Cyclopassifloic acid B

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  • Identifiers

    CAS number
    292167-35-2

    Molecular formula
    C31H52O6

    SMILES
    C[C@H](CC[C@@](CO)(C(C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O)O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.23%
    Amber 45.3%
    Sandalwood 44.66%
    Balsamic 38.48%
    Dry 37.27%
    Odorless 35.2%
    Cedar 34.01%
    Musk 30.28%
    Cooling 29.01%
    Mint 27.53%

     

    Flavor
    Bitter 38.92%
    Woody 33.15%
    Odorless 31.98%
    Sweet 26.8%
    Mild 25.74%
    Pine 23.26%
    Herbal 22.69%
    Sweet-like 22.66%
    Sandalwood 22.45%
    Bland 22.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.31 (neutral)

    Molecular weight
    520.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    103°C

    Flash point

    • 238.05 ˚C est.

  • Synonyms

    • Cyclopassifloic acid B
    • CHEBI:168423
    • DTXSID501131633
    • 292167-35-2
    • (24S)-1alpha,3beta,24-Trihydroxy-24-(hydroxymethyl)-9beta-9,19-cyclolanostan-28-oic acid
    • (1I+/-,3I(2),4I+/-,24S)-1,3,24-Trihydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acid
    • (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
    • 292167-35-2

