Reserpic acid hydrochloride

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  • Identifiers

    CAS number
    1910-70-9

    Molecular formula
    C22H29ClN2O5

    SMILES
    CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)O)NC5=C4C=CC(=C5)OC)O.Cl

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  • Odor profile

    Fragrance
    Odorless 75.71%
    Savory 21.95%
    Vanilla 21.59%
    Cooling 21.14%
    Milky 19.3%
    Animal 18.81%
    Bitter 17.35%
    Roasted 17.19%
    Sweet 16.87%
    Nutty 16.1%

     

    Flavor
    Bitter 89.45%
    Odorless 28.07%
    Bland 26.42%
    Sweet-like 23.42%
    Cedarleaf 20.5%
    Cereal 18.84%
    Alkaline 18.8%
    Lovage 18.7%
    Nitrile 18.63%
    Parsley 18.5%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    6.63 (neutral)

    Molecular weight
    436.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1086°C

    Flash point

    • 290.52 ˚C est.

  • Synonyms

    • Reserpic acid hydrochloride
    • 1910-70-9
    • Reserpic acid, monohydrochloride
    • Reserpinic acid hydrochloride
    • UNII-YK1DUA2LXK
    • YK1DUA2LXK
    • NSC-118178
    • (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid;hydrochloride
    • Yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, hydrochloride (1:1), (3beta,16beta,17alpha,18beta,20alpha)-
    • MLS002154083
    • RESERPIC ACID HCL(RG)
    • orb1985363
    • CHEMBL1710474
    • HMS1571E09
    • AKOS040753730
    • SMR001233392
    • Q27294551
    • Reserpic acid monohydrochloride; (3ss,16ss,17a,18ss,20a)-18-Hydroxy-11,17-dimethoxy-yohimban-16-carboxylic acid hydrochloride
    • YOHIMBAN-16-CARBOXYLIC ACID, 18-HYDROXY-11,17-DIMETHOXY-, HYDROCHLORIDE (1:1), (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-
    • 1910-70-9

