6-Hydroxysandoricin

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  • Identifiers

    CAS number
    133585-56-5

    Molecular formula
    C31H40O12

    SMILES
    CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)C(C(=O)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.88%
    Sweet 26.66%
    Mint 25.75%
    Cooling 21.78%
    Fruity 21.11%
    Caramellic 20.19%
    Woody 18.47%
    Fresh 17.29%
    Nutty 16.64%
    Spicy 16.63%

     

    Flavor
    Bitter 87.62%
    Odorless 23.55%
    Bland 23.37%
    Sweet-like 21.36%
    Fruity 21.01%
    Cedarleaf 20.67%
    Ripe apricot 19.54%
    Parsley 19.51%
    Heather 19.28%
    Broom 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    3.72 (weak acid)

    Molecular weight
    604.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    468°C

    Melting point expt.

    • 250 - 255 °C

    Flash point

    • 196.99 ˚C est.

  • Synonyms

    • 6-Hydroxysandoricin
    • Sandoricin, 6-hydroxy-
    • methyl 2-[5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
    • methyl 2-(5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo(7.7.1.01,12.03,8)heptadecan-7-yl)-2-hydroxyacetate
    • RefChem:104852
    • 133585-56-5
    • SCHEMBL29934429
    • DTXSID60928195
    • CHEBI:185400
    • 4-(Furan-3-yl)-1-hydroxy-8-(1-hydroxy-2-methoxy-2-oxoethyl)-4a,7a,9,9-tetramethyl-13-methylidene-2-oxododecahydro-4H-7,12a-methanopyrano[4,3-b][1]benzoxocine-5,10-diyl diacetate
    • D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1alpha,3beta,5beta,6R,12alpha,13alpha,14beta,15beta,17aalpha)-
    • methyl 2-[5,11-diacetyloxy-13-(uran-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
    • 133585-56-5

