Quinine lactate

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  • Identifiers

    CAS number
    749-49-5

    Molecular formula
    C23H30N2O5

    SMILES
    CC(C(=O)O)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 55.23%
    Odorless 52.77%
    Buttery 50.78%
    Sour 47.31%
    Milky 36.46%
    Creamy 33.49%
    Sharp 31.52%
    Dairy 29.79%
    Burnt 26.46%
    Fatty 26.33%

     

    Flavor
    Odorless 71.28%
    Sour 49.41%
    Acidic 40.16%
    Very mild 29.72%
    Caramellic 27.93%
    Buttery 25.83%
    Sharp 24.46%
    Pungent 23.19%
    Rancid 23.09%
    Cheese 22.8%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.19 (neutral)

    Molecular weight
    414.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    210°C

    Flash point

    • 104.26 ˚C est.

  • Synonyms

    • Quinine lactate
    • 749-49-5
    • UNII-7J99Y4IZE5
    • 7J99Y4IZE5
    • CCRIS 5756
    • QUININE, MONOLACTATE (SALT)
    • DTXSID20225874
    • Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, mono(2-hydroxypropanoate) (salt)
    • RefChem:178208
    • DTXCID50148365
    • CINCHONAN-9-OL, 6'-METHOXY-, (8ALPHA,9R)-, MONO(2-HYDROXYPROPANOATE) (SALT)
    • PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH (8ALPHA,9R)-6'-METHOXYCINCHONAN-9-OL (1:1)
    • (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxypropanoic acid
    • SCHEMBL7037821
    • Q27268399
    • 2-Hydroxypropanoic acid--(1xi,9R)-6'-methoxy-3alpha,8alpha-cinchonan-9-ol (1/1)
    • 749-49-5

