2-butyl-1H-pyrrole

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  • Identifiers

    CAS number
    1551-10-6

    Molecular formula
    C8H13N

    SMILES
    CCCCC1=CC=CN1

    Safety labels

  • Odor profile

    Fragrance
    Green 60.7%
    Earthy 52.47%
    Roasted 47.37%
    Nutty 42.64%
    Fatty 41.6%
    Animal 41.58%
    Vegetable 38.75%
    Musty 37.02%
    Burnt 35.69%
    Meaty 33.92%

     

    Flavor
    Green 77.02%
    Fatty 53.41%
    Herbal 52.16%
    Pepper 36.59%
    Earthy 36.57%
    Spicy 34.71%
    Nutty 33.53%
    Floral 33.47%
    Mushroom 32.19%
    Fruity 32.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.23 (neutral)

    Molecular weight
    123.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 88.47 ˚C est.

  • Synonyms

    • 2-butyl-1H-pyrrole
    • 1551-10-6
    • DTXSID50335839
    • RefChem:258007
    • DTXCID00286928
    • butylpyrrole
    • 2-butylpyrrole
    • 2-butyl-1H-pyrrol
    • SCHEMBL269444
    • SCHEMBL269445
    • SCHEMBL1338045
    • SCHEMBL1862871
    • SCHEMBL1862873
    • SCHEMBL1984309
    • SCHEMBL5251473
    • SCHEMBL6762459
    • SCHEMBL8198192
    • AKOS006347672
    • 1551-10-6

