpentane 87.93
    2-methyltetrahydrofuran 1187.22
    n-hexyl acetate 232.61
    isooctane 42.16
    2-(2-butoxyethoxy)ethanol 367.22
    sec-butyl acetate 159.4
    tert-butyl acetate 276.3
    decalin 63.68
    glycerin 1213.35
    diglyme 645.31
    acrylic acid 1053.25
    isopropyl myristate 84.53
    n-butyric acid 1154.56
    acetyl acetate 471.89
    di(2-ethylhexyl) phthalate 90.97
    ethyl propionate 291.24
    nitromethane 1782.67
    1,2-diethoxyethane 441.44
    benzonitrile 531.03
    trioctyl phosphate 56.88
    1-bromopropane 1056.66
    gamma-valerolactone 1185.21
    n-decanol 140.81
    triethyl phosphate 92.76
    4-methyl-2-pentanol 292.97
    propionitrile 1163.14
    vinylene carbonate 499.59
    1,1,2-trichlorotrifluoroethane 1088.17
    DMS 198.77
    cumene 124.03
    2-octanol 158.08
    2-hexanone 256.84
    octyl acetate 120.58
    limonene 163.55
    1,2-dimethoxyethane 928.45
    ethyl orthosilicate 105.0
    tributyl phosphate 64.65
    diacetone alcohol 372.53
    N,N-dimethylaniline 296.0
    acrylonitrile 1269.67
    aniline 1278.88
    1,3-propanediol 1424.04
    bromobenzene 699.89
    dibromomethane 2136.55
    1,1,2,2-tetrachloroethane 1825.74
    2-methyl-cyclohexyl acetate 122.51
    tetrabutyl urea 87.49
    diisobutyl methanol 114.85
    2-phenylethanol 380.98
    styrene 315.67
    dioctyl adipate 99.0
    dimethyl sulfate 437.41
    ethyl butyrate 205.93
    methyl lactate 435.49
    butyl lactate 148.19
    diethyl carbonate 134.25
    propanediol butyl ether 286.65
    triethyl orthoformate 153.74
    p-tert-butyltoluene 110.31
    methyl 4-tert-butylbenzoate 207.0
    morpholine 2249.03
    tert-butylamine 885.52
    n-dodecanol 107.13
    dimethoxymethane 878.51
    ethylene carbonate 428.08
    cyrene 208.99
    2-ethoxyethyl acetate 295.59
    2-ethylhexyl acetate 140.64
    1,2,4-trichlorobenzene 679.5
    4-methylpyridine 1328.6
    dibutyl ether 196.34
    2,6-dimethyl-4-heptanol 114.85
    DEF 868.68
    dimethyl isosorbide 272.75
    tetrachloroethylene 1531.32
    eugenol 224.79
    triacetin 195.41
    span 80 228.24
    1,4-butanediol 602.05
    1,1-dichloroethane 1994.11
    2-methyl-1-pentanol 490.51
    methyl formate 839.55
    2-methyl-1-butanol 970.18
    n-decane 47.36
    butyronitrile 999.46
    3,7-dimethyl-1-octanol 175.26
    1-chlorooctane 144.92
    1-chlorotetradecane 56.91
    n-nonane 47.56
    undecane 33.62
    tert-butylcyclohexane 59.3
    cyclooctane 69.27
    cyclopentanol 928.0
    tetrahydropyran 1398.88
    tert-amyl methyl ether 541.21
    2,5,8-trioxanonane 399.76
    1-hexene 351.19
    2-isopropoxyethanol 545.81
    2,2,2-trifluoroethanol 740.29
    methyl butyrate 343.7

    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