Periandrin III

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  • Identifiers

    CAS number
    74256-70-5

    Molecular formula
    C42H64O16

    SMILES
    CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)CO)CCC6C3(CCC7(C6=CC(CC7)(C)C(=O)O)C)C)C)C

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  • Odor profile

    Fragrance
    Odorless 53.83%
    Woody 34.87%
    Spicy 32.74%
    Balsamic 26.78%
    Dry 25.73%
    Cooling 25.49%
    Amber 24.74%
    Sweet 22.26%
    Mint 20.64%
    Warm 20.15%

     

    Flavor
    Bitter 61.86%
    Odorless 34.0%
    Sweet-like 25.57%
    Bland 25.51%
    Cedarleaf 22.03%
    Fatty 21.61%
    Patchouli 20.78%
    Sweet 20.76%
    Ripe apricot 20.72%
    Sandalwood 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    1.81 (strong acid)

    Molecular weight
    824.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1099°C

    Melting point expt.

    • 300 °C

    Flash point

    • 288.44 ˚C est.

  • Synonyms

    • Periandrin III
    • 74256-70-5
    • 6-(6-carboxy-2-((11-carboxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl)oxy)-4,5-dihydroxyoxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • 6-[6-carboxy-2-[[11-carboxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • RefChem:171715
    • SCHEMBL29511853
    • DTXSID701317295
    • 25,29-Dihydroxy-29-oxoolean-18-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid
    • 74256-70-5