  • Applications

    2-butyl-1H-pyrrole (CAS 1551-10-6) is used as an odorant/fragrance ingredient in perfumery and cosmetics, as an intermediate or building block in organic synthesis for pharmaceuticals and agrochemicals, and as a specialty monomer or precursor in polymers and plastics, as well as in coatings and inks formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1013.77
    methanol 812.42
    isopropanol 733.78
    water 0.52
    ethyl acetate 410.99
    n-propanol 744.81
    acetone 801.45
    n-butanol 790.45
    acetonitrile 406.78
    DMF 961.69
    toluene 183.91
    isobutanol 559.67
    1,4-dioxane 731.68
    methyl acetate 363.29
    THF 1325.22
    2-butanone 508.25
    n-pentanol 521.26
    sec-butanol 536.36
    n-hexane 127.56
    ethylene glycol 171.19
    NMP 435.2
    cyclohexane 138.53
    DMSO 1329.0
    n-butyl acetate 635.62
    n-octanol 247.55
    chloroform 1096.58
    n-propyl acetate 284.78
    acetic acid 543.87
    dichloromethane 910.64
    cyclohexanone 636.79
    propylene glycol 326.1
    isopropyl acetate 249.73
    DMAc 479.25
    2-ethoxyethanol 412.96
    isopentanol 580.29
    n-heptane 162.37
    ethyl formate 336.67
    1,2-dichloroethane 498.91
    n-hexanol 947.56
    2-methoxyethanol 759.48
    isobutyl acetate 210.07
    tetrachloromethane 195.9
    n-pentyl acetate 198.85
    transcutol 963.65
    n-heptanol 273.44
    ethylbenzene 97.89
    MIBK 272.87
    2-propoxyethanol 821.8
    tert-butanol 705.54
    MTBE 433.48
    2-butoxyethanol 335.08
    propionic acid 424.41
    o-xylene 100.09
    formic acid 114.87
    diethyl ether 506.6
    m-xylene 124.8
    p-xylene 130.3
    chlorobenzene 257.57
    dimethyl carbonate 128.82
    n-octane 41.66
    formamide 146.83
    cyclopentanone 745.27
    2-pentanone 495.4
    anisole 202.06
    cyclopentyl methyl ether 470.58
    gamma-butyrolactone 678.48
    1-methoxy-2-propanol 611.04
    pyridine 524.7
    3-pentanone 295.18
    furfural 481.07
    n-dodecane 33.6
    diethylene glycol 474.02
    diisopropyl ether 148.92
    tert-amyl alcohol 425.41
    acetylacetone 411.37
    n-hexadecane 36.48
    acetophenone 179.85
    methyl propionate 318.63
    isopentyl acetate 454.26
    trichloroethylene 783.64
    n-nonanol 208.04
    cyclohexanol 435.47
    benzyl alcohol 203.12
    2-ethylhexanol 465.46
    isooctanol 198.29
    dipropyl ether 536.69
    1,2-dichlorobenzene 193.2
    ethyl lactate 129.28
    propylene carbonate 392.82
    n-methylformamide 369.81
    2-pentanol 447.49
    n-pentane 116.36
    1-propoxy-2-propanol 630.77
    1-methoxy-2-propyl acetate 377.28
    2-(2-methoxypropoxy) propanol 251.35
    mesitylene 82.34
    ε-caprolactone 437.01
    p-cymene 110.29
    epichlorohydrin 621.95
    1,1,1-trichloroethane 441.4
    2-aminoethanol 372.4
    morpholine-4-carbaldehyde 472.12
    sulfolane 639.82
    2,2,4-trimethylpentane 47.68
    2-methyltetrahydrofuran 771.16
    n-hexyl acetate 297.11
    isooctane 47.21
    2-(2-butoxyethoxy)ethanol 357.52
    sec-butyl acetate 165.09
    tert-butyl acetate 250.1
    decalin 55.09
    glycerin 309.46
    diglyme 601.01
    acrylic acid 298.78
    isopropyl myristate 130.3
    n-butyric acid 701.59
    acetyl acetate 214.55
    di(2-ethylhexyl) phthalate 127.37
    ethyl propionate 202.31
    nitromethane 580.32
    1,2-diethoxyethane 467.19
    benzonitrile 261.26
    trioctyl phosphate 104.88
    1-bromopropane 463.01
    gamma-valerolactone 655.95
    n-decanol 161.87
    triethyl phosphate 115.89
    4-methyl-2-pentanol 236.17
    propionitrile 449.35
    vinylene carbonate 316.03
    1,1,2-trichlorotrifluoroethane 417.59
    DMS 176.51
    cumene 81.47
    2-octanol 156.56
    2-hexanone 346.52
    octyl acetate 162.93
    limonene 204.11
    1,2-dimethoxyethane 729.21
    ethyl orthosilicate 120.73
    tributyl phosphate 120.51
    diacetone alcohol 285.46
    N,N-dimethylaniline 153.07
    acrylonitrile 412.07
    aniline 249.53
    1,3-propanediol 493.94
    bromobenzene 271.39
    dibromomethane 689.69
    1,1,2,2-tetrachloroethane 612.51
    2-methyl-cyclohexyl acetate 212.67
    tetrabutyl urea 166.74
    diisobutyl methanol 207.9
    2-phenylethanol 272.39
    styrene 139.22
    dioctyl adipate 166.33
    dimethyl sulfate 176.96
    ethyl butyrate 333.9
    methyl lactate 172.04
    butyl lactate 179.24
    diethyl carbonate 186.74
    propanediol butyl ether 318.93
    triethyl orthoformate 214.64
    p-tert-butyltoluene 110.98
    methyl 4-tert-butylbenzoate 177.43
    morpholine 828.25
    tert-butylamine 502.7
    n-dodecanol 133.19
    dimethoxymethane 542.43
    ethylene carbonate 282.79
    cyrene 182.55
    2-ethoxyethyl acetate 239.96
    2-ethylhexyl acetate 338.75
    1,2,4-trichlorobenzene 208.47
    4-methylpyridine 450.54
    dibutyl ether 296.9
    2,6-dimethyl-4-heptanol 207.9
    DEF 421.99
    dimethyl isosorbide 345.87
    tetrachloroethylene 432.36
    eugenol 184.74
    triacetin 212.91
    span 80 280.84
    1,4-butanediol 226.64
    1,1-dichloroethane 558.84
    2-methyl-1-pentanol 364.72
    methyl formate 270.42
    2-methyl-1-butanol 487.76
    n-decane 51.4
    butyronitrile 614.92
    3,7-dimethyl-1-octanol 231.89
    1-chlorooctane 148.54
    1-chlorotetradecane 69.3
    n-nonane 53.93
    undecane 40.05
    tert-butylcyclohexane 55.88
    cyclooctane 45.64
    cyclopentanol 497.25
    tetrahydropyran 825.59
    tert-amyl methyl ether 259.94
    2,5,8-trioxanonane 411.72
    1-hexene 386.91
    2-isopropoxyethanol 292.38
    2,2,2-trifluoroethanol 105.6
    methyl butyrate 317.33

    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