Madlongiside C

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  • Identifiers

    CAS number
    67258-70-2

    Molecular formula
    C35H56O10

    SMILES
    C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 56.66%
    Odorless 42.58%
    Spicy 38.91%
    Balsamic 34.43%
    Amber 34.12%
    Sweet 29.86%
    Dry 29.49%
    Cedar 28.56%
    Cooling 26.85%
    Mint 25.35%

     

    Flavor
    Bitter 69.86%
    Sweet-like 24.9%
    Odorless 24.73%
    Pine 24.36%
    Fatty 23.46%
    Cedarleaf 23.16%
    Sweet 22.87%
    Patchouli 22.38%
    Bland 21.91%
    Soil 21.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    4.98 (weak acid)

    Molecular weight
    636.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    616°C

    Flash point

    • 292.17 ˚C est.

  • Synonyms

    • Madlongiside C
    • CHEMBL491706
    • SCHEMBL29934373
    • CHEBI:168032
    • DTXSID601022134
    • 67258-70-2
    • [(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • 67258-70-2

  • Applications

    Madlongiside C (CAS 67258-70-2) is viewed as a compound with potential applications across multiple industrial sectors. In perfumery and cosmetics, it may be used as a fragrance ingredient or odor fixative; in household and cleaning products, it could function as a fragrance component or odorant additive; in industrial manufacturing, it can serve as an organic synthesis intermediate or a precursor to specialty chemicals; in polymers/plastics and coatings, it could be explored as a specialty additive or processing aid for new formulations; in pharmaceuticals and agriculture, it may be evaluated as a synthetic intermediate for related compounds, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.01
    methanol 27.05
    isopropanol 0.86
    water 0.03
    ethyl acetate 1.05
    n-propanol 1.95
    acetone 2.96
    n-butanol 0.82
    acetonitrile 0.6
    DMF 26.2
    toluene 0.53
    isobutanol 0.64
    1,4-dioxane 9.52
    methyl acetate 1.28
    THF 21.88
    2-butanone 1.96
    n-pentanol 0.69
    sec-butanol 0.47
    n-hexane 0.03
    ethylene glycol 3.17
    NMP 25.52
    cyclohexane 0.04
    DMSO 23.44
    n-butyl acetate 0.56
    n-octanol 0.56
    chloroform 2.37
    n-propyl acetate 0.54
    acetic acid 13.33
    dichloromethane 1.93
    cyclohexanone 3.2
    propylene glycol 3.6
    isopropyl acetate 0.68
    DMAc 16.79
    2-ethoxyethanol 8.06
    isopentanol 0.46
    n-heptane 0.03
    ethyl formate 1.49
    1,2-dichloroethane 1.06
    n-hexanol 0.61
    2-methoxyethanol 22.27
    isobutyl acetate 0.32
    tetrachloromethane 0.28
    n-pentyl acetate 1.18
    transcutol 11.55
    n-heptanol 0.84
    ethylbenzene 0.21
    MIBK 0.73
    2-propoxyethanol 10.03
    tert-butanol 0.54
    MTBE 0.46
    2-butoxyethanol 6.02
    propionic acid 2.06
    o-xylene 0.31
    formic acid 17.21
    diethyl ether 0.89
    m-xylene 0.35
    p-xylene 0.21
    chlorobenzene 0.45
    dimethyl carbonate 2.63
    n-octane 0.02
    formamide 12.53
    cyclopentanone 8.89
    2-pentanone 1.29
    anisole 0.92
    cyclopentyl methyl ether 2.49
    gamma-butyrolactone 9.69
    1-methoxy-2-propanol 9.56
    pyridine 4.61
    3-pentanone 1.06
    furfural 9.1
    n-dodecane 0.01
    diethylene glycol 11.36
    diisopropyl ether 0.14
    tert-amyl alcohol 0.42
    acetylacetone 3.23
    n-hexadecane 0.01
    acetophenone 1.23
    methyl propionate 1.86
    isopentyl acetate 0.53
    trichloroethylene 3.04
    n-nonanol 0.56
    cyclohexanol 0.55
    benzyl alcohol 1.59
    2-ethylhexanol 0.24
    isooctanol 0.52
    dipropyl ether 0.54
    1,2-dichlorobenzene 0.42
    ethyl lactate 1.11
    propylene carbonate 2.54
    n-methylformamide 12.25
    2-pentanol 0.3
    n-pentane 0.03
    1-propoxy-2-propanol 3.69
    1-methoxy-2-propyl acetate 2.67
    2-(2-methoxypropoxy) propanol 3.16
    mesitylene 0.17
    ε-caprolactone 3.3
    p-cymene 0.14
    epichlorohydrin 9.81
    1,1,1-trichloroethane 0.43
    2-aminoethanol 6.09
    morpholine-4-carbaldehyde 30.9
    sulfolane 19.02
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.74
    n-hexyl acetate 1.2
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.32
    sec-butyl acetate 0.31
    tert-butyl acetate 0.82
    decalin 0.02
    glycerin 10.13
    diglyme 10.58
    acrylic acid 4.01
    isopropyl myristate 0.23
    n-butyric acid 1.98
    acetyl acetate 1.09
    di(2-ethylhexyl) phthalate 0.63
    ethyl propionate 0.55
    nitromethane 12.04
    1,2-diethoxyethane 1.64
    benzonitrile 0.65
    trioctyl phosphate 0.39
    1-bromopropane 0.32
    gamma-valerolactone 25.44
    n-decanol 0.27
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.22
    propionitrile 0.52
    vinylene carbonate 2.97
    1,1,2-trichlorotrifluoroethane 14.45
    DMS 1.38
    cumene 0.13
    2-octanol 0.32
    2-hexanone 0.7
    octyl acetate 0.47
    limonene 0.18
    1,2-dimethoxyethane 7.58
    ethyl orthosilicate 0.35
    tributyl phosphate 0.29
    diacetone alcohol 2.37
    N,N-dimethylaniline 0.8
    acrylonitrile 1.2
    aniline 1.02
    1,3-propanediol 5.17
    bromobenzene 0.36
    dibromomethane 0.88
    1,1,2,2-tetrachloroethane 2.27
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 0.59
    diisobutyl methanol 0.14
    2-phenylethanol 1.47
    styrene 0.22
    dioctyl adipate 0.56
    dimethyl sulfate 5.49
    ethyl butyrate 0.47
    methyl lactate 4.18
    butyl lactate 1.82
    diethyl carbonate 0.29
    propanediol butyl ether 6.08
    triethyl orthoformate 0.57
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.34
    morpholine 11.59
    tert-butylamine 0.16
    n-dodecanol 0.14
    dimethoxymethane 16.18
    ethylene carbonate 1.92
    cyrene 6.7
    2-ethoxyethyl acetate 3.21
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.7
    4-methylpyridine 1.9
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.14
    DEF 2.71
    dimethyl isosorbide 5.95
    tetrachloroethylene 1.94
    eugenol 2.69
    triacetin 2.26
    span 80 3.14
    1,4-butanediol 1.7
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 0.4
    methyl formate 8.77
    2-methyl-1-butanol 0.46
    n-decane 0.03
    butyronitrile 0.4
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.14
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 1.3
    tetrahydropyran 2.33
    tert-amyl methyl ether 0.42
    2,5,8-trioxanonane 5.71
    1-hexene 0.1
    2-isopropoxyethanol 2.97
    2,2,2-trifluoroethanol 3.41
    methyl butyrate 0.76

    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