1-Pentylpyrrole-2-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    35250-62-5

    Molecular formula
    C10H15NO

    SMILES
    CCCCCN1C=CC=C1C=O

  • Odor profile

    Fragrance
    Green 44.22%
    Roasted 38.44%
    Fatty 31.11%
    Earthy 30.7%
    Nutty 30.09%
    Metallic 28.39%
    Meaty 24.98%
    Musty 24.89%
    Animal 24.78%
    Herbal 24.7%

     

    Flavor
    Green 56.9%
    Herbal 56.86%
    Fatty 35.3%
    Oily 32.8%
    Spicy 30.74%
    Earthy 29.49%
    Fresh 28.66%
    Pepper 28.19%
    Waxy 28.0%
    Floral 26.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.25 (neutral)

    Molecular weight
    165.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    296°C

    Flash point

    • 113.01 ˚C est.

  • Synonyms

    • SCHEMBL11337902

  • Applications

    1-Pentylpyrrole-2-carbaldehyde (CAS 35250-62-5) is a functionalized heteroaromatic building block bearing a reactive aldehyde, widely used in synthesis to form Schiff bases/imines, oximes, and hydrazones, as a precursor to the corresponding alcohols/acids, and to extend conjugation and tune electronic properties; its lipophilic pentyl chain helps adjust solubility and lipophilicity, aiding medicinal and agrochemical discovery, and enabling access to fused heterocycles, dipyrrins/porphyrinoids, and conjugated organic materials for electronic/photonic research; it also serves as a motif to install pyrrolic units onto surfaces/polymers via reductive amination-type transformations and as a reference scaffold in SAR-driven library screening.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2096.52
    methanol 3357.15
    isopropanol 1020.35
    water 3.52
    ethyl acetate 1387.69
    n-propanol 1421.71
    acetone 2279.19
    n-butanol 1292.27
    acetonitrile 1351.77
    DMF 2447.13
    toluene 464.57
    isobutanol 962.86
    1,4-dioxane 1355.38
    methyl acetate 1081.99
    THF 1517.85
    2-butanone 1213.54
    n-pentanol 612.48
    sec-butanol 705.12
    n-hexane 42.44
    ethylene glycol 585.82
    NMP 1260.9
    cyclohexane 122.22
    DMSO 3114.34
    n-butyl acetate 935.21
    n-octanol 108.73
    chloroform 3631.87
    n-propyl acetate 650.56
    acetic acid 1862.51
    dichloromethane 4010.46
    cyclohexanone 1822.89
    propylene glycol 523.46
    isopropyl acetate 700.6
    DMAc 1139.04
    2-ethoxyethanol 921.44
    isopentanol 1012.3
    n-heptane 20.84
    ethyl formate 1009.84
    1,2-dichloroethane 3027.22
    n-hexanol 592.52
    2-methoxyethanol 2163.48
    isobutyl acetate 405.02
    tetrachloromethane 478.84
    n-pentyl acetate 295.06
    transcutol 2556.22
    n-heptanol 147.62
    ethylbenzene 170.22
    MIBK 523.13
    2-propoxyethanol 993.93
    tert-butanol 1047.2
    MTBE 773.05
    2-butoxyethanol 368.97
    propionic acid 1174.49
    o-xylene 219.68
    formic acid 1026.16
    diethyl ether 916.96
    m-xylene 278.46
    p-xylene 241.85
    chlorobenzene 1069.51
    dimethyl carbonate 352.27
    n-octane 8.29
    formamide 1502.92
    cyclopentanone 1699.29
    2-pentanone 1010.02
    anisole 450.6
    cyclopentyl methyl ether 790.39
    gamma-butyrolactone 1996.6
    1-methoxy-2-propanol 1143.72
    pyridine 1690.69
    3-pentanone 637.4
    furfural 1731.61
    n-dodecane 7.71
    diethylene glycol 908.8
    diisopropyl ether 181.59
    tert-amyl alcohol 662.29
    acetylacetone 1106.29
    n-hexadecane 9.22
    acetophenone 423.98
    methyl propionate 869.52
