Veranisatin C

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  • Identifiers

    CAS number
    182876-51-3

    Molecular formula
    C16H20O10

    SMILES
    C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C(=O)OC)O)OC(=O)[C@@H]3O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.66%
    Sweet 40.86%
    Caramellic 30.03%
    Burnt 22.67%
    Milky 19.0%
    Woody 18.3%
    Spicy 18.08%
    Lactonic 16.56%
    Buttery 16.4%
    Nutty 16.31%

     

    Flavor
    Bitter 83.56%
    Odorless 26.07%
    Sweet-like 25.5%
    Bland 25.41%
    Very mild 23.31%
    Fenugreek 21.29%
    Cedarleaf 21.11%
    Cotton candy 20.71%
    Extremely sweet 20.6%
    Seedy 20.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.4

    pKa est.
    3.83 (weak acid)

    Molecular weight
    372.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    2012°C

    Flash point

    • 249.13 ˚C est.

  • Synonyms

    • Veranisatin C
    • Methyl (1S,2R,4R,5R,6R,7R,8R,11R)-4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
    • methyl (1S,2R,4R,5R,6R,7R,8R,11R)-4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro(9-oxatricyclo(6.3.1.01,5)dodecane-6,3'-oxetane)-7-carboxylate
    • RefChem:933971
    • SCHEMBL31236374
    • CHEBI:172602
    • DTXSID701099154
    • 182876-51-3
    • Spiro[6H-4,9a-methanocyclopent[d]oxocin-6,3a(2)-oxetane]-5-carboxylic acid, octahydro-1,5,6a,7-tetrahydroxy-9-methyl-2,2a(2)-dioxo-, methyl ester, (1R,3a(2)R,4R,5R,6aR,7R,9R,9aS)-
    • 182876-51-3

