Anhydroryanodine

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  • Identifiers

    CAS number
    6883-31-4

    Molecular formula
    C25H33NO8

    SMILES
    C[C@H]1CC[C@@]2([C@@]3(CC(=O)O[C@@]2([C@@H]1O)[C@@]4([C@]3([C@@H](C(=C4C)C(C)C)OC(=O)C5=CC=CN5)O)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.93%
    Cooling 25.21%
    Woody 23.87%
    Sweet 22.37%
    Mint 20.21%
    Spicy 17.87%
    Milky 17.8%
    Savory 16.84%
    Burnt 16.32%
    Balsamic 15.98%

     

    Flavor
    Bitter 89.3%
    Bland 26.62%
    Odorless 24.49%
    Sweet-like 22.98%
    Cedarleaf 21.46%
    Parsley 19.6%
    Ripe apricot 19.26%
    Red fruit 19.1%
    Lovage 19.0%
    Leaves 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.76 (neutral)

    Molecular weight
    475.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1862°C

    Flash point

    • 239.87 ˚C est.

  • Synonyms

    • Anhydroryanodine
    • 6883-31-4
    • BRN 0068693
    • 4-22-00-00227 (Beilstein Handbook Reference)
    • 1H-Pyrrole-2-carboxylic acid, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-3,5,8-trimethyl-2-(1-methylethyl)-10-oxo-1H-3b,8-(epoxy ethano)cyclopent(a)inden-1-yl ester, (1R-(1-alpha,3a-beta,3b-alpha,4-alpha,5-beta,7a-beta,8-alpha,8a-beta))-
    • 1H-Pyrrole-2-carboxylic acid, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-3,5,8-trimethyl-2-(1-methylethyl)-10-oxo-1H-3b,8-(epoxyethano)cyclopent(a)inden-1-yl ester, (1R-(1alpha,3abeta,3balpha,4alpha,5beta,7abeta,8alpha,8abeta))-
    • RefChem:319574
    • Ryanodine, anhydro-(7CI,8CI)
    • CHEMBL164257
    • Ryanodine, anhydro-
    • BDBM50016408
    • 2,6,8,12-tetrahydroxy-10-isopropyl-3,7,11-trimethyl-14-oxo-(2R,3S,6S,7S,8S,9R,12R)-13-oxatetracyclo[5.5.3.01,6.08,12]pentadec-10-en-9-yl 1H-2-pyrrolecarboxylate(anhydroryanodine)
    • 6883-31-4

