1H-Pyrrole, 3-methyl-

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  • Identifiers

    CAS number
    616-43-3

    Molecular formula
    C5H7N

    SMILES
    CC1=CNC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 64.0%
    Nutty 58.69%
    Earthy 53.68%
    Roasted 50.96%
    Animal 49.88%
    Tobacco 48.08%
    Sweet 47.99%
    Woody 47.81%
    Musty 46.56%
    Burnt 43.4%

     

    Flavor
    Woody 56.57%
    Nutty 45.64%
    Herbal 39.18%
    Tobacco 37.63%
    Leather 32.75%
    Smoky 29.03%
    Medicinal 28.96%
    Phenolic 27.92%
    Musty 27.16%
    Roasted 27.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.09 (neutral)

    Molecular weight
    81.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -48.4 °C

    Boiling point

    • 143 °C

    Flash point

    • 61.0 ˚C est.

  • Synonyms

    • 3-METHYLPYRROLE
    • 616-43-3
    • 1H-Pyrrole, 3-methyl-
    • 5-METHYLPYRROLE
    • DTXSID80210600
    • RefChem:439168
    • DTXCID70133091
    • 633-085-3
    • 3-Methyl-1H-pyrrole
    • 3-Methyl pyrrole
    • Pyrrole, 3-methyl-
    • MFCD00083419
    • CHEMBL426643
    • 89377-19-5
    • 1li6
    • 3-Methylpyrrole, liquid
    • 3-Methyl-1H-pyrrole #
    • SCHEMBL47221
    • SCHEMBL66181
    • SCHEMBL66710
    • SCHEMBL67708
    • SCHEMBL67776
    • 5MP
    • SCHEMBL358577
    • orb3023403
    • SCHEMBL8165096
    • SCHEMBL9902887
    • SCHEMBL9903203
    • BDBM50167953
    • EBC-48028
    • AKOS006223957
    • CS-W016682
    • DB01932
    • PB12076
    • PD060215
    • PS-17365
    • SY014135
    • M1144
    • NS00068816
    • EN300-88674
    • 616M433
    • F040001
    • Q27455865
    • F8889-1676
    • Z1203730789
    • 616-43-3

