Periandrin I

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  • Identifiers

    CAS number
    73565-59-0

    Molecular formula
    C42H62O16

    SMILES
    C[C@]12CC[C@](C=C1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C=O)C)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.04%
    Spicy 32.84%
    Woody 31.19%
    Cooling 23.77%
    Dry 22.99%
    Balsamic 22.14%
    Amber 21.2%
    Mint 18.9%
    Warm 18.08%
    Cedar 17.99%

     

    Flavor
    Bitter 67.19%
    Odorless 31.11%
    Bland 24.59%
    Sweet-like 24.19%
    Cedarleaf 22.27%
    Ripe apricot 20.71%
    Patchouli 20.32%
    Red fruit 20.28%
    Sandalwood 20.24%
    Pleasant 20.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    1.3 (strong acid)

    Molecular weight
    822.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    990°C

    Flash point

    • 282.22 ˚C est.

  • Synonyms

    • Periandrin I
    • 73565-59-0
    • 6-(6-carboxy-2-((11-carboxy-14b-formyl-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-formyl-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:171714
    • DTXSID501317944
    • 30-Hydroxy-25,30-dioxoolean-18-en-3beta-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
    • 73565-59-0

  • Applications

    Periandrin I (CAS 73565-59-0) is primarily encountered as an organic building block and synthetic intermediate in chemical development, commonly used to prepare more complex molecules for pharmaceutical, agrochemical, and fine-chemicals applications. It is evaluated for potential roles in perfumery as a fragrance component, and in cosmetics/personal care formulations as a specialty ingredient. In industrial settings, it may serve as a precursor or additive in polymer or coatings chemistry, and as a reagent or stabilizer in various formulations. Its exact use is formulation- and regulation-dependent, and availability may vary by region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.72
    methanol 13.04
    isopropanol 0.61
    water 0.07
    ethyl acetate 1.23
    n-propanol 0.94
    acetone 4.46
    n-butanol 0.37
    acetonitrile 1.21
    DMF 46.32
    toluene 0.42
    isobutanol 0.34
    1,4-dioxane 7.11
    methyl acetate 2.06
    THF 13.04
    2-butanone 2.03
    n-pentanol 0.33
    sec-butanol 0.32
    n-hexane 0.02
    ethylene glycol 4.17
    NMP 29.7
    cyclohexane 0.03
    DMSO 38.65
    n-butyl acetate 0.42
    n-octanol 0.31
    chloroform 1.88
    n-propyl acetate 0.62
    acetic acid 17.25
    dichloromethane 1.89
    cyclohexanone 1.92
    propylene glycol 3.31
    isopropyl acetate 0.7
    DMAc 30.22
    2-ethoxyethanol 5.73
    isopentanol 0.19
    n-heptane 0.02
    ethyl formate 1.42
    1,2-dichloroethane 1.04
    n-hexanol 0.24
    2-methoxyethanol 15.02
    isobutyl acetate 0.28
    tetrachloromethane 0.25
    n-pentyl acetate 0.76
    transcutol 8.11
    n-heptanol 0.37
    ethylbenzene 0.16
    MIBK 0.6
    2-propoxyethanol 5.51
    tert-butanol 0.4
    MTBE 0.35
    2-butoxyethanol 2.97
    propionic acid 1.94
    o-xylene 0.27
    formic acid 22.07
    diethyl ether 0.66
    m-xylene 0.28
    p-xylene 0.21
    chlorobenzene 0.36
    dimethyl carbonate 4.82
    n-octane 0.02
    formamide 19.33
    cyclopentanone 6.8
    2-pentanone 1.2
    anisole 0.79
    cyclopentyl methyl ether 1.51
    gamma-butyrolactone 10.23
    1-methoxy-2-propanol 7.6
    pyridine 3.69
    3-pentanone 1.12
    furfural 9.5
    n-dodecane 0.01
    diethylene glycol 9.08
    diisopropyl ether 0.11
    tert-amyl alcohol 0.27
    acetylacetone 4.71
    n-hexadecane 0.01
    acetophenone 1.27
    methyl propionate 2.52
    isopentyl acetate 0.29
    trichloroethylene 3.44
    n-nonanol 0.32
    cyclohexanol 0.27
    benzyl alcohol 1.03
    2-ethylhexanol 0.11
    isooctanol 0.22
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.38
    ethyl lactate 1.21
    propylene carbonate 2.39
    n-methylformamide 15.6
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 2.57
    1-methoxy-2-propyl acetate 2.14
    2-(2-methoxypropoxy) propanol 2.08
    mesitylene 0.14
    ε-caprolactone 2.05
    p-cymene 0.09
    epichlorohydrin 8.2
    1,1,1-trichloroethane 0.51
    2-aminoethanol 3.65
    morpholine-4-carbaldehyde 27.85
    sulfolane 21.78
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.61
    n-hexyl acetate 0.77
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.38
    sec-butyl acetate 0.3
    tert-butyl acetate 0.78
    decalin 0.01
    glycerin 11.24
    diglyme 7.5
    acrylic acid 4.73
    isopropyl myristate 0.18
    n-butyric acid 1.28
    acetyl acetate 1.62
    di(2-ethylhexyl) phthalate 0.38
    ethyl propionate 0.7
    nitromethane 28.24
    1,2-diethoxyethane 1.35
    benzonitrile 0.6
    trioctyl phosphate 0.25
    1-bromopropane 0.23
    gamma-valerolactone 18.33
    n-decanol 0.18
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.11
    propionitrile 0.62
    vinylene carbonate 2.96
    1,1,2-trichlorotrifluoroethane 15.05
    DMS 1.48
    cumene 0.09
    2-octanol 0.2
    2-hexanone 0.62
    octyl acetate 0.36
    limonene 0.1
    1,2-dimethoxyethane 7.0
    ethyl orthosilicate 0.27
    tributyl phosphate 0.2
    diacetone alcohol 2.26
    N,N-dimethylaniline 0.73
    acrylonitrile 1.83
    aniline 0.76
    1,3-propanediol 2.81
    bromobenzene 0.31
    dibromomethane 0.68
    1,1,2,2-tetrachloroethane 2.56
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.49
    diisobutyl methanol 0.07
    2-phenylethanol 0.77
    styrene 0.19
    dioctyl adipate 0.45
    dimethyl sulfate 11.03
    ethyl butyrate 0.44
    methyl lactate 4.98
    butyl lactate 1.09
    diethyl carbonate 0.29
    propanediol butyl ether 3.64
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.67
    morpholine 6.96
    tert-butylamine 0.11
    n-dodecanol 0.11
    dimethoxymethane 19.19
    ethylene carbonate 1.62
    cyrene 5.72
    2-ethoxyethyl acetate 2.38
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.64
    4-methylpyridine 1.68
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.07
    DEF 2.81
    dimethyl isosorbide 4.37
    tetrachloroethylene 1.92
    eugenol 1.83
    triacetin 2.1
    span 80 2.04
    1,4-butanediol 1.27
    1,1-dichloroethane 0.53
    2-methyl-1-pentanol 0.17
    methyl formate 14.4
    2-methyl-1-butanol 0.2
    n-decane 0.02
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.77
    tetrahydropyran 1.28
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 4.45
    1-hexene 0.06
    2-isopropoxyethanol 2.21
    2,2,2-trifluoroethanol 5.64
    methyl butyrate 0.86

    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