Cyclopassifloic acid D

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  • Identifiers

    CAS number
    292167-37-4

    Molecular formula
    C30H48O6

    SMILES
    C[C@@H]([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)[C@@H](CC(=O)C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.4%
    Amber 41.78%
    Sandalwood 38.68%
    Balsamic 37.58%
    Cedar 35.19%
    Dry 35.18%
    Odorless 34.38%
    Cooling 27.68%
    Mint 27.0%
    Musk 26.62%

     

    Flavor
    Bitter 54.78%
    Odorless 30.59%
    Woody 26.09%
    Bland 23.17%
    Cedarleaf 23.1%
    Sweet-like 22.38%
    Sandalwood 21.65%
    Mild 21.15%
    Clary 21.04%
    Fir 20.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    5.73 (weak acid)

    Molecular weight
    504.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    106°C

    Flash point

    • 222.06 ˚C est.

  • Synonyms

    • Cyclopassifloic acid D
    • CHEBI:168155
    • DTXSID401144659
    • (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-15-[(2S,3R)-3-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
    • 292167-37-4
    • (22R)-1alpha,3beta,22-Trihydroxy-24-oxo-9beta-9,19-cyclolanostan-28-oic acid
    • 292167-37-4

  • Applications

    Cyclopassifloic acid D (CAS 292167-37-4) is a cyclic carboxylic acid that is typically used as an intermediate in organic synthesis. In practice it may serve as a building block in pharmaceutical and agrochemical development; it can be used as a precursor for specialty polymers and plastics; it is sometimes evaluated for use in coatings and inks as a functional monomer or coupling component; it may also be considered as an intermediate for cosmetic and personal care actives. Use is subject to formulation specifications and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.61
    methanol 14.93
    isopropanol 4.06
    water 0.02
    ethyl acetate 2.34
    n-propanol 5.77
    acetone 6.0
    n-butanol 3.16
    acetonitrile 1.7
    DMF 28.13
    toluene 0.64
    isobutanol 2.42
    1,4-dioxane 11.45
    methyl acetate 2.76
    THF 29.9
    2-butanone 4.95
    n-pentanol 2.22
    sec-butanol 1.63
    n-hexane 0.05
    ethylene glycol 3.08
    NMP 18.36
    cyclohexane 0.06
    DMSO 27.95
    n-butyl acetate 2.13
    n-octanol 0.89
    chloroform 5.41
    n-propyl acetate 1.72
    acetic acid 9.24
    dichloromethane 3.57
    cyclohexanone 7.03
    propylene glycol 4.45
    isopropyl acetate 2.01
    DMAc 23.07
    2-ethoxyethanol 11.23
    isopentanol 1.81
    n-heptane 0.04
    ethyl formate 2.24
    1,2-dichloroethane 2.17
    n-hexanol 2.27
    2-methoxyethanol 23.29
    isobutyl acetate 1.26
    tetrachloromethane 0.8
    n-pentyl acetate 2.7
    transcutol 12.25
    n-heptanol 1.82
    ethylbenzene 0.41
    MIBK 2.53
    2-propoxyethanol 19.38
    tert-butanol 2.43
    MTBE 1.49
    2-butoxyethanol 9.82
    propionic acid 3.55
    o-xylene 0.43
    formic acid 6.91
    diethyl ether 2.07
    m-xylene 0.49
    p-xylene 0.48
    chlorobenzene 0.92
    dimethyl carbonate 3.13
    n-octane 0.02
    formamide 8.39
    cyclopentanone 13.17
    2-pentanone 3.61
    anisole 1.87
    cyclopentyl methyl ether 3.37
    gamma-butyrolactone 12.69
    1-methoxy-2-propanol 17.32
    pyridine 6.01
    3-pentanone 2.45
    furfural 8.59
    n-dodecane 0.01