  • Applications

    Cyclopassifloic acid B (CAS 292167-35-2) is used as a building block in organic synthesis with potential across several industries: commonly evaluated as an intermediate in pharmaceutical and agrochemical development; may serve as a precursor for specialty polymers and coating formulations; can be utilized to prepare fragrance-related intermediates for perfumery and flavor chemistry; may function as a starting material in cosmetic/personal care ingredient synthesis; and could play a role in surface-treatment or stabilizer applications in plastics and resin formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.93
    methanol 16.96
    isopropanol 3.16
    water 0.03
    ethyl acetate 2.41
    n-propanol 5.06
    acetone 5.15
    n-butanol 2.69
    acetonitrile 1.15
    DMF 25.74
    toluene 0.66
    isobutanol 2.13
    1,4-dioxane 11.83
    methyl acetate 2.4
    THF 32.2
    2-butanone 4.03
    n-pentanol 1.89
    sec-butanol 1.47
    n-hexane 0.07
    ethylene glycol 3.46
    NMP 18.22
    cyclohexane 0.06
    DMSO 27.68
    n-butyl acetate 2.1
    n-octanol 1.22
    chloroform 4.09
    n-propyl acetate 1.54
    acetic acid 10.32
    dichloromethane 2.96
    cyclohexanone 5.74
    propylene glycol 4.67
    isopropyl acetate 2.16
    DMAc 21.4
    2-ethoxyethanol 11.7
    isopentanol 1.61
    n-heptane 0.06
    ethyl formate 2.14
    1,2-dichloroethane 1.79
    n-hexanol 2.2
    2-methoxyethanol 26.84
    isobutyl acetate 1.19
    tetrachloromethane 0.71
    n-pentyl acetate 3.14
    transcutol 18.75
    n-heptanol 2.18
    ethylbenzene 0.4
    MIBK 2.45
    2-propoxyethanol 20.25
    tert-butanol 2.07
    MTBE 1.63
    2-butoxyethanol 11.88
    propionic acid 3.58
    o-xylene 0.46
    formic acid 8.53
    diethyl ether 2.36
    m-xylene 0.54
    p-xylene 0.41
    chlorobenzene 0.77
    dimethyl carbonate 3.37
    n-octane 0.04
    formamide 9.41
    cyclopentanone 11.39
    2-pentanone 3.32
    anisole 1.81
    cyclopentyl methyl ether 4.07
    gamma-butyrolactone 12.41
    1-methoxy-2-propanol 19.52
    pyridine 5.15
    3-pentanone 2.21
    furfural 8.85
    n-dodecane 0.02
    diethylene glycol 16.41
    diisopropyl ether 0.5
    tert-amyl alcohol 1.41
    acetylacetone 5.76
    n-hexadecane 0.02
    acetophenone 2.26
    methyl propionate 3.3
    isopentyl acetate 2.17
    trichloroethylene 4.48
    n-nonanol 1.37
    cyclohexanol 1.19
    benzyl alcohol 2.49
    2-ethylhexanol 0.86
    isooctanol 1.57
    dipropyl ether 1.42
    1,2-dichlorobenzene 0.8
    ethyl lactate 2.23
    propylene carbonate 3.9
    n-methylformamide 10.49
    2-pentanol 1.07
    n-pentane 0.07
    1-propoxy-2-propanol 9.87
    1-methoxy-2-propyl acetate 6.93
    2-(2-methoxypropoxy) propanol 6.78
    mesitylene 0.3
    ε-caprolactone 5.69
    p-cymene 0.36
    epichlorohydrin 13.02
    1,1,1-trichloroethane 1.13
    2-aminoethanol 8.53
    morpholine-4-carbaldehyde 24.52
    sulfolane 18.55
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 5.23
    n-hexyl acetate 3.08
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 10.16
    sec-butyl acetate 1.04
    tert-butyl acetate 2.84
    decalin 0.05
    glycerin 11.36
    diglyme 18.22
    acrylic acid 4.68
    isopropyl myristate 0.7
    n-butyric acid 4.3
    acetyl acetate 2.22
    di(2-ethylhexyl) phthalate 1.57
    ethyl propionate 1.52
    nitromethane 11.62
    1,2-diethoxyethane 3.63
    benzonitrile 1.17
    trioctyl phosphate 1.08
    1-bromopropane 0.69
    gamma-valerolactone 27.03
    n-decanol 0.69
    triethyl phosphate 1.16
    4-methyl-2-pentanol 0.85
    propionitrile 1.24
    vinylene carbonate 4.21
    1,1,2-trichlorotrifluoroethane 15.04
    DMS 2.98
    cumene 0.32
    2-octanol 0.92
    2-hexanone 1.99
    octyl acetate 1.24
    limonene 0.47
    1,2-dimethoxyethane 12.03
    ethyl orthosilicate 1.14
    tributyl phosphate 0.86
    diacetone alcohol 5.65
    N,N-dimethylaniline 1.46
    acrylonitrile 1.99
    aniline 1.66
    1,3-propanediol 10.4
    bromobenzene 0.58
    dibromomethane 1.55
    1,1,2,2-tetrachloroethane 3.41
    2-methyl-cyclohexyl acetate 1.73
    tetrabutyl urea 1.41
    diisobutyl methanol 0.53
    2-phenylethanol 3.47
    styrene 0.4
    dioctyl adipate 1.41
    dimethyl sulfate 7.16
    ethyl butyrate 1.47
    methyl lactate 5.86
    butyl lactate 4.15
    diethyl carbonate 0.98
    propanediol butyl ether 9.01
    triethyl orthoformate 1.72
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 4.8
    morpholine 16.59
    tert-butylamine 0.62
    n-dodecanol 0.35
    dimethoxymethane 21.58
    ethylene carbonate 3.28
    cyrene 8.38
    2-ethoxyethyl acetate 7.41
    2-ethylhexyl acetate 1.49
    1,2,4-trichlorobenzene 1.22
    4-methylpyridine 3.03
    dibutyl ether 0.69
    2,6-dimethyl-4-heptanol 0.53
    DEF 4.43
    dimethyl isosorbide 10.5
    tetrachloroethylene 2.98
    eugenol 5.95
    triacetin 4.72
    span 80 6.31
    1,4-butanediol 3.24
    1,1-dichloroethane 1.16
    2-methyl-1-pentanol 1.19
    methyl formate 6.28
    2-methyl-1-butanol 1.48
    n-decane 0.05
    butyronitrile 1.14
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 0.3
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 2.47
    tetrahydropyran 4.28
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 10.39
    1-hexene 0.24
    2-isopropoxyethanol 5.75
    2,2,2-trifluoroethanol 4.31
    methyl butyrate 1.92

    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