  • Applications

    6-Hydroxysandoricin (CAS 133585-56-5) is typically viewed as a building block in organic synthesis and can be used as an intermediate for applications in pharmaceutical and agrochemical synthesis. In perfumery and cosmetics, it may serve as an odor-active component or fragrance intermediate. In polymers and coatings, it can act as a functional additive or stabilizer to improve resin compatibility. It may also be evaluated for processing aid roles or as a component in cleaning and household formulations where it contributes scent or odor-control effects. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.94
    methanol 72.94
    isopropanol 16.18
    water 0.18
    ethyl acetate 24.02
    n-propanol 24.47
    acetone 86.57
    n-butanol 13.76
    acetonitrile 29.66
    DMF 257.15
    toluene 6.82
    isobutanol 12.13
    1,4-dioxane 74.54
    methyl acetate 41.26
    THF 169.91
    2-butanone 48.0
    n-pentanol 10.77
    sec-butanol 10.43
    n-hexane 0.15
    ethylene glycol 19.88
    NMP 322.2
    cyclohexane 0.27
    DMSO 272.77
    n-butyl acetate 9.59
    n-octanol 3.01
    chloroform 75.94
    n-propyl acetate 13.65
    acetic acid 250.2
    dichloromethane 65.75
    cyclohexanone 70.08
    propylene glycol 24.5
    isopropyl acetate 12.13
    DMAc 238.52
    2-ethoxyethanol 52.06
    isopentanol 7.76
    n-heptane 0.12
    ethyl formate 32.32
    1,2-dichloroethane 34.3
    n-hexanol 5.52
    2-methoxyethanol 105.58
    isobutyl acetate 6.73
    tetrachloromethane 6.09
    n-pentyl acetate 9.03
    transcutol 28.19
    n-heptanol 4.16
    ethylbenzene 2.01
    MIBK 10.74
    2-propoxyethanol 46.77
    tert-butanol 10.05
    MTBE 4.98
    2-butoxyethanol 22.45
    propionic acid 52.48
    o-xylene 3.32
    formic acid 126.32
    diethyl ether 9.07
    m-xylene 3.11
    p-xylene 3.14
    chlorobenzene 12.74
    dimethyl carbonate 45.08
    n-octane 0.07
    formamide 127.87
    cyclopentanone 154.99
    2-pentanone 27.29
    anisole 8.99
    cyclopentyl methyl ether 21.27
    gamma-butyrolactone 209.72
    1-methoxy-2-propanol 59.75
    pyridine 67.45
    3-pentanone 20.83
    furfural 130.4
    n-dodecane 0.06
    diethylene glycol 49.8
    diisopropyl ether 1.25
    tert-amyl alcohol 7.59
    acetylacetone 53.2
    n-hexadecane 0.07
    acetophenone 17.43
    methyl propionate 37.92
    isopentyl acetate 6.96
    trichloroethylene 96.55
    n-nonanol 3.25
    cyclohexanol 9.75
    benzyl alcohol 18.72
    2-ethylhexanol 2.31
    isooctanol 2.88
    dipropyl ether 3.62
    1,2-dichlorobenzene 11.25
    ethyl lactate 14.89
    propylene carbonate 61.22
    n-methylformamide 141.61
    2-pentanol 4.79
    n-pentane 0.2
    1-propoxy-2-propanol 20.71
    1-methoxy-2-propyl acetate 19.83
    2-(2-methoxypropoxy) propanol 15.5
    mesitylene 1.34
    ε-caprolactone 64.15
    p-cymene 1.17
    epichlorohydrin 149.74
    1,1,1-trichloroethane 20.93
    2-aminoethanol 35.23
    morpholine-4-carbaldehyde 196.54
    sulfolane 267.47
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 42.47
    n-hexyl acetate 8.82
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 18.75
    sec-butyl acetate 6.45
    tert-butyl acetate 9.72
    decalin 0.17
    glycerin 52.52
    diglyme 39.0
    acrylic acid 82.13
    isopropyl myristate 2.3
    n-butyric acid 46.94
    acetyl acetate 28.97
    di(2-ethylhexyl) phthalate 6.39
    ethyl propionate 11.41
    nitromethane 296.08
    1,2-diethoxyethane 8.42
    benzonitrile 17.05
    trioctyl phosphate 3.77
    1-bromopropane 9.06
    gamma-valerolactone 236.73
    n-decanol 1.97
    triethyl phosphate 4.8
    4-methyl-2-pentanol 2.49
    propionitrile 19.47
    vinylene carbonate 67.87
    1,1,2-trichlorotrifluoroethane 130.57
    DMS 14.82
    cumene 1.22
    2-octanol 2.09
    2-hexanone 15.59
    octyl acetate 4.5
    limonene 1.59
    1,2-dimethoxyethane 55.39
    ethyl orthosilicate 3.85
    tributyl phosphate 3.7
    diacetone alcohol 23.93
    N,N-dimethylaniline 6.69
    acrylonitrile 41.13
    aniline 16.62
    1,3-propanediol 44.72
    bromobenzene 10.53
    dibromomethane 29.44
    1,1,2,2-tetrachloroethane 63.74
    2-methyl-cyclohexyl acetate 7.38
    tetrabutyl urea 6.83
    diisobutyl methanol 1.08
    2-phenylethanol 13.16
    styrene 2.89
    dioctyl adipate 6.5
    dimethyl sulfate 91.99
    ethyl butyrate 7.01
    methyl lactate 46.08
    butyl lactate 11.22
    diethyl carbonate 5.45
    propanediol butyl ether 19.41
    triethyl orthoformate 5.67
    p-tert-butyltoluene 1.06
    methyl 4-tert-butylbenzoate 13.87
    morpholine 91.92
    tert-butylamine 2.4
    n-dodecanol 1.15
    dimethoxymethane 101.07
    ethylene carbonate 49.45
    cyrene 50.08
    2-ethoxyethyl acetate 19.46
    2-ethylhexyl acetate 5.41
    1,2,4-trichlorobenzene 18.96
    4-methylpyridine 41.63
    dibutyl ether 1.74
    2,6-dimethyl-4-heptanol 1.08
    DEF 41.95
    dimethyl isosorbide 31.52
    tetrachloroethylene 38.29
    eugenol 15.22
    triacetin 17.22
    span 80 15.37
    1,4-butanediol 19.79
    1,1-dichloroethane 24.89
    2-methyl-1-pentanol 6.45
    methyl formate 115.39
    2-methyl-1-butanol 8.75
    n-decane 0.12
    butyronitrile 12.71
    3,7-dimethyl-1-octanol 2.13
    1-chlorooctane 1.04
    1-chlorotetradecane 0.31
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.12
    cyclooctane 0.09
    cyclopentanol 24.19
    tetrahydropyran 29.34
    tert-amyl methyl ether 4.47
    2,5,8-trioxanonane 24.97
    1-hexene 1.03
    2-isopropoxyethanol 23.91
    2,2,2-trifluoroethanol 84.65
    methyl butyrate 16.84

    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