Helveticoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    630-64-8

    Molecular formula
    C29H42O9

    SMILES
    C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 45.08%
    Woody 36.53%
    Spicy 30.39%
    Sweet 30.0%
    Mint 21.91%
    Cooling 20.34%
    Lactonic 20.31%
    Balsamic 18.7%
    Vanilla 18.01%
    Warm 17.54%

     

    Flavor
    Bitter 74.05%
    Fatty 37.03%
    Sweet-like 23.08%
    Cedarleaf 22.46%
    Metallic 21.56%
    Alkaline 20.67%
    Beet 20.45%
    Cauliflower 20.29%
    Naphthalic 20.28%
    Soil 20.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    5.0 (weak acid)

    Molecular weight
    534.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    556°C

    Flash point

    • 280.32 ˚C est.

  • Synonyms

    • Helveticoside
    • 630-64-8
    • Erysimin
    • Erysimotoxin
    • Deglucoerysimoside
    • 52OAE3C457
    • DTXSID001317694
    • (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    • (3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
    • (3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
    • (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    • RefChem:145527
    • DTXCID501747498
    • 211-140-9
    • 3-beta-5,14-trihydroxy-19-oxo-5-beta-card-20(22)-enolid-3-digitoxoside /OD/ K-Strophanthidin-3-digitoxoside /OD/ erysimin
    • Helvetikosid
    • Erizimin
    • Strophanthidin 3-O-beta-D-digitoxoside
    • ALLEOSIDE A
    • Strophanthidin-beta-D-digitoxosid
    • Strophanthidin 3-beta-digitoxoside
    • Helveticoside hydrate
    • Helvetikosid [German]
    • AC1L9BSK
    • Strophanthidin digitoxoside
    • UNII-52OAE3C457
    • EINECS 211-140-9
    • Helveticoside (Erisimin)
    • Strophanthidin-beta-D-digitoxosid [German]
    • HELVETICOSIDE [MI]
    • SCHEMBL892968
    • CHEBI:5650
    • orb2279483
    • STOCK1N-57086
    • MolPort-002-529-245
    • (3s,5s,8r,9s,10s,13r,14s,17r)-3-(((2r,4s,5s,6r)-4,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-
    • HY-N12520
    • AKOS032429833
    • FS-6838
    • STROPHANTHIDIN 3.BETA.-DIGITOXOSIDE
    • CS-0928296
    • NS00093827
    • C08869
    • BRD-K07476834-001-01-0
    • Q27106852
    • (3beta,5beta)-3-((2,6-Dideoxy-beta-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
    • 3beta-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
    • CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-19-OXO-, (3.BETA.,5.BETA.)-
    • Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
    • 630-64-8