  • Applications

    Periandrin III (CAS 74256-70-5) may be used as an odorant or fragrance ingredient in perfumery and consumer products to impart or adjust aroma, and can serve as a fragrance component in cosmetics and personal care formulations. It is commonly evaluated as an organic synthesis intermediate, providing building blocks for pharmaceuticals, agrochemicals, or specialty chemicals. In industrial manufacturing, it may be explored as a precursor or functional component in polymer systems or coatings formulations, depending on purity and stability. Its use is subject to local regulations and formulation limits, and actual applications depend on purity, stability, and compatibility with other formulation ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.45
    methanol 11.91
    isopropanol 0.45
    water 0.07
    ethyl acetate 0.87
    n-propanol 0.73
    acetone 3.12
    n-butanol 0.27
    acetonitrile 0.86
    DMF 36.66
    toluene 0.28
    isobutanol 0.25
    1,4-dioxane 5.54
    methyl acetate 1.39
    THF 9.24
    2-butanone 1.42
    n-pentanol 0.25
    sec-butanol 0.24
    n-hexane 0.01
    ethylene glycol 3.67
    NMP 22.06
    cyclohexane 0.02
    DMSO 31.44
    n-butyl acetate 0.32
    n-octanol 0.28
    chloroform 1.18
    n-propyl acetate 0.43
    acetic acid 12.37
    dichloromethane 1.21
    cyclohexanone 1.36
    propylene glycol 2.62
    isopropyl acetate 0.49
    DMAc 23.26
    2-ethoxyethanol 4.6
    isopentanol 0.15
    n-heptane 0.02
    ethyl formate 1.03
    1,2-dichloroethane 0.71
    n-hexanol 0.18
    2-methoxyethanol 12.54
    isobutyl acetate 0.21
    tetrachloromethane 0.17
    n-pentyl acetate 0.64
    transcutol 7.4
    n-heptanol 0.32
    ethylbenzene 0.11
    MIBK 0.45
    2-propoxyethanol 4.46
    tert-butanol 0.3
    MTBE 0.24
    2-butoxyethanol 2.64
    propionic acid 1.35
    o-xylene 0.19
    formic acid 20.84
    diethyl ether 0.49
    m-xylene 0.2
    p-xylene 0.14
    chlorobenzene 0.23
    dimethyl carbonate 3.57
    n-octane 0.02
    formamide 16.64
    cyclopentanone 4.55
    2-pentanone 0.84
    anisole 0.56
    cyclopentyl methyl ether 1.09
    gamma-butyrolactone 6.79
    1-methoxy-2-propanol 5.92
    pyridine 2.55
    3-pentanone 0.8
    furfural 7.23
    n-dodecane 0.01
    diethylene glycol 8.02
    diisopropyl ether 0.09
    tert-amyl alcohol 0.2
    acetylacetone 3.44
    n-hexadecane 0.01
    acetophenone 0.92
    methyl propionate 1.75
    isopentyl acetate 0.24
    trichloroethylene 2.24
    n-nonanol 0.29
    cyclohexanol 0.19
    benzyl alcohol 0.71
    2-ethylhexanol 0.08
    isooctanol 0.2
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.26
    ethyl lactate 0.93
    propylene carbonate 1.58
    n-methylformamide 12.04
    2-pentanol 0.13
    n-pentane 0.02
    1-propoxy-2-propanol 2.08
    1-methoxy-2-propyl acetate 1.74
    2-(2-methoxypropoxy) propanol 1.9
    mesitylene 0.11
    ε-caprolactone 1.45
    p-cymene 0.07
    epichlorohydrin 5.74
    1,1,1-trichloroethane 0.31
    2-aminoethanol 3.01
    morpholine-4-carbaldehyde 22.69
    sulfolane 15.85
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.12
    n-hexyl acetate 0.63
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.08
    sec-butyl acetate 0.21
    tert-butyl acetate 0.58
    decalin 0.01
    glycerin 9.72
    diglyme 6.89
    acrylic acid 3.35
    isopropyl myristate 0.15
    n-butyric acid 0.86
    acetyl acetate 1.14
    di(2-ethylhexyl) phthalate 0.33
    ethyl propionate 0.5
    nitromethane 21.34
    1,2-diethoxyethane 1.15
    benzonitrile 0.42
    trioctyl phosphate 0.22
    1-bromopropane 0.15
    gamma-valerolactone 13.95
    n-decanol 0.16
    triethyl phosphate 0.24
    4-methyl-2-pentanol 0.09
    propionitrile 0.43
    vinylene carbonate 2.0
    1,1,2-trichlorotrifluoroethane 11.66
    DMS 1.19
    cumene 0.07
    2-octanol 0.18
    2-hexanone 0.44
    octyl acetate 0.29
    limonene 0.08
    1,2-dimethoxyethane 5.78
    ethyl orthosilicate 0.22
    tributyl phosphate 0.17
    diacetone alcohol 1.72
    N,N-dimethylaniline 0.54
    acrylonitrile 1.26
    aniline 0.51
    1,3-propanediol 2.18
    bromobenzene 0.2
    dibromomethane 0.45
    1,1,2,2-tetrachloroethane 1.66
    2-methyl-cyclohexyl acetate 0.26
    tetrabutyl urea 0.42
    diisobutyl methanol 0.06
    2-phenylethanol 0.58
    styrene 0.13
    dioctyl adipate 0.37
    dimethyl sulfate 8.55
    ethyl butyrate 0.34
    methyl lactate 3.84
    butyl lactate 0.91
    diethyl carbonate 0.22
    propanediol butyl ether 3.24
    triethyl orthoformate 0.4
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 1.47
    morpholine 5.37
    tert-butylamine 0.08
    n-dodecanol 0.09
    dimethoxymethane 15.69
    ethylene carbonate 1.07
    cyrene 4.79
    2-ethoxyethyl acetate 2.01
    2-ethylhexyl acetate 0.17
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 1.09
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.06
    DEF 2.04
    dimethyl isosorbide 3.94
    tetrachloroethylene 1.37
    eugenol 1.63
    triacetin 1.79
    span 80 1.73
    1,4-butanediol 0.97
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.13
    methyl formate 11.17
    2-methyl-1-butanol 0.15
    n-decane 0.02
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.08
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.54
    tetrahydropyran 0.94
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 4.08
    1-hexene 0.05
    2-isopropoxyethanol 1.77
    2,2,2-trifluoroethanol 4.34
    methyl butyrate 0.6

    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