1,2,5-Trimethylpyrrole

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  • Identifiers

    CAS number
    930-87-0

    Molecular formula
    C7H11N

    SMILES
    CC1=CC=C(N1C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 52.02%
    Nutty 50.96%
    Musty 50.0%
    Roasted 47.88%
    Green 47.12%
    Animal 45.89%
    Burnt 43.9%
    Leathery 40.41%
    Fishy 37.85%
    Herbal 37.4%

     

    Flavor
    Nutty 52.8%
    Cocoa 42.9%
    Musty 42.54%
    Roasted 42.31%
    Coffee 38.3%
    Burnt 33.77%
    Earthy 33.03%
    Meaty 32.04%
    Roast 30.46%
    Phenolic 29.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.0 (neutral)

    Molecular weight
    109.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 171.00 °C. @ 760.00 mm Hg

    Flash point

    • 30.29 ˚C est.

  • Synonyms

    • 1,2,5-Trimethylpyrrole
    • 930-87-0
    • 1,2,5-Trimethyl-1H-pyrrole
    • 1H-Pyrrole, 1,2,5-trimethyl-
    • 7K4P5HS0RP
    • EINECS 213-225-6
    • NSC 81220
    • NSC-81220
    • PYRROLE, 1,2,5-TRIMETHYL-
    • 1,2,5-TRIMEHYLPYRROLE
    • DTXSID20239239
    • RefChem:411048
    • DTXCID90161730
    • 213-225-6
    • MFCD00003090
    • Pyrrole, 1,2,5-trimethyl
    • NSC81220
    • 1.2.5-Trimethylpyrrole
    • UNII-7K4P5HS0RP
    • pyrrole, 1,2,5 trimethyl-
    • SCHEMBL254079
    • SCHEMBL3142018
    • SCHEMBL6412314
    • 1,2,5-Trimethylpyrrole, 99%
    • CHEBI:184439
    • 1,2,5-Trimethyl-1H-pyrrole #
    • AKOS000101244
    • AS-78356
    • SY048165
    • CS-0239671
    • NS00042220
    • T1939
    • EN300-21742
    • D92550
    • F656634
    • Q63396362
    • InChI=1/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H
    • 930-87-0