  • Applications

    Anhydroryanodine (CAS 6883-31-4) is primarily used as a research tool in biochemistry and pharmacology to study ryanodine receptors and Ca2+-release signaling. In academic and pharmaceutical research, it serves as a reference ligand for receptor-binding assays and structure–activity relationship (SAR) studies related to ryanodine receptor modulation. It is also used as an organic synthesis intermediate for preparing ryanodine-related probes and derivatives, and may appear in analytical chemistry workflows as a standard for calibration or assay development. Overall, its applications are typically confined to laboratory research settings and are governed by applicable regulations and handling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.29
    methanol 66.01
    isopropanol 20.31
    water 0.85
    ethyl acetate 13.79
    n-propanol 24.07
    acetone 46.03
    n-butanol 19.8
    acetonitrile 11.67
    DMF 122.47
    toluene 5.37
    isobutanol 14.37
    1,4-dioxane 47.96
    methyl acetate 16.97
    THF 105.82
    2-butanone 31.89
    n-pentanol 16.26
    sec-butanol 13.0
    n-hexane 0.42
    ethylene glycol 23.91
    NMP 126.13
    cyclohexane 0.69
    DMSO 147.26
    n-butyl acetate 11.51
    n-octanol 5.15
    chloroform 18.68
    n-propyl acetate 10.0
    acetic acid 61.87
    dichloromethane 16.85
    cyclohexanone 59.02
    propylene glycol 20.41
    isopropyl acetate 10.49
    DMAc 95.96
    2-ethoxyethanol 44.09
    isopentanol 13.79
    n-heptane 0.32
    ethyl formate 17.12
    1,2-dichloroethane 14.53
    n-hexanol 13.97
    2-methoxyethanol 84.21
    isobutyl acetate 6.58
    tetrachloromethane 4.15
    n-pentyl acetate 12.95
    transcutol 21.91
    n-heptanol 9.92
    ethylbenzene 2.86
    MIBK 12.97
    2-propoxyethanol 53.3
    tert-butanol 14.98
    MTBE 5.55
    2-butoxyethanol 30.54
    propionic acid 21.94
    o-xylene 3.46
    formic acid 55.95
    diethyl ether 9.3
    m-xylene 3.24
    p-xylene 3.79
    chlorobenzene 6.78
    dimethyl carbonate 19.26
    n-octane 0.22
    formamide 59.48
    cyclopentanone 91.95
    2-pentanone 24.46
    anisole 6.04
    cyclopentyl methyl ether 18.93
    gamma-butyrolactone 80.82
    1-methoxy-2-propanol 54.58
    pyridine 31.69
    3-pentanone 16.9
    furfural 49.57
    n-dodecane 0.17
    diethylene glycol 56.08
    diisopropyl ether 1.93
    tert-amyl alcohol 9.72
    acetylacetone 30.19
    n-hexadecane 0.2
    acetophenone 12.82
    methyl propionate 18.87
    isopentyl acetate 9.82
    trichloroethylene 26.79
    n-nonanol 5.54
    cyclohexanol 14.24
    benzyl alcohol 15.06
    2-ethylhexanol 5.49
    isooctanol 6.84
    dipropyl ether 4.63
    1,2-dichlorobenzene 5.98
    ethyl lactate 11.55
    propylene carbonate 27.4
    n-methylformamide 58.17
    2-pentanol 8.47
    n-pentane 0.5
    1-propoxy-2-propanol 24.33
    1-methoxy-2-propyl acetate 17.99
    2-(2-methoxypropoxy) propanol 14.31
    mesitylene 1.76
    ε-caprolactone 40.94
    p-cymene 2.13
    epichlorohydrin 67.26
    1,1,1-trichloroethane 8.71
    2-aminoethanol 31.51
    morpholine-4-carbaldehyde 95.99
    sulfolane 124.73
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 30.37
    n-hexyl acetate 11.02
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 20.39
    sec-butyl acetate 6.0
    tert-butyl acetate 9.37
    decalin 0.39
    glycerin 48.53
    diglyme 31.55
    acrylic acid 29.32
    isopropyl myristate 3.63
    n-butyric acid 26.46
    acetyl acetate 11.38
    di(2-ethylhexyl) phthalate 7.49
    ethyl propionate 8.14
    nitromethane 69.27
    1,2-diethoxyethane 9.24
    benzonitrile 11.65
    trioctyl phosphate 6.2
    1-bromopropane 5.87
    gamma-valerolactone 123.79
    n-decanol 3.5
    triethyl phosphate 4.53
    4-methyl-2-pentanol 5.12
    propionitrile 11.85
    vinylene carbonate 26.14
    1,1,2-trichlorotrifluoroethane 56.19
    DMS 12.86
    cumene 1.89
    2-octanol 5.11
    2-hexanone 16.64
    octyl acetate 5.96
    limonene 2.79
    1,2-dimethoxyethane 41.28
    ethyl orthosilicate 4.11
    tributyl phosphate 5.19
    diacetone alcohol 21.7
    N,N-dimethylaniline 5.69
    acrylonitrile 19.24
    aniline 11.03
    1,3-propanediol 44.16
    bromobenzene 5.24
    dibromomethane 10.26
    1,1,2,2-tetrachloroethane 20.98
    2-methyl-cyclohexyl acetate 8.36
    tetrabutyl urea 9.25
    diisobutyl methanol 2.55
    2-phenylethanol 16.26
    styrene 2.97
    dioctyl adipate 6.5
    dimethyl sulfate 35.95
    ethyl butyrate 6.65
    methyl lactate 28.03
    butyl lactate 12.98
    diethyl carbonate 4.34
    propanediol butyl ether 20.35
    triethyl orthoformate 5.48
    p-tert-butyltoluene 1.89
    methyl 4-tert-butylbenzoate 13.2
    morpholine 57.36
    tert-butylamine 4.22
    n-dodecanol 2.22
    dimethoxymethane 66.94
    ethylene carbonate 23.47
    cyrene 33.54
    2-ethoxyethyl acetate 18.72
    2-ethylhexyl acetate 7.81
    1,2,4-trichlorobenzene 9.12
    4-methylpyridine 22.79
    dibutyl ether 2.72
    2,6-dimethyl-4-heptanol 2.55
    DEF 27.61
    dimethyl isosorbide 26.06
    tetrachloroethylene 17.11
    eugenol 16.43
    triacetin 11.48
    span 80 15.62
    1,4-butanediol 23.48
    1,1-dichloroethane 9.68
    2-methyl-1-pentanol 11.5
    methyl formate 45.37
    2-methyl-1-butanol 12.42
    n-decane 0.32
    butyronitrile 11.25
    3,7-dimethyl-1-octanol 3.71
    1-chlorooctane 1.63
    1-chlorotetradecane 0.63
    n-nonane 0.25
    undecane 0.22
    tert-butylcyclohexane 0.29
    cyclooctane 0.27
    cyclopentanol 25.77
    tetrahydropyran 24.7
    tert-amyl methyl ether 5.11
    2,5,8-trioxanonane 21.26
    1-hexene 1.96
    2-isopropoxyethanol 23.51
    2,2,2-trifluoroethanol 28.77
    methyl butyrate 11.98

    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