  • Applications

    Quinine lactate (CAS 749-49-5) is a salt of the cinchona alkaloid primarily used as a chiral reagent and catalyst in chemical synthesis. In industrial and pharmaceutical R&D, it is evaluated as a building block and source of chirality for asymmetric transformations, serving as a ligand or as a phase-transfer catalyst in enantioselective reactions. It may be used as an intermediate in the synthesis of cinchona-derived derivatives and other chiral auxiliaries used in drug development. The salt form can improve aqueous solubility and ease handling in laboratory and process development settings. It may also serve as a reference material in analytical workflows for alkaloids and other chiral compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.37
    methanol 50.53
    isopropanol 10.09
    water 685.05
    ethyl acetate 2.48
    n-propanol 11.62
    acetone 7.82
    n-butanol 11.67
    acetonitrile 4.31
    DMF 78.33
    toluene 0.67
    isobutanol 8.3
    1,4-dioxane 10.56
    methyl acetate 2.77
    THF 9.18
    2-butanone 3.79
    n-pentanol 5.75
    sec-butanol 9.62
    n-hexane 0.9
    ethylene glycol 82.06
    NMP 50.54
    cyclohexane 1.5
    DMSO 83.19
    n-butyl acetate 1.1
    n-octanol 3.03
    chloroform 1.15
    n-propyl acetate 1.28
    acetic acid 64.9
    dichloromethane 1.81
    cyclohexanone 5.53
    propylene glycol 43.75
    isopropyl acetate 1.94
    DMAc 45.1
    2-ethoxyethanol 26.59
    isopentanol 11.04
    n-heptane 1.05
    ethyl formate 7.68
    1,2-dichloroethane 1.9
    n-hexanol 3.92
    2-methoxyethanol 63.56
    isobutyl acetate 0.63
    tetrachloromethane 1.13
    n-pentyl acetate 1.89
    transcutol 33.31
    n-heptanol 4.36
    ethylbenzene 0.71
    MIBK 3.16
    2-propoxyethanol 12.08
    tert-butanol 17.27
    MTBE 4.42
    2-butoxyethanol 13.49
    propionic acid 13.23
    o-xylene 1.55
    formic acid 228.68
    diethyl ether 2.94
    m-xylene 0.97
    p-xylene 0.93
    chlorobenzene 0.44
    dimethyl carbonate 3.5
    n-octane 0.55
    formamide 169.74
    cyclopentanone 6.88
    2-pentanone 3.83
    anisole 1.88
    cyclopentyl methyl ether 4.17
    gamma-butyrolactone 8.95
    1-methoxy-2-propanol 28.0
    pyridine 3.17
    3-pentanone 2.46
    furfural 15.58
    n-dodecane 0.32
    diethylene glycol 35.44
    diisopropyl ether 1.4
    tert-amyl alcohol 16.17
    acetylacetone 5.81
    n-hexadecane 0.32
    acetophenone 2.41
    methyl propionate 2.95
    isopentyl acetate 1.21
    trichloroethylene 2.04
    n-nonanol 2.86
    cyclohexanol 7.73
    benzyl alcohol 4.03
    2-ethylhexanol 2.36
    isooctanol 3.66
    dipropyl ether 1.74
    1,2-dichlorobenzene 0.67
    ethyl lactate 3.59
    propylene carbonate 4.93
    n-methylformamide 41.31
    2-pentanol 6.58
    n-pentane 1.13
    1-propoxy-2-propanol 7.2
    1-methoxy-2-propyl acetate 2.63
    2-(2-methoxypropoxy) propanol 13.35
    mesitylene 1.1
    ε-caprolactone 6.26
    p-cymene 0.92
    epichlorohydrin 6.23
    1,1,1-trichloroethane 0.9
    2-aminoethanol 67.66
    morpholine-4-carbaldehyde 42.77
    sulfolane 24.58
    2,2,4-trimethylpentane 0.92
    2-methyltetrahydrofuran 6.24
    n-hexyl acetate 2.22
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 19.03
    sec-butyl acetate 0.96
    tert-butyl acetate 3.06
    decalin 0.6
    glycerin 105.38
    diglyme 26.96
    acrylic acid 19.28
    isopropyl myristate 1.12
    n-butyric acid 12.61
    acetyl acetate 2.31
    di(2-ethylhexyl) phthalate 2.67
    ethyl propionate 1.38
    nitromethane 37.4
    1,2-diethoxyethane 3.47
    benzonitrile 1.46
    trioctyl phosphate 2.11
    1-bromopropane 0.89
    gamma-valerolactone 18.56
    n-decanol 2.29
    triethyl phosphate 1.42
    4-methyl-2-pentanol 4.75
    propionitrile 2.13
    vinylene carbonate 4.31
    1,1,2-trichlorotrifluoroethane 17.29
    DMS 1.76
    cumene 0.89
    2-octanol 2.56
    2-hexanone 1.82
    octyl acetate 1.65
    limonene 1.35
    1,2-dimethoxyethane 18.94
    ethyl orthosilicate 1.58
    tributyl phosphate 1.87
    diacetone alcohol 12.71
    N,N-dimethylaniline 3.23
    acrylonitrile 3.46
    aniline 2.37
    1,3-propanediol 56.89
    bromobenzene 0.32
    dibromomethane 1.17
    1,1,2,2-tetrachloroethane 2.45
    2-methyl-cyclohexyl acetate 1.47
    tetrabutyl urea 3.7
    diisobutyl methanol 2.36
    2-phenylethanol 2.81
    styrene 0.64
    dioctyl adipate 2.01
    dimethyl sulfate 9.37
    ethyl butyrate 1.26
    methyl lactate 10.04
    butyl lactate 4.28
    diethyl carbonate 0.86
    propanediol butyl ether 17.2
    triethyl orthoformate 1.49
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 6.06
    morpholine 14.87
    tert-butylamine 7.66
    n-dodecanol 1.82
    dimethoxymethane 14.64
    ethylene carbonate 3.4
    cyrene 14.9
    2-ethoxyethyl acetate 3.08
    2-ethylhexyl acetate 0.85
    1,2,4-trichlorobenzene 0.85
    4-methylpyridine 2.7
    dibutyl ether 1.52
    2,6-dimethyl-4-heptanol 2.36
    DEF 13.23
    dimethyl isosorbide 11.67
    tetrachloroethylene 3.25
    eugenol 7.89
    triacetin 3.73
    span 80 10.8
    1,4-butanediol 23.23
    1,1-dichloroethane 0.86
    2-methyl-1-pentanol 6.33
    methyl formate 25.86
    2-methyl-1-butanol 10.73
    n-decane 0.47
    butyronitrile 2.89
    3,7-dimethyl-1-octanol 2.73
    1-chlorooctane 0.78
    1-chlorotetradecane 0.45
    n-nonane 0.5
    undecane 0.37
    tert-butylcyclohexane 0.5
    cyclooctane 0.92
    cyclopentanol 9.86
    tetrahydropyran 4.04
    tert-amyl methyl ether 5.04
    2,5,8-trioxanonane 24.75
    1-hexene 1.13
    2-isopropoxyethanol 11.68
    2,2,2-trifluoroethanol 35.69
    methyl butyrate 2.64

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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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