Veranisatin B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    153445-93-3

    Molecular formula
    C16H20O9

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.83%
    Sweet 40.72%
    Caramellic 28.25%
    Woody 23.52%
    Spicy 22.13%
    Lactonic 21.92%
    Burnt 21.21%
    Mint 20.3%
    Nutty 19.67%
    Milky 18.61%

     

    Flavor
    Bitter 85.81%
    Bland 25.32%
    Sweet-like 24.48%
    Odorless 23.09%
    Very mild 21.93%
    Cedarleaf 21.59%
    Fenugreek 20.99%
    Cotton candy 20.66%
    Seedy 20.46%
    Extremely sweet 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    3.97 (weak acid)

    Molecular weight
    356.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    1383°C

    Melting point expt.

    • 212 - 213 °C

    Flash point

    • 236.39 ˚C est.

  • Synonyms

    • Veranisatin B
    • 153445-93-3
    • methyl 5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
    • Methyl (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxospiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylate
    • Methyl octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxospiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylate (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-
    • DTXSID80934753
    • CHEBI:175569
    • Spiro(6H,4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylic acid, octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxo-, methyl ester, (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-
    • Spiro(6H-4,9a-methanocyclopent(d)-oxocin-6,3'-oxetane)-5-carboxylic acid, octahydro-2,2'-dioxo-9-methyl-1,5,6a-trihydroxy-, methyl ester, (1R-(1-alpha,4-beta,5-beta,6-beta,6a-beta,9-alpha,9a-beta))-
    • Methyl 1,5,6a-trihydroxy-9-methyl-2,2'-dioxooctahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-5-carboxylate
    • methyl 5',7',11'-trihydroxy-2'-methyl-2,10'-dioxo-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-7'-carboxylate
    • 153445-93-3