    diethylene glycol 15.61
    diisopropyl ether 0.4
    tert-amyl alcohol 1.51
    acetylacetone 5.63
    n-hexadecane 0.02
    acetophenone 2.5
    methyl propionate 3.36
    isopentyl acetate 2.13
    trichloroethylene 5.36
    n-nonanol 0.98
    cyclohexanol 1.29
    benzyl alcohol 2.85
    2-ethylhexanol 0.81
    isooctanol 1.29
    dipropyl ether 1.15
    1,2-dichlorobenzene 0.93
    ethyl lactate 2.26
    propylene carbonate 3.95
    n-methylformamide 10.73
    2-pentanol 1.12
    n-pentane 0.05
    1-propoxy-2-propanol 8.91
    1-methoxy-2-propyl acetate 6.11
    2-(2-methoxypropoxy) propanol 5.68
    mesitylene 0.27
    ε-caprolactone 5.92
    p-cymene 0.32
    epichlorohydrin 14.21
    1,1,1-trichloroethane 1.42
    2-aminoethanol 7.66
    morpholine-4-carbaldehyde 22.42
    sulfolane 17.87
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 5.06
    n-hexyl acetate 2.56
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.89
    sec-butyl acetate 1.08
    tert-butyl acetate 2.4
    decalin 0.05
    glycerin 9.69
    diglyme 14.3
    acrylic acid 4.81
    isopropyl myristate 0.58
    n-butyric acid 4.32
    acetyl acetate 2.11
    di(2-ethylhexyl) phthalate 1.57
    ethyl propionate 1.58
    nitromethane 11.99
    1,2-diethoxyethane 2.95
    benzonitrile 1.59
    trioctyl phosphate 0.99
    1-bromopropane 0.82
    gamma-valerolactone 27.21
    n-decanol 0.5
    triethyl phosphate 1.16
    4-methyl-2-pentanol 0.86
    propionitrile 1.8
    vinylene carbonate 4.41
    1,1,2-trichlorotrifluoroethane 14.75
    DMS 2.69
    cumene 0.32
    2-octanol 0.69
    2-hexanone 2.41
    octyl acetate 1.02
    limonene 0.41
    1,2-dimethoxyethane 12.08
    ethyl orthosilicate 1.09
    tributyl phosphate 0.83
    diacetone alcohol 5.31
    N,N-dimethylaniline 1.33
    acrylonitrile 2.86
    aniline 1.78
    1,3-propanediol 10.17
    bromobenzene 0.68
    dibromomethane 1.88
    1,1,2,2-tetrachloroethane 4.21
    2-methyl-cyclohexyl acetate 1.77
    tetrabutyl urea 1.44
    diisobutyl methanol 0.48
    2-phenylethanol 3.69
    styrene 0.44
    dioctyl adipate 1.31
    dimethyl sulfate 6.58
    ethyl butyrate 1.46
    methyl lactate 5.43
    butyl lactate 3.55
    diethyl carbonate 1.02
    propanediol butyl ether 7.2
    triethyl orthoformate 1.54
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 4.06
    morpholine 16.22
    tert-butylamine 0.68
    n-dodecanol 0.26
    dimethoxymethane 18.61
    ethylene carbonate 3.4
    cyrene 8.48
    2-ethoxyethyl acetate 6.07
    2-ethylhexyl acetate 1.48
    1,2,4-trichlorobenzene 1.44
    4-methylpyridine 3.52
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.48
    DEF 4.48
    dimethyl isosorbide 9.23
    tetrachloroethylene 3.27
    eugenol 5.3
    triacetin 3.77
    span 80 5.0
    1,4-butanediol 3.48
    1,1-dichloroethane 1.5
    2-methyl-1-pentanol 1.35
    methyl formate 6.1
    2-methyl-1-butanol 1.63
    n-decane 0.03
    butyronitrile 1.6
    3,7-dimethyl-1-octanol 0.69
    1-chlorooctane 0.23
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 2.82
    tetrahydropyran 4.43
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 8.47
    1-hexene 0.24
    2-isopropoxyethanol 5.46
    2,2,2-trifluoroethanol 4.03
    methyl butyrate 2.12

    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