1-[(2R)-2-Methylbutyl]pyrrolidine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    667420-92-0

    Molecular formula
    C9H19N

    SMILES
    CC[C@@H](C)CN1CCCC1

  • Odor profile

    Fragrance
    Fishy 64.74%
    Cheesy 49.32%
    Roasted 38.12%
    Ripe 36.53%
    Oily 36.48%
    Animal 35.05%
    Nutty 27.45%
    Meaty 25.05%
    Metallic 24.09%
    Musty 23.13%

     

    Flavor
    Herbal 32.42%
    Green 25.49%
    Herb 22.59%
    Spice 22.26%
    Cedarleaf 21.33%
    Terpentine 21.16%
    Mentholic 20.99%
    Mild 20.96%
    Carrot 20.95%
    Tomato leaf 20.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.59 (weak base)

    Molecular weight
    141.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 39.54 ˚C est.

  • Synonyms

    • 1-[(2R)-2-Methylbutyl]pyrrolidine
    • 667420-92-0
    • DTXSID30666198
    • (R)-1-(2-Methylbutyl)pyrrolidine

  • Applications

    1-[(2R)-2-Methylbutyl]pyrrolidine is primarily used as a chiral amine building block in organic synthesis. In pharmaceutical and agrochemical development, it serves as an intermediate to access N-alkyl pyrrolidine motifs, supporting the preparation of active compounds and API precursors. It is also evaluated as a precursor for ligands and catalysts in asymmetric synthesis. As a flexible starting material for medicinal chemistry research and the construction of small-molecule libraries, it finds use in early-stage exploration of new chemistries. Additionally, it may be used as a fragrance intermediate or odorant precursor in fragrance-related research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1136.75
    methanol 702.94
    isopropanol 1067.17
    water 1.3
    ethyl acetate 890.69
    n-propanol 1122.89
    acetone 859.85
    n-butanol 1248.27
    acetonitrile 864.96
    DMF 486.13
    toluene 615.64
    isobutanol 992.59
    1,4-dioxane 1330.06
    methyl acetate 761.18
    THF 1920.45
    2-butanone 878.01
    n-pentanol 814.57
    sec-butanol 1063.9
    n-hexane 463.37
    ethylene glycol 190.93
    NMP 605.2
    cyclohexane 786.45
    DMSO 705.97
    n-butyl acetate 1740.64
    n-octanol 631.42
    chloroform 3505.34
    n-propyl acetate 666.78
    acetic acid 1028.71
    dichloromethane 2447.98
    cyclohexanone 1296.71
    propylene glycol 417.41
    isopropyl acetate 653.19
    DMAc 450.02
    2-ethoxyethanol 653.48
    isopentanol 1134.57
    n-heptane 759.55
    ethyl formate 661.56
    1,2-dichloroethane 1143.73
    n-hexanol 1841.11
    2-methoxyethanol 875.06
    isobutyl acetate 506.14
    tetrachloromethane 931.06
    n-pentyl acetate 648.27
    transcutol 1626.45
    n-heptanol 718.52
    ethylbenzene 321.25
    MIBK 535.74
    2-propoxyethanol 1376.91
    tert-butanol 1284.04
    MTBE 1132.8
    2-butoxyethanol 766.92
    propionic acid 885.85
    o-xylene 395.28
    formic acid 175.97
    diethyl ether 975.11
    m-xylene 422.19
    p-xylene 418.65
    chlorobenzene 846.42
    dimethyl carbonate 185.61
    n-octane 214.71
    formamide 167.79
    cyclopentanone 1181.25
    2-pentanone 757.26
    anisole 454.52
    cyclopentyl methyl ether 1031.78
    gamma-butyrolactone 1218.5
    1-methoxy-2-propanol 788.88
    pyridine 1116.69
    3-pentanone 574.81
    furfural 1055.71
    n-dodecane 136.07
    diethylene glycol 678.92
    diisopropyl ether 446.97
    tert-amyl alcohol 1024.38
    acetylacetone 615.02
    n-hexadecane 152.53
    acetophenone 407.65
    methyl propionate 538.33
    isopentyl acetate 1366.71