  • Applications

    1H-Pyrrole, 3-methyl- (CAS 616-43-3) is primarily used as a chemical building block in organic synthesis. In industry, it is commonly employed as an intermediate for pharmaceutical and agrochemical compounds, enabling routes to heteroaromatic products. It also serves as a fragrance/odorant component in perfumery and personal-care formulations due to the characteristic scent of substituted pyrroles. Additionally, it is used as a versatile building block in the synthesis of specialty chemicals, including dyes and pigments, and in materials research as a precursor for polymer and other advanced materials. Use depends on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 809.99
    methanol 998.87
    isopropanol 466.58
    water 69.35
    ethyl acetate 339.38
    n-propanol 577.11
    acetone 374.19
    n-butanol 554.51
    acetonitrile 340.3
    DMF 585.65
    toluene 69.91
    isobutanol 341.91
    1,4-dioxane 292.98
    methyl acetate 315.35
    THF 468.49
    2-butanone 292.48
    n-pentanol 336.03
    sec-butanol 384.22
    n-hexane 20.82
    ethylene glycol 261.87
    NMP 304.89
    cyclohexane 13.63
    DMSO 283.43
    n-butyl acetate 190.8
    n-octanol 103.24
    chloroform 619.83
    n-propyl acetate 142.16
    acetic acid 657.34
    dichloromethane 385.06
    cyclohexanone 204.94
    propylene glycol 355.7
    isopropyl acetate 161.72
    DMAc 481.04
    2-ethoxyethanol 406.47
    isopentanol 352.99
    n-heptane 25.66
    ethyl formate 267.57
    1,2-dichloroethane 161.68
    n-hexanol 312.87
    2-methoxyethanol 732.8
    isobutyl acetate 90.58
    tetrachloromethane 123.72
    n-pentyl acetate 107.35
    transcutol 604.43
    n-heptanol 150.69
    ethylbenzene 27.29
    MIBK 137.53
    2-propoxyethanol 453.33
    tert-butanol 372.62
    MTBE 205.33
    2-butoxyethanol 263.58
    propionic acid 460.55
    o-xylene 45.33
    formic acid 464.26
    diethyl ether 235.13
    m-xylene 51.07
    p-xylene 41.66
    chlorobenzene 104.05
    dimethyl carbonate 135.12
    n-octane 9.17
    formamide 509.58
    cyclopentanone 298.35
    2-pentanone 276.53
    anisole 107.83
    cyclopentyl methyl ether 185.95
    gamma-butyrolactone 351.54
    1-methoxy-2-propanol 507.79
    pyridine 273.69
    3-pentanone 182.01
    furfural 313.61
    n-dodecane 6.26
    diethylene glycol 342.51
    diisopropyl ether 52.76
    tert-amyl alcohol 305.79
    acetylacetone 194.31
    n-hexadecane 6.31
    acetophenone 98.2
    methyl propionate 279.17
    isopentyl acetate 129.48
    trichloroethylene 384.43
    n-nonanol 91.36
    cyclohexanol 176.09
    benzyl alcohol 134.85
    2-ethylhexanol 149.59
    isooctanol 105.85
    dipropyl ether 134.89
    1,2-dichlorobenzene 82.52
    ethyl lactate 100.08
    propylene carbonate 202.73
    n-methylformamide 521.44
    2-pentanol 306.77
    n-pentane 29.5
    1-propoxy-2-propanol 330.22
    1-methoxy-2-propyl acetate 164.89
    2-(2-methoxypropoxy) propanol 136.55
    mesitylene 26.7
    ε-caprolactone 200.23
    p-cymene 32.77
    epichlorohydrin 331.52
    1,1,1-trichloroethane 212.55
    2-aminoethanol 549.72
    morpholine-4-carbaldehyde 313.39
    sulfolane 214.95
    2,2,4-trimethylpentane 17.77
    2-methyltetrahydrofuran 291.85
    n-hexyl acetate 113.92
    isooctane 11.64
    2-(2-butoxyethoxy)ethanol 223.87
    sec-butyl acetate 88.86
    tert-butyl acetate 123.12
    decalin 8.98
    glycerin 401.33
    diglyme 329.52
    acrylic acid 407.67
    isopropyl myristate 40.57
    n-butyric acid 609.8
    acetyl acetate 152.66
    di(2-ethylhexyl) phthalate 48.3
    ethyl propionate 126.37
    nitromethane 610.08
    1,2-diethoxyethane 186.91
    benzonitrile 125.24
    trioctyl phosphate 35.76
    1-bromopropane 123.46
    gamma-valerolactone 332.59
    n-decanol 66.15
    triethyl phosphate 47.16
    4-methyl-2-pentanol 151.63
    propionitrile 305.0
    vinylene carbonate 198.05
    1,1,2-trichlorotrifluoroethane 346.01
    DMS 75.19
    cumene 25.68
    2-octanol 80.42
    2-hexanone 141.19
    octyl acetate 63.81
    limonene 50.83
    1,2-dimethoxyethane 313.63
    ethyl orthosilicate 51.45
    tributyl phosphate 41.03
    diacetone alcohol 199.06
    N,N-dimethylaniline 79.33
    acrylonitrile 338.87
    aniline 195.79
    1,3-propanediol 533.15
    bromobenzene 80.22
    dibromomethane 235.52
    1,1,2,2-tetrachloroethane 284.4
    2-methyl-cyclohexyl acetate 74.78
    tetrabutyl urea 53.13
    diisobutyl methanol 65.52
    2-phenylethanol 140.94
    styrene 40.12
    dioctyl adipate 52.96
    dimethyl sulfate 147.04
    ethyl butyrate 130.35
    methyl lactate 190.62
    butyl lactate 101.22
    diethyl carbonate 75.29
    propanediol butyl ether 182.1
    triethyl orthoformate 84.0
    p-tert-butyltoluene 31.92
    methyl 4-tert-butylbenzoate 92.78
    morpholine 420.95
    tert-butylamine 234.82
    n-dodecanol 47.62
    dimethoxymethane 336.45
    ethylene carbonate 157.2
    cyrene 105.47
    2-ethoxyethyl acetate 141.63
    2-ethylhexyl acetate 96.01
    1,2,4-trichlorobenzene 97.52
    4-methylpyridine 238.98
    dibutyl ether 84.38
    2,6-dimethyl-4-heptanol 65.52
    DEF 291.2
    dimethyl isosorbide 148.1
    tetrachloroethylene 240.27
    eugenol 115.8
    triacetin 92.27
    span 80 136.94
    1,4-butanediol 230.21
    1,1-dichloroethane 262.82
    2-methyl-1-pentanol 239.19
    methyl formate 298.22
    2-methyl-1-butanol 341.54
    n-decane 10.9
    butyronitrile 317.83
    3,7-dimethyl-1-octanol 89.42
    1-chlorooctane 40.91
    1-chlorotetradecane 14.4
    n-nonane 10.43
    undecane 7.8
    tert-butylcyclohexane 11.97
    cyclooctane 5.86
    cyclopentanol 237.35
    tetrahydropyran 242.12
    tert-amyl methyl ether 159.52
    2,5,8-trioxanonane 202.1
    1-hexene 80.76
    2-isopropoxyethanol 258.31
    2,2,2-trifluoroethanol 281.51
    methyl butyrate 167.42

    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