Stachydrine chloride

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  • Identifiers

    CAS number
    4136-37-2

    Molecular formula
    C7H14ClNO2

    SMILES
    C[N+]1(CCC[C@H]1C(=O)O)C.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Mint 40.94%
    Herbal 39.44%
    Fruity 38.07%
    Cooling 28.81%
    Sweet 25.27%
    Animal 25.15%
    Odorless 24.74%
    Sour 24.35%
    Tobacco 23.98%
    Camphoreous 23.27%

     

    Flavor
    Odorless 30.17%
    Bitter 28.01%
    Fruity 22.51%
    Mild 22.33%
    Stinky 20.13%
    Ripe apricot 19.97%
    Bouillon 19.91%
    Leaves 19.81%
    Red fruit 19.76%
    Clary 19.69%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.28 (neutral)

    Molecular weight
    179.64 g/mol

    Flash point

    • -76.27 ˚C est.

  • Synonyms

    • 4136-37-2
    • Stachydrine HCl
    • (S)-2-Carboxy-1,1-dimethylpyrrolidin-1-ium chloride
    • stachydrine chloride
    • UNII-19Z024IC5E
    • Pyrrolidinium, 2-carboxy-1,1-dimethyl-, chloride, (S)-
    • Pyrrolidinium, 2-carboxy-1,1-dimethyl-, chloride (1:1), (2S)-; Pyrrolidinium, 2-carboxy-1,1-dimethyl-, chloride, (2S)- (9CI); Pyrrolidinium, 2-carboxy-1,1-dimethyl-, chloride, (S)-; Stachydrine, chloride (6CI,7CI); Stachydrine, hydrochloride (8CI); Cadabine hydrochloride
    • (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid;chloride
    • orb1304382
    • SCHEMBL15819856
    • HY-N0738R
    • MSK156904A
    • HY-N0738
    • Stachydrine hydrochloride (Standard)
    • AKOS022175644
    • CCG-266423
    • CS-W020707
    • DS-6565
    • FS14831
    • NS00083098
    • Q3967706
    • (2R,4R)-4-Hydroxy-1,1-dimethyl-2-pyrrolidiniumcarboxylate hydrochloride
    • 4136-37-2