  • Applications

    1,2,5-Trimethylpyrrole (CAS 930-87-0) is primarily used as an organic synthesis intermediate and a building block for substituted pyrrole derivatives, enabling access to a range of heterocyclic compounds. In industrial settings it is commonly employed as a precursor in pharmaceutical and agrochemical synthesis; it also serves as a feedstock for dye and pigment chemistry and as a functionalized building block in specialty polymers and materials. Additionally, it is used as a laboratory reagent and reference material in research and development efforts. The use of this compound is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 720.74
    methanol 1138.25
    isopropanol 509.38
    water 98.5
    ethyl acetate 376.55
    n-propanol 647.12
    acetone 389.08
    n-butanol 573.15
    acetonitrile 453.88
    DMF 583.12
    toluene 345.9
    isobutanol 460.52
    1,4-dioxane 798.55
    methyl acetate 384.25
    THF 814.31
    2-butanone 407.43
    n-pentanol 323.3
    sec-butanol 518.28
    n-hexane 162.12
    ethylene glycol 254.06
    NMP 570.66
    cyclohexane 233.74
    DMSO 397.45
    n-butyl acetate 165.41
    n-octanol 125.62
    chloroform 2045.86
    n-propyl acetate 141.29
    acetic acid 428.86
    dichloromethane 1623.4
    cyclohexanone 438.86
    propylene glycol 271.71
    isopropyl acetate 190.02
    DMAc 562.89
    2-ethoxyethanol 418.66
    isopentanol 367.63
    n-heptane 104.48
    ethyl formate 269.75
    1,2-dichloroethane 727.91
    n-hexanol 302.39
    2-methoxyethanol 715.02
    isobutyl acetate 94.38
    tetrachloromethane 694.17
    n-pentyl acetate 133.21
    transcutol 503.92
    n-heptanol 156.0
    ethylbenzene 141.84
    MIBK 146.61
    2-propoxyethanol 410.15
    tert-butanol 438.87
    MTBE 421.59
    2-butoxyethanol 230.11
    propionic acid 403.72
    o-xylene 231.65
    formic acid 401.07
    diethyl ether 587.79
    m-xylene 185.34
    p-xylene 183.18
    chlorobenzene 387.26
    dimethyl carbonate 133.98
    n-octane 44.78
    formamide 514.82
    cyclopentanone 485.38
    2-pentanone 282.75
    anisole 249.61
    cyclopentyl methyl ether 421.81
    gamma-butyrolactone 484.23
    1-methoxy-2-propanol 428.78
    pyridine 602.79
    3-pentanone 299.06
    furfural 465.47
    n-dodecane 27.4
    diethylene glycol 293.46
    diisopropyl ether 152.59
    tert-amyl alcohol 466.35
    acetylacetone 219.71
    n-hexadecane 30.12
    acetophenone 170.78
    methyl propionate 304.93
    isopentyl acetate 143.67
    trichloroethylene 1100.04
    n-nonanol 123.1
    cyclohexanol 429.02
    benzyl alcohol 215.11
    2-ethylhexanol 158.52
    isooctanol 117.59
    dipropyl ether 233.02
    1,2-dichlorobenzene 320.5
    ethyl lactate 85.0
    propylene carbonate 230.1
    n-methylformamide 448.9
    2-pentanol 344.65
    n-pentane 213.02
    1-propoxy-2-propanol 242.35
    1-methoxy-2-propyl acetate 177.29
    2-(2-methoxypropoxy) propanol 155.42
    mesitylene 114.06
    ε-caprolactone 352.03
    p-cymene 93.47
    epichlorohydrin 670.73
    1,1,1-trichloroethane 853.18
    2-aminoethanol 455.27
    morpholine-4-carbaldehyde 495.2
    sulfolane 429.91
    2,2,4-trimethylpentane 84.81
    2-methyltetrahydrofuran 710.5
    n-hexyl acetate 159.4
    isooctane 42.97
    2-(2-butoxyethoxy)ethanol 211.2
    sec-butyl acetate 111.58
    tert-butyl acetate 177.05
    decalin 81.12
    glycerin 287.35
    diglyme 379.53
    acrylic acid 348.27
    isopropyl myristate 80.98
    n-butyric acid 402.82
    acetyl acetate 204.89
    di(2-ethylhexyl) phthalate 75.4
    ethyl propionate 162.56
    nitromethane 537.62
    1,2-diethoxyethane 275.49
    benzonitrile 224.94
    trioctyl phosphate 52.1
    1-bromopropane 620.84
    gamma-valerolactone 540.19
    n-decanol 90.76
    triethyl phosphate 86.84
    4-methyl-2-pentanol 154.32
    propionitrile 411.92
    vinylene carbonate 236.89
    1,1,2-trichlorotrifluoroethane 486.84
    DMS 133.14
    cumene 108.2
    2-octanol 106.74
    2-hexanone 158.64
    octyl acetate 96.41
    limonene 133.73
    1,2-dimethoxyethane 475.03
    ethyl orthosilicate 96.32
    tributyl phosphate 62.38
    diacetone alcohol 182.1
    N,N-dimethylaniline 183.97
    acrylonitrile 415.6
    aniline 468.94
    1,3-propanediol 453.58
    bromobenzene 398.57
    dibromomethane 1151.46
    1,1,2,2-tetrachloroethane 945.65
    2-methyl-cyclohexyl acetate 121.85
    tetrabutyl urea 78.59
    diisobutyl methanol 86.3
    2-phenylethanol 196.91
    styrene 178.55
    dioctyl adipate 93.22
    dimethyl sulfate 191.73
    ethyl butyrate 145.57
    methyl lactate 149.0
    butyl lactate 90.57
    diethyl carbonate 99.88
    propanediol butyl ether 132.82
    triethyl orthoformate 124.17
    p-tert-butyltoluene 96.08
    methyl 4-tert-butylbenzoate 158.67
    morpholine 850.28
    tert-butylamine 387.86
    n-dodecanol 70.62
    dimethoxymethane 373.53
    ethylene carbonate 219.17
    cyrene 151.22
    2-ethoxyethyl acetate 183.74
    2-ethylhexyl acetate 127.81
    1,2,4-trichlorobenzene 384.59
    4-methylpyridine 484.34
    dibutyl ether 151.55
    2,6-dimethyl-4-heptanol 86.3
    DEF 334.79
    dimethyl isosorbide 245.58
    tetrachloroethylene 788.1
    eugenol 150.0
    triacetin 136.94
    span 80 140.58
    1,4-butanediol 184.29
    1,1-dichloroethane 892.21
    2-methyl-1-pentanol 265.87
    methyl formate 276.3
    2-methyl-1-butanol 441.89
    n-decane 46.14
    butyronitrile 381.8
    3,7-dimethyl-1-octanol 121.24
    1-chlorooctane 114.34
    1-chlorotetradecane 53.27
    n-nonane 46.94
    undecane 33.53
    tert-butylcyclohexane 74.21
    cyclooctane 81.84
    cyclopentanol 471.18
    tetrahydropyran 697.02
    tert-amyl methyl ether 344.13
    2,5,8-trioxanonane 264.17
    1-hexene 265.9
    2-isopropoxyethanol 245.08
    2,2,2-trifluoroethanol 270.95
    methyl butyrate 180.44

    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