Camellioferin A

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  • Identifiers

    CAS number
    159935-08-7

    Molecular formula
    C75H52O48

    SMILES
    C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)OC8=C(C(=C(C=C8C(=O)OC9C(C1C(COC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)OC9OC(=O)C1=C(C(=C(C=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.98%
    Phenolic 34.11%
    Burnt 24.77%
    Balsamic 18.91%
    Smoky 16.03%
    Savory 15.16%
    Spicy 15.11%
    Milky 13.26%
    Vanilla 13.22%
    Bitter 13.11%

     

    Flavor
    Bitter 90.21%
    Odorless 34.11%
    Bland 32.21%
    Sweet-like 23.7%
    Very mild 19.78%
    Cedarleaf 19.77%
    Lovage 19.27%
    Parsley 19.21%
    Eugenol 18.99%
    Nitrile 18.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    3.74 (weak acid)

    Molecular weight
    1721.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    3844°C

    Flash point

    • 224.4 ˚C est.

  • Synonyms

    • Camellioferin A
    • RefChem:123110
    • 159935-08-7
    • D-Glucose, cyclic 4->2':6->2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), 2-ester with beta-D-glucopyranose cyc
    • D-Glucose, cyclic 4->2':6->2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate), 2-ester withbeta-D-glucopyranose cyc
    • (3,4,5,21,22,23-hexahydroxy-8,18-dioxo-13-(2,3,4-trihydroxybenzoyl)oxy-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo(17.4.0.02,7.010,15)tricosa-1(23),2,4,6,19,21-hexaen-12-yl) 2-((7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo(20.17.0.02,19.05,10.011,16.026,31.032,37)nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl)oxy)-3,4,5-trihydroxybenzoate
    • [3,4,5,21,22,23-hexahydroxy-8,18-dioxo-13-(2,3,4-trihydroxybenzoyl)oxy-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[(7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl)oxy]-3,4,5-trihydroxybenzoate
    • 159935-08-7