  • Applications

    Reserpic acid hydrochloride, CAS number 1910-70-9, is primarily used in pharmaceutical research and medicinal chemistry as an intermediate for the synthesis of related alkaloids. In analytical chemistry, it serves as a reference standard or calibration material for LC/GC methods used to quantify alkaloids in samples. In pharmacology research, it is employed in studies aimed at understanding the mechanisms of action of alkaloids and as a building block for derivatives of the alkaloid class. It can also serve as an intermediate for the preparation of related alkaloid compounds in laboratory-scale production or contract research projects.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.5
    methanol 3.96
    isopropanol 0.94
    water 0.09
    ethyl acetate 1.06
    n-propanol 1.21
    acetone 2.52
    n-butanol 1.31
    acetonitrile 0.44
    DMF 8.34
    toluene 0.19
    isobutanol 0.85
    1,4-dioxane 2.28
    methyl acetate 1.03
    THF 4.17
    2-butanone 2.05
    n-pentanol 0.82
    sec-butanol 0.52
    n-hexane 0.01
    ethylene glycol 1.81
    NMP 5.38
    cyclohexane 0.02
    DMSO 20.55
    n-butyl acetate 1.11
    n-octanol 0.6
    chloroform 2.32
    n-propyl acetate 0.9
    acetic acid 10.68
    dichloromethane 1.62
    cyclohexanone 4.23
    propylene glycol 0.76
    isopropyl acetate 0.87
    DMAc 15.79
    2-ethoxyethanol 7.36
    isopentanol 1.4
    n-heptane 0.02
    ethyl formate 1.81
    1,2-dichloroethane 1.15
    n-hexanol 0.84
    2-methoxyethanol 13.86
    isobutyl acetate 0.69
    tetrachloromethane 0.54
    n-pentyl acetate 1.84
    transcutol 11.34
    n-heptanol 1.08
    ethylbenzene 0.11
    MIBK 1.47
    2-propoxyethanol 7.78
    tert-butanol 0.79
    MTBE 0.25
    2-butoxyethanol 6.68
    propionic acid 1.78
    o-xylene 0.17
    formic acid 13.85
    diethyl ether 0.4
    m-xylene 0.2
    p-xylene 0.19
    chlorobenzene 0.32
    dimethyl carbonate 1.6
    n-octane 0.02
    formamide 12.77
    cyclopentanone 4.6
    2-pentanone 1.94
    anisole 0.36
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 4.99
    1-methoxy-2-propanol 6.21
    pyridine 1.51
    3-pentanone 1.09
    furfural 6.74
    n-dodecane 0.02
    diethylene glycol 11.32
    diisopropyl ether 0.14
    tert-amyl alcohol 0.57
    acetylacetone 3.25
    n-hexadecane 0.02
    acetophenone 1.05
    methyl propionate 1.27
    isopentyl acetate 1.49
    trichloroethylene 3.12
    n-nonanol 0.73
    cyclohexanol 0.62
    benzyl alcohol 1.07
    2-ethylhexanol 0.45
    isooctanol 0.9
    dipropyl ether 0.34
    1,2-dichlorobenzene 0.4
    ethyl lactate 1.53
    propylene carbonate 2.39
    n-methylformamide 5.42
    2-pentanol 0.48
    n-pentane 0.02
    1-propoxy-2-propanol 3.31
    1-methoxy-2-propyl acetate 2.54
    2-(2-methoxypropoxy) propanol 4.56
    mesitylene 0.14
    ε-caprolactone 3.22
    p-cymene 0.18
    epichlorohydrin 5.85
    1,1,1-trichloroethane 0.86
    2-aminoethanol 2.12
    morpholine-4-carbaldehyde 9.79
    sulfolane 8.73
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.99
    n-hexyl acetate 1.49
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.6
    sec-butyl acetate 0.53
    tert-butyl acetate 0.96
    decalin 0.02
    glycerin 4.68
    diglyme 11.19
    acrylic acid 2.64
    isopropyl myristate 0.48
    n-butyric acid 3.26
    acetyl acetate 1.15
    di(2-ethylhexyl) phthalate 1.33
    ethyl propionate 0.72
    nitromethane 12.28
    1,2-diethoxyethane 1.43
    benzonitrile 0.81
    trioctyl phosphate 0.93
    1-bromopropane 0.37
    gamma-valerolactone 13.88
    n-decanol 0.46
    triethyl phosphate 0.92
    4-methyl-2-pentanol 0.49
    propionitrile 0.56
    vinylene carbonate 2.87
    1,1,2-trichlorotrifluoroethane 13.77
    DMS 1.34
    cumene 0.11
    2-octanol 0.49
    2-hexanone 1.29
    octyl acetate 0.83
    limonene 0.19
    1,2-dimethoxyethane 6.4
    ethyl orthosilicate 0.84
    tributyl phosphate 0.91
    diacetone alcohol 3.24
    N,N-dimethylaniline 0.36
    acrylonitrile 1.09
    aniline 0.58
    1,3-propanediol 6.25
    bromobenzene 0.24
    dibromomethane 0.85
    1,1,2,2-tetrachloroethane 2.57
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 1.53
    diisobutyl methanol 0.3
    2-phenylethanol 1.44
    styrene 0.1
    dioctyl adipate 1.05
    dimethyl sulfate 3.79
    ethyl butyrate 0.84
    methyl lactate 2.69
    butyl lactate 2.73
    diethyl carbonate 0.67
    propanediol butyl ether 3.77
    triethyl orthoformate 0.96
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 2.45
    morpholine 2.8
    tert-butylamine 0.19
    n-dodecanol 0.28
    dimethoxymethane 5.52
    ethylene carbonate 2.38
    cyrene 5.29
    2-ethoxyethyl acetate 3.59
    2-ethylhexyl acetate 0.99
    1,2,4-trichlorobenzene 0.67
    4-methylpyridine 1.09
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.3
    DEF 2.47
    dimethyl isosorbide 6.12
    tetrachloroethylene 2.49
    eugenol 3.83
    triacetin 2.24
    span 80 2.96
    1,4-butanediol 1.9
    1,1-dichloroethane 0.71
    2-methyl-1-pentanol 0.89
    methyl formate 4.21
    2-methyl-1-butanol 0.96
    n-decane 0.03
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.16
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.79
    tetrahydropyran 0.85
    tert-amyl methyl ether 0.29
    2,5,8-trioxanonane 7.79
    1-hexene 0.06
    2-isopropoxyethanol 3.4
    2,2,2-trifluoroethanol 6.16
    methyl butyrate 1.21

    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