Veranisatin A

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  • Identifiers

    CAS number
    153445-92-2

    Molecular formula
    C16H22O8

    SMILES
    CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.27%
    Sweet 41.5%
    Woody 29.21%
    Spicy 25.41%
    Mint 22.63%
    Cooling 22.13%
    Lactonic 20.58%
    Caramellic 19.67%
    Milky 18.33%
    Creamy 17.54%

     

    Flavor
    Bitter 79.87%
    Fatty 31.01%
    Sweet-like 25.34%
    Bland 22.76%
    Odorless 22.67%
    Cedarleaf 21.66%
    Fenugreek 20.95%
    Naphthalic 20.92%
    Cauliflower 20.78%
    Cotton candy 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    4.66 (weak acid)

    Molecular weight
    342.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    1333°C

    Melting point expt.

    • 181 - 182 °C

    Flash point

    • 234.63 ˚C est.

  • Synonyms

    • Veranisatin A
    • 153445-92-2
    • 5,7,11-trihydroxy-7-(methoxymethyl)-2-methylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
    • (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-Hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione
    • Hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-
    • DTXSID20934752
    • CHEBI:175343
    • Spiro(6H-4,9a-methanocyclopent(d)-oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-5-(methoxymethyl)-9-methyl-1,5,6a-trihydroxy-, (1R-(1-alpha,4-beta,5-beta,6-beta,6a- beta,9-alpha,9a-beta))-
    • Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methyl-, (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-
    • 1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylhexahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-2,2'(1H)-dione
    • 5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-2,10'-dione
    • 153445-92-2

