5-Methylpyrrolidin-3-ol

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  • Identifiers

    CAS number
    94134-94-8

    Molecular formula
    C5H11NO

    SMILES
    CC1CC(CN1)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.65%
    Fishy 48.06%
    Nutty 37.38%
    Roasted 29.29%
    Popcorn 28.34%
    Sweet 24.6%
    Meaty 23.27%
    Burnt 21.29%
    Caramellic 21.03%
    Animal 20.83%

     

    Flavor
    Sweet 41.5%
    Bitter 38.57%
    Odorless 31.25%
    Sweet-like 23.51%
    Alkaline 23.51%
    Cauliflower 22.96%
    Mentholic 21.87%
    Roasted 21.6%
    Minty 20.8%
    Bouillon 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.26 (neutral)

    Molecular weight
    101.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    182°C

    Flash point

    • 82.19 ˚C est.

  • Synonyms

    • 5-methylpyrrolidin-3-ol
    • 94134-94-8
    • 2-methyl-4-hydroxypyrrolidine
    • 3-Pyrrolidinol, 5-methyl-
    • 2H59UFW3JO
    • 3-hydroxy-5-methylpyrrolidine
    • UNII-2H59UFW3JO
    • EINECS 310-142-8
    • MFCD19665354
    • TIAZAMINA
    • 5-Methyl-3-pyrrolidinol
    • SCHEMBL820083
    • trans-5-methylpyrrolidin-3-ol
    • SCHEMBL1282791
    • SCHEMBL5868662
    • DTXSID70916346
    • AKOS013475977
    • SB45690
    • SB47386
    • DB-155517
    • CS-0222526
    • NS00066529
    • EN300-111494
    • Q27254737
    • F8889-6343
    • Z1201051000
    • 94134-94-8