    trichloroethylene 1909.16
    n-nonanol 536.62
    cyclohexanol 1144.25
    benzyl alcohol 428.86
    2-ethylhexanol 1313.61
    isooctanol 581.45
    dipropyl ether 1319.1
    1,2-dichlorobenzene 727.83
    ethyl lactate 313.39
    propylene carbonate 985.55
    n-methylformamide 345.61
    2-pentanol 917.87
    n-pentane 486.29
    1-propoxy-2-propanol 1329.96
    1-methoxy-2-propyl acetate 830.71
    2-(2-methoxypropoxy) propanol 558.1
    mesitylene 301.89
    ε-caprolactone 1116.54
    p-cymene 473.25
    epichlorohydrin 1288.38
    1,1,1-trichloroethane 1609.49
    2-aminoethanol 440.53
    morpholine-4-carbaldehyde 702.43
    sulfolane 1121.39
    2,2,4-trimethylpentane 252.11
    2-methyltetrahydrofuran 1680.61
    n-hexyl acetate 814.53
    isooctane 207.27
    2-(2-butoxyethoxy)ethanol 745.7
    sec-butyl acetate 471.25
    tert-butyl acetate 645.86
    decalin 267.3
    glycerin 404.8
    diglyme 1199.6
    acrylic acid 630.75
    isopropyl myristate 387.2
    n-butyric acid 1470.49
    acetyl acetate 614.53
    di(2-ethylhexyl) phthalate 327.93
    ethyl propionate 501.68
    nitromethane 876.05
    1,2-diethoxyethane 931.34
    benzonitrile 733.76
    trioctyl phosphate 278.97
    1-bromopropane 1314.61
    gamma-valerolactone 1160.51
    n-decanol 403.36
    triethyl phosphate 382.34
    4-methyl-2-pentanol 564.95
    propionitrile 1039.64
    vinylene carbonate 825.29
    1,1,2-trichlorotrifluoroethane 999.89
    DMS 384.83
    cumene 266.44
    2-octanol 476.77
    2-hexanone 627.79
    octyl acetate 461.46
    limonene 820.67
    1,2-dimethoxyethane 973.95
    ethyl orthosilicate 404.35
    tributyl phosphate 346.13
    diacetone alcohol 577.48
    N,N-dimethylaniline 311.56
    acrylonitrile 829.66
    aniline 656.43
    1,3-propanediol 634.27
    bromobenzene 949.3
    dibromomethane 2007.37
    1,1,2,2-tetrachloroethane 1699.71
    2-methyl-cyclohexyl acetate 694.41
    tetrabutyl urea 357.23
    diisobutyl methanol 616.35
    2-phenylethanol 643.33
    styrene 384.41
    dioctyl adipate 465.57
    dimethyl sulfate 234.01
    ethyl butyrate 1015.54
    methyl lactate 300.2
    butyl lactate 498.09
    diethyl carbonate 592.09
    propanediol butyl ether 588.6
    triethyl orthoformate 735.82
    p-tert-butyltoluene 436.92
    methyl 4-tert-butylbenzoate 480.35
    morpholine 1394.52
    tert-butylamine 1068.79
    n-dodecanol 321.88
    dimethoxymethane 459.81
    ethylene carbonate 787.33
    cyrene 392.09
    2-ethoxyethyl acetate 608.01
    2-ethylhexyl acetate 1122.61
    1,2,4-trichlorobenzene 822.05
    4-methylpyridine 977.39
    dibutyl ether 887.04
    2,6-dimethyl-4-heptanol 616.35
    DEF 602.2
    dimethyl isosorbide 809.42
    tetrachloroethylene 1177.88
    eugenol 410.1
    triacetin 593.17
    span 80 644.27
    1,4-butanediol 311.18
    1,1-dichloroethane 1510.85
    2-methyl-1-pentanol 736.08
    methyl formate 305.25
    2-methyl-1-butanol 1005.16
    n-decane 232.8
    butyronitrile 1334.39
    3,7-dimethyl-1-octanol 689.31
    1-chlorooctane 550.86
    1-chlorotetradecane 236.43
    n-nonane 259.31
    undecane 171.1
    tert-butylcyclohexane 255.37
    cyclooctane 294.34
    cyclopentanol 1092.72
    tetrahydropyran 1784.87
    tert-amyl methyl ether 763.76
    2,5,8-trioxanonane 778.93
    1-hexene 855.98
    2-isopropoxyethanol 547.06
    2,2,2-trifluoroethanol 285.79
    methyl butyrate 688.26

    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