Reserpine

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  • Identifiers

    CAS number
    50-55-5

    Molecular formula
    C33H40N2O9

    SMILES
    CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 52.38%
    Vanilla 30.71%
    Sweet 27.65%
    Floral 24.39%
    Powdery 20.93%
    Fresh 20.83%
    Milky 20.1%
    Grape 18.71%
    Cooling 18.3%
    Fruity 17.42%

     

    Flavor
    Bitter 93.16%
    Bland 30.74%
    Odorless 23.39%
    Sweet-like 21.47%
    Cedarleaf 19.99%
    Parsley 19.37%
    Lovage 18.54%
    Heather 18.0%
    Ripe apricot 17.95%
    Broom 17.82%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.41 (neutral)

    Molecular weight
    608.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1108°C

    Melting point expt.

    • 507 to 509 °F (decomposes) (NTP, 1992)
    • 264.5 °C

    Flash point

    • 248.06 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • 73 mg/L (at 30 °C)
    • Freely sol in chloroform (approx. 1 g/6 ml), methylene chloride, glacial acetic acid; sol in benzene, ethyl acetate; slightly sol in acetone, methanol, alcohol (1 g/1800 ml), ether, and in aq solns of acetic and citric acids.
    • In water, 73 mg/l @ 30 °C
    • 1.13e-02 g/L

  • Synonyms

    • reserpine
    • 50-55-5
    • Serpalan
    • Apoplon
    • Serpasil
    • Alserin
    • Hypersil
    • Sandril
    • Deserpine
    • Elserpine
    • Hiserpia
    • Rau-Sed
    • Rausedyl
    • Rauwasedin
    • Reserpin
    • Reserpina
    • Serpanray
    • Serpivite
    • Resine
    • Rivasin
    • Serpate
    • Ascoserpina
    • Austrapine
    • Bioserpine
    • Carditivo
    • Carrserp
    • Enipresser
    • Escaspere
    • Eserpine
    • Eskaserp
    • Eskaserpine
    • Helfoserpin
    • Hiposerpil
    • Hypersine
    • Idsoserp
    • Interpina
    • Lemiserp
    • Loweserp
    • Maviserpin
    • Mayserpine
    • Mephaserpin
    • Neoserfin
    • Purserpine
    • Quiescin
    • Raudiford
    • Raudixoid
    • Rauloydin
    • Raumorine
    • Raunervil
    • Raunorine
    • Raupasil
    • Rausedan
    • Rausedil
    • Rauserpine
    • Rauserpol
    • Rausingle
    • Rauwilid
    • Rauwipur
    • Rauwoleaf
    • Resedrex
    • Reserbal
    • Resercaps
    • Resercen
    • Reserfia
    • Reserjen
    • Reserlor
    • Reserpal
    • Reserpamed
    • Reserpanca
    • Reserpene
    • Reserpex
    • Reserpil
    • Reserpoid
    • Respital
    • Roxinoid
    • Alkarau
    • Apsical
    • Banasil
    • Benazyl
    • Kitine
    • Neoserp
    • Raucap
    • Raugal
    • Raulen
    • Raupoid
    • Raurine
    • Rausan
    • Rautrin
    • Rauvlid
    • Rawilid
    • Reserp
    • Restran
    • Riserpa
    • (-)-Reserpine
    • Key-serpine
    • Crystoserpine
    • Klimanosid
    • Mallopress
    • Reserpidefe
    • Reserpinum
    • 3P Reserp
    • Carpacil
    • Gilucard
    • Hydropine
    • Hydroserp
    • Rauwita
    • Recipin
    • Resaltex
    • Resedril
    • Serpine
    • Neo-antitensol
    • Rauserpin-Alk
    • Hydromox-R
    • Rese-lar
    • Reser-ar
    • Diurese-R
    • Hydrosine 25
    • Hydroserpalan
    • Temposerpine
    • Eberpine
    • Reserpur
    • Residine
    • Resocalm
    • Rezerpin
    • Sedaraupin
    • Sedaraupina
    • Serfolia
    • Serolfia

