Mozambioside

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  • Identifiers

    CAS number
    70717-95-2

    Molecular formula
    C26H36O10

    SMILES
    CC12CC(=O)C3=C(C1CCC45C2C(CC(C4)C(C5)(CO)O)OC6C(C(C(C(O6)CO)O)O)O)C=CO3

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.13%
    Sweet 29.84%
    Cooling 23.74%
    Woody 23.18%
    Spicy 22.21%
    Vanilla 20.95%
    Milky 18.13%
    Savory 17.31%
    Mint 17.3%
    Clean 16.83%

     

    Flavor
    Bitter 71.89%
    Fatty 35.3%
    Sweet-like 27.31%
    Odorless 26.96%
    Bland 25.6%
    Cedarleaf 21.87%
    Cauliflower 20.69%
    Alkaline 20.33%
    Metallic 20.28%
    Naphthalic 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    5.61 (weak acid)

    Molecular weight
    508.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    918°C

    Melting point expt.

    • 179.4 - 180.3 °C

    Flash point

    • 263.91 ˚C est.

  • Synonyms

    • Mozambioside
    • 17-hydroxy-17-(hydroxymethyl)-12-methyl-14-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-8-oxapentacyclo(14.2.1.01,13.04,12.05,9)nonadeca-5(9),6-dien-10-one
    • 17-hydroxy-17-(hydroxymethyl)-12-methyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
    • RefChem:1090032
    • SCHEMBL29397875
    • CHEBI:168885
    • DTXSID601098460
    • (3bS,5aS,7R,8S,10S,10aR,10bR)-10-(I(2)-D-Glucopyranosyloxy)-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-7-(hydroxymethyl)-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one
    • 70717-95-2
    • 70717-95-2