  • Applications

    Veranisatin C (CAS 182876-51-3) is typically handled as an intermediate in organic synthesis and may be used as a processing aid or small additive in industrial manufacturing; in polymers and coatings, it is often evaluated for use as a reactive intermediate or additive to modify material properties; in electronics-related research, it may serve as a precursor for specialty materials or as a component in the synthesis of functional compounds; in cosmetics or personal care, it may be explored as a fragrance-related ingredient or solvent within formulation limits; in cleaning products, it could function as a solvent or formulation aid under appropriate regulatory restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.73
    methanol 89.0
    isopropanol 7.34
    water 8.51
    ethyl acetate 17.74
    n-propanol 7.65
    acetone 37.11
    n-butanol 5.24
    acetonitrile 14.52
    DMF 226.33
    toluene 1.55
    isobutanol 3.26
    1,4-dioxane 50.44
    methyl acetate 19.59
    THF 76.92
    2-butanone 15.25
    n-pentanol 2.75
    sec-butanol 3.03
    n-hexane 0.16
    ethylene glycol 57.24
    NMP 158.04
    cyclohexane 0.43
    DMSO 338.46
    n-butyl acetate 6.96
    n-octanol 1.85
    chloroform 7.26
    n-propyl acetate 7.01
    acetic acid 66.66
    dichloromethane 12.51
    cyclohexanone 26.31
    propylene glycol 15.29
    isopropyl acetate 9.26
    DMAc 121.91
    2-ethoxyethanol 38.68
    isopentanol 3.27
    n-heptane 0.24
    ethyl formate 22.95
    1,2-dichloroethane 10.73
    n-hexanol 3.81
    2-methoxyethanol 146.08
    isobutyl acetate 2.28
    tetrachloromethane 1.91
    n-pentyl acetate 5.09
    transcutol 20.32
    n-heptanol 2.99
    ethylbenzene 0.85
    MIBK 6.83
    2-propoxyethanol 44.62
    tert-butanol 5.89
    MTBE 2.12
    2-butoxyethanol 18.32
    propionic acid 16.04
    o-xylene 1.38
    formic acid 242.26
    diethyl ether 6.61
    m-xylene 1.31
    p-xylene 1.0
    chlorobenzene 1.85
    dimethyl carbonate 46.03
    n-octane 0.12
    formamide 290.71
    cyclopentanone 61.09
    2-pentanone 13.77
    anisole 3.42
    cyclopentyl methyl ether 12.66
    gamma-butyrolactone 100.46
    1-methoxy-2-propanol 59.43
    pyridine 18.87
    3-pentanone 9.96
    furfural 85.42
    n-dodecane 0.08
    diethylene glycol 98.36
    diisopropyl ether 1.36
    tert-amyl alcohol 3.01
    acetylacetone 38.97
    n-hexadecane 0.1
    acetophenone 6.66
    methyl propionate 24.86
    isopentyl acetate 4.47
    trichloroethylene 17.45
    n-nonanol 1.91
    cyclohexanol 4.4
    benzyl alcohol 5.17
    2-ethylhexanol 1.78
    isooctanol 1.84
    dipropyl ether 3.43
    1,2-dichlorobenzene 2.49
    ethyl lactate 10.59
    propylene carbonate 31.65
    n-methylformamide 135.34
    2-pentanol 2.41
    n-pentane 0.2
    1-propoxy-2-propanol 16.52
    1-methoxy-2-propyl acetate 19.6
    2-(2-methoxypropoxy) propanol 9.51
    mesitylene 0.94
    ε-caprolactone 26.91
    p-cymene 0.99
    epichlorohydrin 60.16
    1,1,1-trichloroethane 3.37
    2-aminoethanol 31.42
    morpholine-4-carbaldehyde 161.32
    sulfolane 152.17
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 15.76
    n-hexyl acetate 4.71
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 13.76
    sec-butyl acetate 3.47
    tert-butyl acetate 8.47
    decalin 0.17
    glycerin 81.16
    diglyme 36.34
    acrylic acid 29.05
    isopropyl myristate 1.69
    n-butyric acid 17.25
    acetyl acetate 20.22
    di(2-ethylhexyl) phthalate 2.79
    ethyl propionate 8.04
    nitromethane 200.96
    1,2-diethoxyethane 5.99
    benzonitrile 4.9
    trioctyl phosphate 2.62
    1-bromopropane 1.88
    gamma-valerolactone 136.46
    n-decanol 1.27
    triethyl phosphate 4.58
    4-methyl-2-pentanol 1.63
    propionitrile 6.72
    vinylene carbonate 36.29
    1,1,2-trichlorotrifluoroethane 75.45
    DMS 11.17
    cumene 0.57
    2-octanol 1.38
    2-hexanone 5.51
    octyl acetate 2.72
    limonene 1.41
    1,2-dimethoxyethane 47.38
    ethyl orthosilicate 3.38
    tributyl phosphate 2.38
    diacetone alcohol 19.76
    N,N-dimethylaniline 3.0
    acrylonitrile 17.39
    aniline 4.65
    1,3-propanediol 39.3
    bromobenzene 1.48
    dibromomethane 4.89
    1,1,2,2-tetrachloroethane 11.49
    2-methyl-cyclohexyl acetate 4.27
    tetrabutyl urea 4.38
    diisobutyl methanol 1.18
    2-phenylethanol 6.8
    styrene 0.86
    dioctyl adipate 3.13
    dimethyl sulfate 95.64
    ethyl butyrate 6.05
    methyl lactate 43.38
    butyl lactate 6.0
    diethyl carbonate 5.24
    propanediol butyl ether 9.36
    triethyl orthoformate 4.75
    p-tert-butyltoluene 0.94
    methyl 4-tert-butylbenzoate 8.21
    morpholine 52.05
    tert-butylamine 1.69
    n-dodecanol 0.85
    dimethoxymethane 126.33
    ethylene carbonate 27.84
    cyrene 24.68
    2-ethoxyethyl acetate 10.87
    2-ethylhexyl acetate 3.36
    1,2,4-trichlorobenzene 3.34
    4-methylpyridine 10.23
    dibutyl ether 1.24
    2,6-dimethyl-4-heptanol 1.18
    DEF 31.41
    dimethyl isosorbide 24.66
    tetrachloroethylene 12.65
    eugenol 9.6
    triacetin 8.53
    span 80 7.73
    1,4-butanediol 11.3
    1,1-dichloroethane 3.4
    2-methyl-1-pentanol 1.81
    methyl formate 121.48
    2-methyl-1-butanol 2.52
    n-decane 0.15
    butyronitrile 5.13
    3,7-dimethyl-1-octanol 1.27
    1-chlorooctane 0.62
    1-chlorotetradecane 0.26
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.1
    cyclooctane 0.2
    cyclopentanol 9.36
    tetrahydropyran 12.64
    tert-amyl methyl ether 2.32
    2,5,8-trioxanonane 21.81
    1-hexene 0.51
    2-isopropoxyethanol 13.89
    2,2,2-trifluoroethanol 62.33
    methyl butyrate 10.43

    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