  • Applications

    Reserpine (CAS 50-55-5) is an indole alkaloid primarily sourced from Rauwolfia species and is used in pharmaceutical chemistry as an intermediate for the synthesis of related indole alkaloids; it is also employed as a reference standard and analytical reagent in method development and quality control (e.g., HPLC). It serves as a research chemical in pharmacology to explore the effects and mechanisms of indole alkaloids, and in natural product chemistry as a starting point or semi-synthetic precursor for related compounds. Its applications are mainly within pharmaceuticals, analytical chemistry, and natural product research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.37
    isopropanol 0.14
    water 0.02
    ethyl acetate 2.15
    n-propanol 0.21
    acetone 1.43
    n-butanol 0.23
    acetonitrile 0.67
    DMF 3.7
    toluene 0.39
    isobutanol 0.2
    1,4-dioxane 1.93
    methyl acetate 2.29
    THF 1.94
    2-butanone 1.85
    n-pentanol 0.26
    sec-butanol 0.2
    n-hexane 0.01
    ethylene glycol 0.39
    NMP 9.19
    cyclohexane 0.03
    DMSO 4.39
    n-butyl acetate 0.93
    n-octanol 0.3
    chloroform 9.58
    n-propyl acetate 1.17
    acetic acid 4.66
    dichloromethane 6.57
    cyclohexanone 3.64
    propylene glycol 0.18
    isopropyl acetate 1.35
    DMAc 10.7
    2-ethoxyethanol 1.31
    isopentanol 0.29
    n-heptane 0.02
    ethyl formate 1.63
    1,2-dichloroethane 2.43
    n-hexanol 0.19
    2-methoxyethanol 1.39
    isobutyl acetate 0.73
    tetrachloromethane 1.26
    n-pentyl acetate 1.6
    transcutol 2.41
    n-heptanol 0.36
    ethylbenzene 0.18
    MIBK 0.9
    2-propoxyethanol 1.59
    tert-butanol 0.24
    MTBE 0.33
    2-butoxyethanol 1.59
    propionic acid 1.67
    o-xylene 0.31
    formic acid 2.45
    diethyl ether 0.37
    m-xylene 0.27
    p-xylene 0.29
    chlorobenzene 1.02
    dimethyl carbonate 3.14
    n-octane 0.02
    formamide 2.29
    cyclopentanone 4.25
    2-pentanone 1.45
    anisole 0.53
    cyclopentyl methyl ether 0.75
    gamma-butyrolactone 6.47
    1-methoxy-2-propanol 0.99
    pyridine 2.02
    3-pentanone 1.68
    furfural 6.62
    n-dodecane 0.02
    diethylene glycol 1.75
    diisopropyl ether 0.14
    tert-amyl alcohol 0.3
    acetylacetone 3.71
    n-hexadecane 0.02
    acetophenone 1.38
    methyl propionate 2.27
    isopentyl acetate 0.94
    trichloroethylene 10.11
    n-nonanol 0.36
    cyclohexanol 0.36
    benzyl alcohol 0.81
    2-ethylhexanol 0.21
    isooctanol 0.35
    dipropyl ether 0.31
    1,2-dichlorobenzene 1.37
    ethyl lactate 1.07
    propylene carbonate 3.5
    n-methylformamide 1.92
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 0.94
    1-methoxy-2-propyl acetate 1.9
    2-(2-methoxypropoxy) propanol 1.67
    mesitylene 0.15
    ε-caprolactone 3.83
    p-cymene 0.18
    epichlorohydrin 5.22
    1,1,1-trichloroethane 2.63
    2-aminoethanol 0.31
    morpholine-4-carbaldehyde 6.62
    sulfolane 9.87
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 1.25
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.69
    sec-butyl acetate 0.76
    tert-butyl acetate 1.11
    decalin 0.02
    glycerin 0.8
    diglyme 3.67
    acrylic acid 2.99
    isopropyl myristate 0.44
    n-butyric acid 2.01
    acetyl acetate 3.27
    di(2-ethylhexyl) phthalate 0.96
    ethyl propionate 1.19
    nitromethane 10.52
    1,2-diethoxyethane 0.95
    benzonitrile 0.93
    trioctyl phosphate 0.62
    1-bromopropane 0.57
    gamma-valerolactone 8.72
    n-decanol 0.23
    triethyl phosphate 1.03
    4-methyl-2-pentanol 0.18
    propionitrile 0.7
    vinylene carbonate 4.76
    1,1,2-trichlorotrifluoroethane 11.47
    DMS 2.16
    cumene 0.15
    2-octanol 0.23
    2-hexanone 1.05
    octyl acetate 0.72
    limonene 0.19
    1,2-dimethoxyethane 2.3
    ethyl orthosilicate 0.84
    tributyl phosphate 0.66
    diacetone alcohol 1.58
    N,N-dimethylaniline 0.46
    acrylonitrile 1.52
    aniline 0.69
    1,3-propanediol 0.55
    bromobenzene 0.97
    dibromomethane 2.55
    1,1,2,2-tetrachloroethane 6.76
    2-methyl-cyclohexyl acetate 0.96
    tetrabutyl urea 1.03
    diisobutyl methanol 0.15
    2-phenylethanol 0.77
    styrene 0.21
    dioctyl adipate 1.0
    dimethyl sulfate 6.93
    ethyl butyrate 0.95
    methyl lactate 1.88
    butyl lactate 1.45
    diethyl carbonate 0.9
    propanediol butyl ether 1.06
    triethyl orthoformate 0.99
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 1.95
    morpholine 1.43
    tert-butylamine 0.09
    n-dodecanol 0.15
    dimethoxymethane 2.25
    ethylene carbonate 3.63
    cyrene 3.19
    2-ethoxyethyl acetate 3.2
    2-ethylhexyl acetate 0.8
    1,2,4-trichlorobenzene 2.27
    4-methylpyridine 1.55
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.15
    DEF 2.67
    dimethyl isosorbide 3.04
    tetrachloroethylene 5.22
    eugenol 1.81
    triacetin 2.77
    span 80 1.25
    1,4-butanediol 0.39
    1,1-dichloroethane 1.72
    2-methyl-1-pentanol 0.35
    methyl formate 2.54
    2-methyl-1-butanol 0.28
    n-decane 0.03
    butyronitrile 0.48
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.17
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.44
    tetrahydropyran 0.64
    tert-amyl methyl ether 0.38
    2,5,8-trioxanonane 2.65
    1-hexene 0.06
    2-isopropoxyethanol 1.07
    2,2,2-trifluoroethanol 4.87
    methyl butyrate 1.48

    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