  • Applications

    Mozambioside (CAS 70717-95-2) is used across multiple industries as an odorant and fragrance fixative in perfumery, as a fragrance component in cosmetics/personal care and in household products, as an industrial solvent or processing aid in general manufacturing, as an intermediate in organic synthesis for pharmaceutical or agrochemical applications, as a plasticizer or stabilizer in certain polymer formulations, and as a processing aid or additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.2
    methanol 55.83
    isopropanol 1.03
    water 0.52
    ethyl acetate 2.35
    n-propanol 2.51
    acetone 5.64
    n-butanol 1.26
    acetonitrile 1.75
    DMF 44.59
    toluene 0.69
    isobutanol 0.83
    1,4-dioxane 10.92
    methyl acetate 2.5
    THF 23.07
    2-butanone 2.99
    n-pentanol 0.8
    sec-butanol 0.61
    n-hexane 0.03
    ethylene glycol 14.71
    NMP 43.33
    cyclohexane 0.06
    DMSO 62.06
    n-butyl acetate 1.12
    n-octanol 1.11
    chloroform 3.15
    n-propyl acetate 0.97
    acetic acid 40.44
    dichloromethane 3.28
    cyclohexanone 5.81
    propylene glycol 6.69
    isopropyl acetate 1.36
    DMAc 30.42
    2-ethoxyethanol 12.99
    isopentanol 0.67
    n-heptane 0.06
    ethyl formate 3.64
    1,2-dichloroethane 1.87
    n-hexanol 0.99
    2-methoxyethanol 47.24
    isobutyl acetate 0.54
    tetrachloromethane 0.42
    n-pentyl acetate 2.33
    transcutol 22.95
    n-heptanol 1.46
    ethylbenzene 0.24
    MIBK 1.39
    2-propoxyethanol 15.89
    tert-butanol 0.56
    MTBE 0.38
    2-butoxyethanol 9.97
    propionic acid 4.51
    o-xylene 0.43
    formic acid 99.38
    diethyl ether 1.18
    m-xylene 0.49
    p-xylene 0.25
    chlorobenzene 0.72
    dimethyl carbonate 7.38
    n-octane 0.04
    formamide 63.35
    cyclopentanone 13.79
    2-pentanone 2.57
    anisole 1.08
    cyclopentyl methyl ether 3.71
    gamma-butyrolactone 20.03
    1-methoxy-2-propanol 17.27
    pyridine 6.29
    3-pentanone 1.81
    furfural 22.56
    n-dodecane 0.03
    diethylene glycol 26.78
    diisopropyl ether 0.21
    tert-amyl alcohol 0.42
    acetylacetone 7.47
    n-hexadecane 0.03
    acetophenone 2.06
    methyl propionate 4.06
    isopentyl acetate 1.01
    trichloroethylene 5.54
    n-nonanol 1.21
    cyclohexanol 0.87
    benzyl alcohol 2.48
    2-ethylhexanol 0.48
    isooctanol 0.9
    dipropyl ether 0.9
    1,2-dichlorobenzene 0.74
    ethyl lactate 2.75
    propylene carbonate 6.09
    n-methylformamide 30.22
    2-pentanol 0.46
    n-pentane 0.04
    1-propoxy-2-propanol 6.13
    1-methoxy-2-propyl acetate 5.22
    2-(2-methoxypropoxy) propanol 5.85
    mesitylene 0.25
    ε-caprolactone 6.42
    p-cymene 0.28
    epichlorohydrin 17.07
    1,1,1-trichloroethane 0.68
    2-aminoethanol 13.03
    morpholine-4-carbaldehyde 51.03
    sulfolane 38.86
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.47
    n-hexyl acetate 2.29
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.15
    sec-butyl acetate 0.55
    tert-butyl acetate 1.43
    decalin 0.03
    glycerin 30.25
    diglyme 18.59
    acrylic acid 11.67
    isopropyl myristate 0.56
    n-butyric acid 4.55
    acetyl acetate 2.66
    di(2-ethylhexyl) phthalate 1.38
    ethyl propionate 1.07
    nitromethane 44.6
    1,2-diethoxyethane 2.91
    benzonitrile 1.47
    trioctyl phosphate 0.99
    1-bromopropane 0.46
    gamma-valerolactone 47.17
    n-decanol 0.69
    triethyl phosphate 0.81
    4-methyl-2-pentanol 0.34
    propionitrile 1.08
    vinylene carbonate 8.41
    1,1,2-trichlorotrifluoroethane 31.03
    DMS 3.23
    cumene 0.16
    2-octanol 0.6
    2-hexanone 1.03
    octyl acetate 1.13
    limonene 0.38
    1,2-dimethoxyethane 9.63
    ethyl orthosilicate 0.73
    tributyl phosphate 0.77
    diacetone alcohol 4.73
    N,N-dimethylaniline 0.92
    acrylonitrile 3.16
    aniline 1.8
    1,3-propanediol 11.17
    bromobenzene 0.54
    dibromomethane 1.37
    1,1,2,2-tetrachloroethane 3.4
    2-methyl-cyclohexyl acetate 1.09
    tetrabutyl urea 1.39
    diisobutyl methanol 0.28
    2-phenylethanol 2.74
    styrene 0.27
    dioctyl adipate 1.34
    dimethyl sulfate 14.56
    ethyl butyrate 1.0
    methyl lactate 12.23
    butyl lactate 3.74
    diethyl carbonate 0.68
    propanediol butyl ether 9.62
    triethyl orthoformate 1.15
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 4.27
    morpholine 13.4
    tert-butylamine 0.16
    n-dodecanol 0.39
    dimethoxymethane 29.16
    ethylene carbonate 5.04
    cyrene 12.11
    2-ethoxyethyl acetate 6.44
    2-ethylhexyl acetate 0.73
    1,2,4-trichlorobenzene 1.2
    4-methylpyridine 2.9
    dibutyl ether 0.5
    2,6-dimethyl-4-heptanol 0.28
    DEF 5.49
    dimethyl isosorbide 10.99
    tetrachloroethylene 3.34
    eugenol 5.65
    triacetin 5.01
    span 80 5.98
    1,4-butanediol 3.19
    1,1-dichloroethane 0.75
    2-methyl-1-pentanol 0.48
    methyl formate 25.82
    2-methyl-1-butanol 0.64
    n-decane 0.06
    butyronitrile 0.81
    3,7-dimethyl-1-octanol 0.61
    1-chlorooctane 0.29
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.82
    tetrahydropyran 2.9
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 11.43
    1-hexene 0.1
    2-isopropoxyethanol 4.42
    2,2,2-trifluoroethanol 14.72
    methyl butyrate 1.46

    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