  • Applications

    Camellioferin A (CAS 159935-08-7) is a natural compound primarily studied as an intermediate in organic synthesis; in practical applications, it is commonly evaluated for antioxidant activity in cosmetics and personal care products; it may serve as a fragrance-related odorant or fixative component in perfumery; in the fields of polymers and coatings/inks, it is investigated as a stabilizer or performance additive; and in pharmaceutical or agricultural research settings, it is sometimes used as a research tool or synthesis precursor, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.02
    methanol 2.57
    isopropanol 1.32
    water 0.21
    ethyl acetate 2.07
    n-propanol 1.48
    acetone 3.98
    n-butanol 0.69
    acetonitrile 1.14
    DMF 59.92
    toluene 0.46
    isobutanol 0.56
    1,4-dioxane 11.72
    methyl acetate 4.1
    THF 22.51
    2-butanone 3.3
    n-pentanol 0.44
    sec-butanol 1.0
    n-hexane 0.02
    ethylene glycol 7.54
    NMP 49.89
    cyclohexane 0.03
    DMSO 34.87
    n-butyl acetate 0.8
    n-octanol 0.93
    chloroform 0.75
    n-propyl acetate 1.09
    acetic acid 11.67
    dichloromethane 0.85
    cyclohexanone 2.41
    propylene glycol 7.45
    isopropyl acetate 1.31
    DMAc 50.51
    2-ethoxyethanol 12.61
    isopentanol 0.34
    n-heptane 0.05
    ethyl formate 1.86
    1,2-dichloroethane 0.65
    n-hexanol 0.28
    2-methoxyethanol 30.35
    isobutyl acetate 0.31
    tetrachloromethane 0.11
    n-pentyl acetate 1.61
    transcutol 22.75
    n-heptanol 0.72
    ethylbenzene 0.15
    MIBK 0.6
    2-propoxyethanol 9.02
    tert-butanol 1.08
    MTBE 0.93
    2-butoxyethanol 7.72
    propionic acid 4.53
    o-xylene 0.31
    formic acid 14.84
    diethyl ether 1.16
    m-xylene 0.25
    p-xylene 0.15
    chlorobenzene 0.16
    dimethyl carbonate 8.32
    n-octane 0.04
    formamide 20.7
    cyclopentanone 9.27
    2-pentanone 1.69
    anisole 1.13
    cyclopentyl methyl ether 3.48
    gamma-butyrolactone 18.52
    1-methoxy-2-propanol 20.96
    pyridine 5.19
    3-pentanone 1.58
    furfural 14.04
    n-dodecane 0.03
    diethylene glycol 12.83
    diisopropyl ether 0.22
    tert-amyl alcohol 0.88
    acetylacetone 5.24
    n-hexadecane 0.04
    acetophenone 1.37
    methyl propionate 4.79
    isopentyl acetate 0.45
    trichloroethylene 1.87
    n-nonanol 1.0
    cyclohexanol 0.69
    benzyl alcohol 1.31
    2-ethylhexanol 0.18
    isooctanol 0.45
    dipropyl ether 1.18
    1,2-dichlorobenzene 0.15
    ethyl lactate 2.92
    propylene carbonate 3.57
    n-methylformamide 16.07
    2-pentanol 0.47
    n-pentane 0.03
    1-propoxy-2-propanol 7.03
    1-methoxy-2-propyl acetate 4.54
    2-(2-methoxypropoxy) propanol 6.05
    mesitylene 0.12
    ε-caprolactone 3.8
    p-cymene 0.12
    epichlorohydrin 9.85
    1,1,1-trichloroethane 0.25
    2-aminoethanol 6.49
    morpholine-4-carbaldehyde 64.47
    sulfolane 27.41
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.04
    n-hexyl acetate 1.64
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.9
    sec-butyl acetate 0.54
    tert-butyl acetate 1.36
    decalin 0.01
    glycerin 26.87
    diglyme 21.23
    acrylic acid 8.08
    isopropyl myristate 0.54
    n-butyric acid 2.3
    acetyl acetate 1.6
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 1.31
    nitromethane 24.28
    1,2-diethoxyethane 3.52
    benzonitrile 0.53
    trioctyl phosphate 0.58
    1-bromopropane 0.21
    gamma-valerolactone 33.65
    n-decanol 0.63
    triethyl phosphate 0.71
    4-methyl-2-pentanol 0.2
    propionitrile 0.82
    vinylene carbonate 3.64
    1,1,2-trichlorotrifluoroethane 21.42
    DMS 2.96
    cumene 0.07
    2-octanol 0.56
    2-hexanone 0.77
    octyl acetate 1.06
    limonene 0.16
    1,2-dimethoxyethane 13.61
    ethyl orthosilicate 0.66
    tributyl phosphate 0.43
    diacetone alcohol 4.15
    N,N-dimethylaniline 1.06
    acrylonitrile 2.14
    aniline 1.25
    1,3-propanediol 6.36
    bromobenzene 0.12
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 1.61
    2-methyl-cyclohexyl acetate 0.46
    tetrabutyl urea 1.35
    diisobutyl methanol 0.14
    2-phenylethanol 0.76
    styrene 0.17
    dioctyl adipate 1.16
    dimethyl sulfate 18.93
    ethyl butyrate 0.92
    methyl lactate 12.2
    butyl lactate 3.1
    diethyl carbonate 0.69
    propanediol butyl ether 9.91
    triethyl orthoformate 1.5
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 3.16
    morpholine 17.42
    tert-butylamine 0.32
    n-dodecanol 0.41
    dimethoxymethane 24.74
    ethylene carbonate 2.34
    cyrene 7.49
    2-ethoxyethyl acetate 4.85
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.35
    4-methylpyridine 2.53
    dibutyl ether 0.79
    2,6-dimethyl-4-heptanol 0.14
    DEF 5.83
    dimethyl isosorbide 8.03
    tetrachloroethylene 1.0
    eugenol 2.99
    triacetin 4.94
    span 80 5.97
    1,4-butanediol 2.06
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.22
    methyl formate 11.92
    2-methyl-1-butanol 0.41
    n-decane 0.07
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.33
    1-chlorooctane 0.21
    1-chlorotetradecane 0.08
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.94
    tetrahydropyran 2.69
    tert-amyl methyl ether 0.95
    2,5,8-trioxanonane 13.34
    1-hexene 0.07
    2-isopropoxyethanol 5.04
    2,2,2-trifluoroethanol 7.77
    methyl butyrate 1.49

    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