  • Applications

    Stachydrine chloride (CAS 4136-37-2) is primarily used as a chemical reagent and intermediate in organic synthesis, where it can serve as a chiral building block for proline-containing or other nitrogenous compounds. In pharmaceutical and medicinal chemistry research, it is commonly evaluated as a salt form and small-molecule reagent for SAR studies and formulation exploration. In cosmetic and personal-care research, the chloride salt may be considered as a formulation component or counterion in proprietary blends, within regulatory constraints. In coatings, inks and polymer formulations, it can act as a functional salt additive that influences processing, stability or ionic properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.05
    methanol 368.63
    isopropanol 19.47
    water 486.04
    ethyl acetate 9.03
    n-propanol 43.48
    acetone 3.4
    n-butanol 21.65
    acetonitrile 8.83
    DMF 9.37
    toluene 1.09
    isobutanol 16.71
    1,4-dioxane 22.07
    methyl acetate 9.45
    THF 23.4
    2-butanone 3.81
    n-pentanol 6.95
    sec-butanol 15.76
    n-hexane 0.3
    ethylene glycol 242.85
    NMP 68.9
    cyclohexane 0.5
    DMSO 31.99
    n-butyl acetate 10.28
    n-octanol 8.29
    chloroform 31.55
    n-propyl acetate 3.92
    acetic acid 491.68
    dichloromethane 28.6
    cyclohexanone 14.48
    propylene glycol 108.1
    isopropyl acetate 4.69
    DMAc 16.98
    2-ethoxyethanol 38.68
    isopentanol 9.97
    n-heptane 0.6
    ethyl formate 18.3
    1,2-dichloroethane 10.12
    n-hexanol 20.68
    2-methoxyethanol 138.72
    isobutyl acetate 2.85
    tetrachloromethane 8.4
    n-pentyl acetate 7.33
    transcutol 85.2
    n-heptanol 14.98
    ethylbenzene 0.9
    MIBK 3.04
    2-propoxyethanol 63.11
    tert-butanol 13.35
    MTBE 1.97
    2-butoxyethanol 38.8
    propionic acid 105.55
    o-xylene 2.08
    formic acid 1227.98
    diethyl ether 2.62
    m-xylene 2.2
    p-xylene 1.52
    chlorobenzene 4.88
    dimethyl carbonate 4.76
    n-octane 0.32
    formamide 600.51
    cyclopentanone 17.95
    2-pentanone 3.03
    anisole 2.87
    cyclopentyl methyl ether 7.18
    gamma-butyrolactone 65.46
    1-methoxy-2-propanol 42.92
    pyridine 12.39
    3-pentanone 2.64
    furfural 75.13
    n-dodecane 0.26
    diethylene glycol 118.51
    diisopropyl ether 1.01
    tert-amyl alcohol 13.69
    acetylacetone 7.42
    n-hexadecane 0.28
    acetophenone 6.42
    methyl propionate 8.2
    isopentyl acetate 8.94
    trichloroethylene 29.6
    n-nonanol 7.59
    cyclohexanol 14.54
    benzyl alcohol 8.89
    2-ethylhexanol 8.56
    isooctanol 10.49
    dipropyl ether 2.99
    1,2-dichlorobenzene 8.58
    ethyl lactate 12.2
    propylene carbonate 37.41
    n-methylformamide 65.53
    2-pentanol 7.04
    n-pentane 0.39
    1-propoxy-2-propanol 30.84
    1-methoxy-2-propyl acetate 16.88
    2-(2-methoxypropoxy) propanol 28.33
    mesitylene 1.95
    ε-caprolactone 31.06
    p-cymene 3.29
    epichlorohydrin 32.42
    1,1,1-trichloroethane 8.31
    2-aminoethanol 245.34
    morpholine-4-carbaldehyde 57.7
    sulfolane 81.79
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 13.5
    n-hexyl acetate 9.36
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 36.05
    sec-butyl acetate 2.61
    tert-butyl acetate 5.8
    decalin 0.39
    glycerin 231.48
    diglyme 46.91
    acrylic acid 140.81
    isopropyl myristate 3.42
    n-butyric acid 68.58
    acetyl acetate 10.18
    di(2-ethylhexyl) phthalate 11.1
    ethyl propionate 3.8
    nitromethane 134.49
    1,2-diethoxyethane 5.47
    benzonitrile 7.77
    trioctyl phosphate 7.75
    1-bromopropane 3.12
    gamma-valerolactone 53.47
    n-decanol 5.19
    triethyl phosphate 6.51
    4-methyl-2-pentanol 4.79
    propionitrile 5.98
    vinylene carbonate 38.34
    1,1,2-trichlorotrifluoroethane 118.42
    DMS 11.52
    cumene 1.38
    2-octanol 6.39
    2-hexanone 1.94
    octyl acetate 5.62
    limonene 3.69
    1,2-dimethoxyethane 13.2
    ethyl orthosilicate 5.96
    tributyl phosphate 7.61
    diacetone alcohol 16.49
    N,N-dimethylaniline 3.05
    acrylonitrile 12.47
    aniline 7.68
    1,3-propanediol 160.93
    bromobenzene 3.68
    dibromomethane 13.42
    1,1,2,2-tetrachloroethane 24.56
    2-methyl-cyclohexyl acetate 9.58
    tetrabutyl urea 9.03
    diisobutyl methanol 4.72
    2-phenylethanol 17.7
    styrene 0.85
    dioctyl adipate 6.86
    dimethyl sulfate 14.97
    ethyl butyrate 5.92
    methyl lactate 22.8
    butyl lactate 16.58
    diethyl carbonate 5.13
    propanediol butyl ether 34.68
    triethyl orthoformate 6.34
    p-tert-butyltoluene 3.34
    methyl 4-tert-butylbenzoate 19.67
    morpholine 34.16
    tert-butylamine 5.62
    n-dodecanol 3.53
    dimethoxymethane 9.12
    ethylene carbonate 24.82
    cyrene 34.7
    2-ethoxyethyl acetate 13.52
    2-ethylhexyl acetate 7.07
    1,2,4-trichlorobenzene 12.31
    4-methylpyridine 6.02
    dibutyl ether 1.82
    2,6-dimethyl-4-heptanol 4.72
    DEF 6.59
    dimethyl isosorbide 39.39
    tetrachloroethylene 29.63
    eugenol 25.61
    triacetin 15.88
    span 80 31.61
    1,4-butanediol 38.94
    1,1-dichloroethane 5.89
    2-methyl-1-pentanol 5.07
    methyl formate 40.81
    2-methyl-1-butanol 12.48
    n-decane 0.4
    butyronitrile 5.07
    3,7-dimethyl-1-octanol 7.03
    1-chlorooctane 2.11
    1-chlorotetradecane 0.84
    n-nonane 0.35
    undecane 0.31
    tert-butylcyclohexane 0.42
    cyclooctane 0.27
    cyclopentanol 25.28
    tetrahydropyran 7.24
    tert-amyl methyl ether 2.84
    2,5,8-trioxanonane 36.78
    1-hexene 0.77
    2-isopropoxyethanol 16.46
    2,2,2-trifluoroethanol 228.29
    methyl butyrate 4.87

    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