  • Applications

    5-Methylpyrrolidin-3-ol (CAS 94134-94-8) is a pyrrolidine-derived amino alcohol that serves primarily as an intermediate in pharmaceutical synthesis; it can function as a chiral building block or ligand for asymmetric synthesis; it is a precursor to heterocyclic compounds and other specialty chemicals; it is evaluated for applications in pharmaceutical and agrochemical development and in research settings for materials and synthetic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 353.22
    methanol 746.12
    isopropanol 120.14
    water 1085.42
    ethyl acetate 50.25
    n-propanol 180.64
    acetone 69.76
    n-butanol 121.38
    acetonitrile 61.4
    DMF 129.72
    toluene 4.74
    isobutanol 95.23
    1,4-dioxane 72.64
    methyl acetate 40.38
    THF 166.14
    2-butanone 39.47
    n-pentanol 56.74
    sec-butanol 79.85
    n-hexane 1.76
    ethylene glycol 388.45
    NMP 231.78
    cyclohexane 2.64
    DMSO 191.27
    n-butyl acetate 50.71
    n-octanol 33.19
    chloroform 60.96
    n-propyl acetate 24.71
    acetic acid 1233.75
    dichloromethane 39.88
    cyclohexanone 86.07
    propylene glycol 287.05
    isopropyl acetate 28.94
    DMAc 124.49
    2-ethoxyethanol 165.23
    isopentanol 70.42
    n-heptane 4.3
    ethyl formate 74.25
    1,2-dichloroethane 17.64
    n-hexanol 100.92
    2-methoxyethanol 368.67
    isobutyl acetate 16.54
    tetrachloromethane 21.1
    n-pentyl acetate 28.42
    transcutol 268.9
    n-heptanol 55.7
    ethylbenzene 2.03
    MIBK 22.28
    2-propoxyethanol 223.03
    tert-butanol 84.32
    MTBE 17.9
    2-butoxyethanol 121.27
    propionic acid 325.97
    o-xylene 5.61
    formic acid 1789.82
    diethyl ether 19.36
    m-xylene 7.14
    p-xylene 3.67
    chlorobenzene 12.93
    dimethyl carbonate 15.62
    n-octane 1.6
    formamide 832.95
    cyclopentanone 138.87
    2-pentanone 36.02
    anisole 10.07
    cyclopentyl methyl ether 51.03
    gamma-butyrolactone 222.73
    1-methoxy-2-propanol 172.04
    pyridine 44.86
    3-pentanone 22.38
    furfural 188.94
    n-dodecane 1.17
    diethylene glycol 290.02
    diisopropyl ether 6.96
    tert-amyl alcohol 66.64
    acetylacetone 44.85
    n-hexadecane 1.2
    acetophenone 16.43
    methyl propionate 41.52
    isopentyl acetate 38.15
    trichloroethylene 48.97
    n-nonanol 27.8
    cyclohexanol 71.36
    benzyl alcohol 29.6
    2-ethylhexanol 36.67
    isooctanol 35.59
    dipropyl ether 21.6
    1,2-dichlorobenzene 13.7
    ethyl lactate 33.39
    propylene carbonate 101.98
    n-methylformamide 262.66
    2-pentanol 49.08
    n-pentane 2.59
    1-propoxy-2-propanol 139.19
    1-methoxy-2-propyl acetate 54.37
    2-(2-methoxypropoxy) propanol 67.41
    mesitylene 5.18
    ε-caprolactone 94.62
    p-cymene 6.91
    epichlorohydrin 96.46
    1,1,1-trichloroethane 20.36
    2-aminoethanol 481.04
    morpholine-4-carbaldehyde 184.31
    sulfolane 188.09
    2,2,4-trimethylpentane 1.97
    2-methyltetrahydrofuran 86.34
    n-hexyl acetate 33.28
    isooctane 1.62
    2-(2-butoxyethoxy)ethanol 104.33
    sec-butyl acetate 13.92
    tert-butyl acetate 26.68
    decalin 1.41
    glycerin 478.47
    diglyme 142.91
    acrylic acid 351.82
    isopropyl myristate 9.96
    n-butyric acid 307.75
    acetyl acetate 40.56
    di(2-ethylhexyl) phthalate 21.8
    ethyl propionate 17.09
    nitromethane 419.89
    1,2-diethoxyethane 32.5
    benzonitrile 25.96
    trioctyl phosphate 16.8
    1-bromopropane 8.89
    gamma-valerolactone 211.77
    n-decanol 18.61
    triethyl phosphate 15.19
    4-methyl-2-pentanol 26.35
    propionitrile 37.46
    vinylene carbonate 84.59
    1,1,2-trichlorotrifluoroethane 217.09
    DMS 20.28
    cumene 2.86
    2-octanol 23.28
    2-hexanone 18.76
    octyl acetate 17.91
    limonene 10.39
    1,2-dimethoxyethane 68.23
    ethyl orthosilicate 15.08
    tributyl phosphate 18.45
    diacetone alcohol 63.16
    N,N-dimethylaniline 8.82
    acrylonitrile 56.43
    aniline 35.52
    1,3-propanediol 384.31
    bromobenzene 8.22
    dibromomethane 21.39
    1,1,2,2-tetrachloroethane 40.31
    2-methyl-cyclohexyl acetate 22.78
    tetrabutyl urea 23.03
    diisobutyl methanol 15.7
    2-phenylethanol 43.55
    styrene 2.42
    dioctyl adipate 18.12
    dimethyl sulfate 33.66
    ethyl butyrate 27.65
    methyl lactate 69.42
    butyl lactate 42.99
    diethyl carbonate 15.77
    propanediol butyl ether 100.36
    triethyl orthoformate 22.34
    p-tert-butyltoluene 6.88
    methyl 4-tert-butylbenzoate 34.93
    morpholine 125.2
    tert-butylamine 34.17
    n-dodecanol 12.83
    dimethoxymethane 45.8
    ethylene carbonate 66.62
    cyrene 62.29
    2-ethoxyethyl acetate 41.09
    2-ethylhexyl acetate 25.82
    1,2,4-trichlorobenzene 18.32
    4-methylpyridine 30.04
    dibutyl ether 11.47
    2,6-dimethyl-4-heptanol 15.7
    DEF 52.21
    dimethyl isosorbide 84.66
    tetrachloroethylene 47.49
    eugenol 49.38
    triacetin 38.06
    span 80 78.06
    1,4-butanediol 154.63
    1,1-dichloroethane 17.13
    2-methyl-1-pentanol 35.68
    methyl formate 120.39
    2-methyl-1-butanol 73.7
    n-decane 2.04
    butyronitrile 40.69
    3,7-dimethyl-1-octanol 26.35
    1-chlorooctane 6.74
    1-chlorotetradecane 2.63
    n-nonane 1.93
    undecane 1.48
    tert-butylcyclohexane 1.62
    cyclooctane 1.33
    cyclopentanol 136.6
    tetrahydropyran 47.02
    tert-amyl methyl ether 16.28
    2,5,8-trioxanonane 106.48
    1-hexene 4.49
    2-isopropoxyethanol 82.21
    2,2,2-trifluoroethanol 469.41
    methyl butyrate 25.9

    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