  • Applications

    Veranisatin A (CAS 153445-92-2) is primarily discussed as an intermediate and specialty reagent in organic synthesis, with potential use as a solvent or co-solvent in chemical processing; it is occasionally evaluated for fragrance or odorant applications in perfumery; it may be used as an additive in cosmetics and personal care formulations; it is considered for applications in coatings and inks as a processing modifier or stabilizer; and it can serve as a processing aid or additive in polymers or plastics, with applicability depending on formulation and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.28
    methanol 46.24
    isopropanol 4.54
    water 3.97
    ethyl acetate 11.34
    n-propanol 4.72
    acetone 25.59
    n-butanol 4.25
    acetonitrile 11.38
    DMF 127.52
    toluene 1.8
    isobutanol 2.66
    1,4-dioxane 30.81
    methyl acetate 11.57
    THF 55.74
    2-butanone 11.27
    n-pentanol 2.67
    sec-butanol 1.89
    n-hexane 0.1
    ethylene glycol 25.22
    NMP 97.35
    cyclohexane 0.31
    DMSO 200.4
    n-butyl acetate 6.47
    n-octanol 1.77
    chloroform 10.8
    n-propyl acetate 6.21
    acetic acid 33.25
    dichloromethane 12.99
    cyclohexanone 28.33
    propylene glycol 6.58
    isopropyl acetate 7.8
    DMAc 75.79
    2-ethoxyethanol 22.3
    isopentanol 3.61
    n-heptane 0.17
    ethyl formate 15.66
    1,2-dichloroethane 10.7
    n-hexanol 4.25
    2-methoxyethanol 72.05
    isobutyl acetate 3.52
    tetrachloromethane 2.61
    n-pentyl acetate 4.79
    transcutol 12.99
    n-heptanol 3.22
    ethylbenzene 1.01
    MIBK 8.1
    2-propoxyethanol 32.34
    tert-butanol 5.26
    MTBE 1.5
    2-butoxyethanol 14.75
    propionic acid 9.62
    o-xylene 1.65
    formic acid 95.3
    diethyl ether 3.23
    m-xylene 1.79
    p-xylene 1.58
    chlorobenzene 3.1
    dimethyl carbonate 25.82
    n-octane 0.09
    formamide 114.29
    cyclopentanone 51.63
    2-pentanone 11.77
    anisole 3.37
    cyclopentyl methyl ether 8.71
    gamma-butyrolactone 67.96
    1-methoxy-2-propanol 35.61
    pyridine 14.83
    3-pentanone 8.0
    furfural 61.41
    n-dodecane 0.08
    diethylene glycol 63.75
    diisopropyl ether 0.92
    tert-amyl alcohol 2.31
    acetylacetone 33.11
    n-hexadecane 0.1
    acetophenone 7.9
    methyl propionate 14.95
    isopentyl acetate 5.48
    trichloroethylene 20.87
    n-nonanol 2.0
    cyclohexanol 4.42
    benzyl alcohol 6.01
    2-ethylhexanol 2.23
    isooctanol 2.42
    dipropyl ether 2.35
    1,2-dichlorobenzene 4.19
    ethyl lactate 9.48
    propylene carbonate 27.24
    n-methylformamide 67.26
    2-pentanol 1.86
    n-pentane 0.13
    1-propoxy-2-propanol 13.24
    1-methoxy-2-propyl acetate 16.05
    2-(2-methoxypropoxy) propanol 9.84
    mesitylene 1.34
    ε-caprolactone 21.71
    p-cymene 1.4
    epichlorohydrin 47.4
    1,1,1-trichloroethane 5.33
    2-aminoethanol 16.07
    morpholine-4-carbaldehyde 87.11
    sulfolane 107.4
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 11.02
    n-hexyl acetate 4.63
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 11.49
    sec-butyl acetate 3.54
    tert-butyl acetate 7.88
    decalin 0.19
    glycerin 35.93
    diglyme 26.31
    acrylic acid 17.66
    isopropyl myristate 2.11
    n-butyric acid 13.51
    acetyl acetate 16.71
    di(2-ethylhexyl) phthalate 4.04
    ethyl propionate 6.74
    nitromethane 100.28
    1,2-diethoxyethane 4.39
    benzonitrile 7.27
    trioctyl phosphate 3.51
    1-bromopropane 1.99
    gamma-valerolactone 85.35
    n-decanol 1.4
    triethyl phosphate 4.95
    4-methyl-2-pentanol 1.85
    propionitrile 6.37
    vinylene carbonate 29.98
    1,1,2-trichlorotrifluoroethane 53.87
    DMS 9.49
    cumene 0.86
    2-octanol 1.3
    2-hexanone 5.84
    octyl acetate 2.94
    limonene 1.76
    1,2-dimethoxyethane 31.42
    ethyl orthosilicate 3.91
    tributyl phosphate 3.14
    diacetone alcohol 18.08
    N,N-dimethylaniline 3.37
    acrylonitrile 15.27
    aniline 4.54
    1,3-propanediol 22.81
    bromobenzene 2.5
    dibromomethane 5.79
    1,1,2,2-tetrachloroethane 14.27
    2-methyl-cyclohexyl acetate 5.6
    tetrabutyl urea 5.66
    diisobutyl methanol 1.6
    2-phenylethanol 8.3
    styrene 1.01
    dioctyl adipate 4.0
    dimethyl sulfate 56.44
    ethyl butyrate 5.62
    methyl lactate 28.68
    butyl lactate 6.01
    diethyl carbonate 4.81
    propanediol butyl ether 7.8
    triethyl orthoformate 4.69
    p-tert-butyltoluene 1.33
    methyl 4-tert-butylbenzoate 10.14
    morpholine 28.52
    tert-butylamine 1.42
    n-dodecanol 0.96
    dimethoxymethane 65.68
    ethylene carbonate 24.33
    cyrene 26.89
    2-ethoxyethyl acetate 8.78
    2-ethylhexyl acetate 4.05
    1,2,4-trichlorobenzene 5.79
    4-methylpyridine 10.09
    dibutyl ether 1.1
    2,6-dimethyl-4-heptanol 1.6
    DEF 21.38
    dimethyl isosorbide 24.87
    tetrachloroethylene 13.81
    eugenol 11.81
    triacetin 8.84
    span 80 7.88
    1,4-butanediol 8.38
    1,1-dichloroethane 4.39
    2-methyl-1-pentanol 2.27
    methyl formate 68.47
    2-methyl-1-butanol 2.39
    n-decane 0.13
    butyronitrile 5.37
    3,7-dimethyl-1-octanol 1.73
    1-chlorooctane 0.67
    1-chlorotetradecane 0.32
    n-nonane 0.1
    undecane 0.1
    tert-butylcyclohexane 0.12
    cyclooctane 0.16
    cyclopentanol 8.04
    tetrahydropyran 8.58
    tert-amyl methyl ether 1.56
    2,5,8-trioxanonane 19.55
    1-hexene 0.42
    2-isopropoxyethanol 10.99
    2,2,2-trifluoroethanol 35.69
    methyl butyrate 9.35

    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