  • Applications

    Helveticoside (CAS 630-64-8) is a steroidal cardiac glycoside used primarily in pharmaceutical research and development as a reference compound and in analytical chemistry for quantification of digitalis-like glycosides in plant extracts or drug formulations. It is studied within natural product chemistry and pharmacology to understand Na+/K+-ATPase inhibition and may serve as an intermediate or probe compound in glycoside synthesis and derivatization. In laboratories, it can function as a standard for method development and validation in analytical assays. It is also encountered in toxicology and environmental studies to assess hazards and fate of cardiac glycosides, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.54
    methanol 59.73
    isopropanol 0.93
    water 0.12
    ethyl acetate 4.07
    n-propanol 3.07
    acetone 8.86
    n-butanol 1.62
    acetonitrile 2.91
    DMF 90.17
    toluene 1.02
    isobutanol 0.84
    1,4-dioxane 20.16
    methyl acetate 4.0
    THF 41.24
    2-butanone 4.5
    n-pentanol 0.83
    sec-butanol 0.53
    n-hexane 0.02
    ethylene glycol 8.03
    NMP 69.09
    cyclohexane 0.04
    DMSO 72.13
    n-butyl acetate 1.02
    n-octanol 0.7
    chloroform 11.94
    n-propyl acetate 1.38
    acetic acid 50.89
    dichloromethane 12.99
    cyclohexanone 9.36
    propylene glycol 5.73
    isopropyl acetate 1.96
    DMAc 47.67
    2-ethoxyethanol 16.67
    isopentanol 0.74
    n-heptane 0.02
    ethyl formate 5.96
    1,2-dichloroethane 4.06
    n-hexanol 0.71
    2-methoxyethanol 65.47
    isobutyl acetate 0.64
    tetrachloromethane 0.73
    n-pentyl acetate 1.98
    transcutol 22.74
    n-heptanol 0.95
    ethylbenzene 0.35
    MIBK 1.71
    2-propoxyethanol 17.63
    tert-butanol 0.49
    MTBE 0.39
    2-butoxyethanol 9.5
    propionic acid 6.08
    o-xylene 0.49
    formic acid 70.82
    diethyl ether 1.3
    m-xylene 0.56
    p-xylene 0.33
    chlorobenzene 1.7
    dimethyl carbonate 11.19
    n-octane 0.01
    formamide 67.56
    cyclopentanone 24.2
    2-pentanone 3.78
    anisole 2.57
    cyclopentyl methyl ether 4.02
    gamma-butyrolactone 39.33
    1-methoxy-2-propanol 22.21
    pyridine 15.0
    3-pentanone 2.65
    furfural 45.44
    n-dodecane 0.01
    diethylene glycol 25.2
    diisopropyl ether 0.17
    tert-amyl alcohol 0.37
    acetylacetone 13.32
    n-hexadecane 0.01
    acetophenone 3.68
    methyl propionate 6.65
    isopentyl acetate 0.89
    trichloroethylene 17.29
    n-nonanol 0.79
    cyclohexanol 0.86
    benzyl alcohol 3.54
    2-ethylhexanol 0.3
    isooctanol 0.58
    dipropyl ether 0.78
    1,2-dichlorobenzene 1.87
    ethyl lactate 3.07
    propylene carbonate 11.02
    n-methylformamide 52.53
    2-pentanol 0.43
    n-pentane 0.02
    1-propoxy-2-propanol 5.84
    1-methoxy-2-propyl acetate 5.65
    2-(2-methoxypropoxy) propanol 5.88
    mesitylene 0.25
    ε-caprolactone 10.59
    p-cymene 0.2
    epichlorohydrin 38.74
    1,1,1-trichloroethane 1.53
    2-aminoethanol 12.88
    morpholine-4-carbaldehyde 85.0
    sulfolane 59.53
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.37
    n-hexyl acetate 2.14
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.55
    sec-butyl acetate 0.68
    tert-butyl acetate 1.75
    decalin 0.02
    glycerin 25.11
    diglyme 22.62
    acrylic acid 14.5
    isopropyl myristate 0.47
    n-butyric acid 7.43
    acetyl acetate 5.49
    di(2-ethylhexyl) phthalate 1.25
    ethyl propionate 1.72
    nitromethane 85.76
    1,2-diethoxyethane 2.53
    benzonitrile 2.59
    trioctyl phosphate 0.75
    1-bromopropane 0.7
    gamma-valerolactone 94.6
    n-decanol 0.41
    triethyl phosphate 0.93
    4-methyl-2-pentanol 0.31
    propionitrile 1.82
    vinylene carbonate 17.31
    1,1,2-trichlorotrifluoroethane 55.08
    DMS 3.5
    cumene 0.18
    2-octanol 0.34
    2-hexanone 1.29
    octyl acetate 0.92
    limonene 0.22
    1,2-dimethoxyethane 17.77
    ethyl orthosilicate 0.78
    tributyl phosphate 0.7
    diacetone alcohol 4.78
    N,N-dimethylaniline 1.46
    acrylonitrile 5.67
    aniline 2.68
    1,3-propanediol 12.05
    bromobenzene 1.38
    dibromomethane 3.7
    1,1,2,2-tetrachloroethane 9.0
    2-methyl-cyclohexyl acetate 1.08
    tetrabutyl urea 1.26
    diisobutyl methanol 0.19
    2-phenylethanol 2.76
    styrene 0.47
    dioctyl adipate 1.32
    dimethyl sulfate 23.11
    ethyl butyrate 1.07
    methyl lactate 13.37
    butyl lactate 3.19
    diethyl carbonate 0.78
    propanediol butyl ether 8.11
    triethyl orthoformate 1.19
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 4.35
    morpholine 23.47
    tert-butylamine 0.13
    n-dodecanol 0.21
    dimethoxymethane 46.3
    ethylene carbonate 9.64
    cyrene 14.08
    2-ethoxyethyl acetate 6.26
    2-ethylhexyl acetate 0.65
    1,2,4-trichlorobenzene 2.91
    4-methylpyridine 6.43
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.19
    DEF 8.43
    dimethyl isosorbide 11.53
    tetrachloroethylene 7.12
    eugenol 5.71
    triacetin 5.31
    span 80 5.24
    1,4-butanediol 3.05
    1,1-dichloroethane 1.68
    2-methyl-1-pentanol 0.47
    methyl formate 36.67
    2-methyl-1-butanol 0.69
    n-decane 0.03
    butyronitrile 1.38
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.19
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.87
    tetrahydropyran 4.01
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 12.87
    1-hexene 0.09
    2-isopropoxyethanol 4.93
    2,2,2-trifluoroethanol 16.56
    methyl butyrate 2.34

    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