  • Applications

    Veranisatin B (CAS 153445-93-3) is primarily regarded as an intermediate in organic synthesis and is being evaluated for use in fragrance and cosmetics; it may also function as an additive in coatings and inks and is considered for industrial cleaning formulations, with ongoing investigations into its role in certain polymer systems to aid processing and stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.8
    methanol 37.38
    isopropanol 4.97
    water 2.45
    ethyl acetate 15.75
    n-propanol 5.25
    acetone 31.93
    n-butanol 4.25
    acetonitrile 13.72
    DMF 113.38
    toluene 2.18
    isobutanol 2.78
    1,4-dioxane 41.29
    methyl acetate 16.79
    THF 66.48
    2-butanone 14.68
    n-pentanol 2.51
    sec-butanol 2.38
    n-hexane 0.14
    ethylene glycol 21.79
    NMP 105.56
    cyclohexane 0.44
    DMSO 202.07
    n-butyl acetate 7.32
    n-octanol 1.78
    chloroform 10.23
    n-propyl acetate 7.19
    acetic acid 35.08
    dichloromethane 13.57
    cyclohexanone 28.87
    propylene glycol 6.36
    isopropyl acetate 9.66
    DMAc 82.07
    2-ethoxyethanol 23.14
    isopentanol 3.55
    n-heptane 0.2
    ethyl formate 16.76
    1,2-dichloroethane 11.65
    n-hexanol 4.02
    2-methoxyethanol 74.37
    isobutyl acetate 3.03
    tetrachloromethane 2.63
    n-pentyl acetate 5.26
    transcutol 13.85
    n-heptanol 3.0
    ethylbenzene 1.11
    MIBK 8.18
    2-propoxyethanol 33.16
    tert-butanol 5.99
    MTBE 2.28
    2-butoxyethanol 14.39
    propionic acid 11.14
    o-xylene 1.86
    formic acid 82.73
    diethyl ether 5.21
    m-xylene 1.84
    p-xylene 1.54
    chlorobenzene 2.95
    dimethyl carbonate 30.99
    n-octane 0.1
    formamide 114.66
    cyclopentanone 55.39
    2-pentanone 13.68
    anisole 3.82
    cyclopentyl methyl ether 11.18
    gamma-butyrolactone 74.06
    1-methoxy-2-propanol 34.97
    pyridine 18.0
    3-pentanone 10.36
    furfural 61.36
    n-dodecane 0.09
    diethylene glycol 60.81
    diisopropyl ether 1.31
    tert-amyl alcohol 2.96
    acetylacetone 36.29
    n-hexadecane 0.11
    acetophenone 7.75
    methyl propionate 19.05
    isopentyl acetate 5.36
    trichloroethylene 21.27
    n-nonanol 1.95
    cyclohexanol 4.63
    benzyl alcohol 5.54
    2-ethylhexanol 2.1
    isooctanol 2.11
    dipropyl ether 2.88
    1,2-dichlorobenzene 3.97
    ethyl lactate 8.57
    propylene carbonate 26.49
    n-methylformamide 62.36
    2-pentanol 2.16
    n-pentane 0.18
    1-propoxy-2-propanol 13.15
    1-methoxy-2-propyl acetate 16.72
    2-(2-methoxypropoxy) propanol 9.23
    mesitylene 1.34
    ε-caprolactone 24.69
    p-cymene 1.34
    epichlorohydrin 51.54
    1,1,1-trichloroethane 5.72
    2-aminoethanol 14.04
    morpholine-4-carbaldehyde 94.05
    sulfolane 117.31
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 14.77
    n-hexyl acetate 4.99
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 11.23
    sec-butyl acetate 3.91
    tert-butyl acetate 9.26
    decalin 0.22
    glycerin 33.55
    diglyme 27.09
    acrylic acid 19.23
    isopropyl myristate 2.11
    n-butyric acid 13.76
    acetyl acetate 19.67
    di(2-ethylhexyl) phthalate 3.49
    ethyl propionate 8.05
    nitromethane 112.02
    1,2-diethoxyethane 5.24
    benzonitrile 6.45
    trioctyl phosphate 3.05
    1-bromopropane 2.2
    gamma-valerolactone 94.2
    n-decanol 1.34
    triethyl phosphate 4.94
    4-methyl-2-pentanol 1.84
    propionitrile 7.22
    vinylene carbonate 27.9
    1,1,2-trichlorotrifluoroethane 53.34
    DMS 11.11
    cumene 0.85
    2-octanol 1.37
    2-hexanone 6.48
    octyl acetate 3.0
    limonene 1.81
    1,2-dimethoxyethane 34.1
    ethyl orthosilicate 3.86
    tributyl phosphate 2.73
    diacetone alcohol 18.63
    N,N-dimethylaniline 3.45
    acrylonitrile 16.22
    aniline 5.06
    1,3-propanediol 21.48
    bromobenzene 2.58
    dibromomethane 6.12
    1,1,2,2-tetrachloroethane 14.77
    2-methyl-cyclohexyl acetate 5.22
    tetrabutyl urea 5.06
    diisobutyl methanol 1.44
    2-phenylethanol 7.6
    styrene 1.13
    dioctyl adipate 3.7
    dimethyl sulfate 64.85
    ethyl butyrate 6.17
    methyl lactate 27.04
    butyl lactate 5.35
    diethyl carbonate 5.33
    propanediol butyl ether 6.78
    triethyl orthoformate 4.8
    p-tert-butyltoluene 1.27
    methyl 4-tert-butylbenzoate 9.2
    morpholine 35.8
    tert-butylamine 1.7
    n-dodecanol 0.93
    dimethoxymethane 71.64
    ethylene carbonate 23.73
    cyrene 22.53
    2-ethoxyethyl acetate 10.09
    2-ethylhexyl acetate 4.14
    1,2,4-trichlorobenzene 5.44
    4-methylpyridine 11.26
    dibutyl ether 1.24
    2,6-dimethyl-4-heptanol 1.44
    DEF 24.04
    dimethyl isosorbide 23.43
    tetrachloroethylene 14.3
    eugenol 10.05
    triacetin 8.23
    span 80 7.31
    1,4-butanediol 6.96
    1,1-dichloroethane 4.85
    2-methyl-1-pentanol 2.13
    methyl formate 60.41
    2-methyl-1-butanol 2.44
    n-decane 0.14
    butyronitrile 5.59
    3,7-dimethyl-1-octanol 1.56
    1-chlorooctane 0.69
    1-chlorotetradecane 0.32
    n-nonane 0.11
    undecane 0.11
    tert-butylcyclohexane 0.13
    cyclooctane 0.2
    cyclopentanol 8.46
    tetrahydropyran 11.8
    tert-amyl methyl ether 2.31
    2,5,8-trioxanonane 19.22
    1-hexene 0.52
    2-isopropoxyethanol 10.76
    2,2,2-trifluoroethanol 36.45
    methyl butyrate 10.48

    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