    isopentyl acetate 697.26
    trichloroethylene 5153.98
    n-nonanol 98.24
    cyclohexanol 881.13
    benzyl alcohol 520.95
    2-ethylhexanol 273.17
    isooctanol 123.4
    dipropyl ether 284.12
    1,2-dichlorobenzene 857.0
    ethyl lactate 252.55
    propylene carbonate 1055.76
    n-methylformamide 1644.14
    2-pentanol 546.87
    n-pentane 49.8
    1-propoxy-2-propanol 599.39
    1-methoxy-2-propyl acetate 640.17
    2-(2-methoxypropoxy) propanol 302.75
    mesitylene 162.25
    ε-caprolactone 1295.36
    p-cymene 103.33
    epichlorohydrin 2333.88
    1,1,1-trichloroethane 1982.62
    2-aminoethanol 1016.04
    morpholine-4-carbaldehyde 1165.83
    sulfolane 1999.8
    2,2,4-trimethylpentane 33.14
    2-methyltetrahydrofuran 1203.38
    n-hexyl acetate 334.51
    isooctane 27.05
    2-(2-butoxyethoxy)ethanol 460.42
    sec-butyl acetate 378.19
    tert-butyl acetate 619.41
    decalin 50.03
    glycerin 693.17
    diglyme 926.44
    acrylic acid 1107.04
    isopropyl myristate 108.35
    n-butyric acid 1800.6
    acetyl acetate 706.13
    di(2-ethylhexyl) phthalate 133.99
    ethyl propionate 493.87
    nitromethane 2665.63
    1,2-diethoxyethane 737.47
    benzonitrile 733.21
    trioctyl phosphate 84.34
    1-bromopropane 1133.34
    gamma-valerolactone 1995.16
    n-decanol 75.08
    triethyl phosphate 157.0
    4-methyl-2-pentanol 271.22
    propionitrile 1070.21
    vinylene carbonate 1041.58
    1,1,2-trichlorotrifluoroethane 1691.39
    DMS 374.7
    cumene 118.79
    2-octanol 88.57
    2-hexanone 600.08
    octyl acetate 137.82
    limonene 174.46
    1,2-dimethoxyethane 1336.68
    ethyl orthosilicate 160.69
    tributyl phosphate 133.97
    diacetone alcohol 608.69
    N,N-dimethylaniline 252.83
    acrylonitrile 1523.13
    aniline 886.59
    1,3-propanediol 1254.95
    bromobenzene 1050.44
    dibromomethane 2309.24
    1,1,2,2-tetrachloroethane 3341.57
    2-methyl-cyclohexyl acetate 267.3
    tetrabutyl urea 168.67
    diisobutyl methanol 141.89
    2-phenylethanol 470.7
    styrene 289.67
    dioctyl adipate 172.85
    dimethyl sulfate 500.19
    ethyl butyrate 431.59
    methyl lactate 397.17
    butyl lactate 262.11
    diethyl carbonate 284.86
    propanediol butyl ether 325.43
    triethyl orthoformate 248.76
    p-tert-butyltoluene 96.04
    methyl 4-tert-butylbenzoate 227.28
    morpholine 1777.3
    tert-butylamine 633.4
    n-dodecanol 58.89
    dimethoxymethane 1047.81
    ethylene carbonate 904.67
    cyrene 318.43
    2-ethoxyethyl acetate 494.71
    2-ethylhexyl acetate 481.58
    1,2,4-trichlorobenzene 917.74
    4-methylpyridine 1467.88
    dibutyl ether 191.49
    2,6-dimethyl-4-heptanol 141.89
    DEF 1141.35
    dimethyl isosorbide 526.61
    tetrachloroethylene 2334.26
    eugenol 280.7
    triacetin 287.94
    span 80 250.25
    1,4-butanediol 428.28
    1,1-dichloroethane 2490.34
    2-methyl-1-pentanol 532.44
    methyl formate 1155.8
    2-methyl-1-butanol 856.78
    n-decane 11.79
    butyronitrile 1176.6
    3,7-dimethyl-1-octanol 160.8
    1-chlorooctane 87.8
    1-chlorotetradecane 36.23
    n-nonane 10.93
    undecane 9.17
    tert-butylcyclohexane 41.62
    cyclooctane 27.53
    cyclopentanol 744.19
    tetrahydropyran 1431.05
    tert-amyl methyl ether 421.75
    2,5,8-trioxanonane 542.99
    1-hexene 252.5
    2-isopropoxyethanol 517.56
    2,2,2-trifluoroethanol 671.27
    methyl butyrate 816.98

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%