Cyclocrassostreaxanthin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    256505-51-8

    Molecular formula
    C40H56O5

    SMILES
    C[C@@H]1C[C@@H](O[C@@]1(C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]23[C@](C[C@@H](O2)CC3(C)C)(C)O)/C)/C)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.5%
    Floral 55.13%
    Fruity 48.33%
    Sweet 47.4%
    Berry 36.97%
    Powdery 35.94%
    Tropical 32.82%
    Balsamic 32.03%
    Sandalwood 29.04%
    Fresh 27.64%

     

    Flavor
    Bitter 22.26%
    Oriental 21.55%
    Mouldy 20.03%
    Ocimene 19.89%
    Heather 19.66%
    Basil 19.53%
    Broom 19.37%
    Genet 19.34%
    Herbal 19.1%
    Low 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    -215.46 (strong acid)

    Molecular weight
    616.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    744°C

    Flash point

    • -936.06 ˚C est.

  • Synonyms

    • Cyclocrassostreaxanthin A
    • 256505-51-8
    • (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-3,5,7,9,11,13,15,17-octadecaoctaen-2-one
    • CN8A777SPJ
    • DTXSID501098100
    • Q63396115
    • 3,5,7,9,11,13,15,17-Octadecaoctaen-2-one, 18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-, (3E,5E,7E,9E,11E,13E,15E,17E)-
    • 256505-51-8

  • Applications

    Cyclocrassostreaxanthin A (CAS 256505-51-8) is a natural pigment in the carotenoid family. Real-world applications include: acting as a colorant in cosmetics and personal care products; a natural colorant candidate for food processing in jurisdictions where permitted; a pigment additive for coatings, inks, and plastics to impart orange-red hues; and it may serve as an intermediate in organic synthesis for pigment manufacture. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.45
    methanol 3.92
    isopropanol 0.86
    water 0.01
    ethyl acetate 5.89
    n-propanol 3.89
    acetone 5.89
    n-butanol 2.96
    acetonitrile 2.72
    DMF 18.9
    toluene 4.57
    isobutanol 2.01
    1,4-dioxane 14.93
    methyl acetate 5.13
    THF 40.34
    2-butanone 9.6
    n-pentanol 5.25
    sec-butanol 1.72
    n-hexane 0.26
    ethylene glycol 0.23
    NMP 47.93
    cyclohexane 0.22
    DMSO 9.37
    n-butyl acetate 5.93
    n-octanol 3.34
    chloroform 62.26
    n-propyl acetate 8.23
    acetic acid 8.03
    dichloromethane 44.15
    cyclohexanone 16.59
    propylene glycol 0.64
    isopropyl acetate 3.91
    DMAc 38.84
    2-ethoxyethanol 14.01
    isopentanol 2.29
    n-heptane 0.21
    ethyl formate 4.74
    1,2-dichloroethane 10.84
    n-hexanol 3.54
    2-methoxyethanol 8.9
    isobutyl acetate 6.37
    tetrachloromethane 3.46
    n-pentyl acetate 8.79
    transcutol 33.29
    n-heptanol 3.92
    ethylbenzene 3.79
    MIBK 4.72
    2-propoxyethanol 18.85
    tert-butanol 0.88
    MTBE 2.25
    2-butoxyethanol 16.6
    propionic acid 4.4
    o-xylene 2.44
    formic acid 3.17
    diethyl ether 3.27
    m-xylene 2.65
    p-xylene 4.65
    chlorobenzene 9.23
    dimethyl carbonate 4.1
    n-octane 0.1
    formamide 3.87
    cyclopentanone 24.2
    2-pentanone 6.81
    anisole 13.34
    cyclopentyl methyl ether 9.05
    gamma-butyrolactone 27.27
    1-methoxy-2-propanol 7.65
    pyridine 23.58
    3-pentanone 6.64
    furfural 29.19
    n-dodecane 0.1
    diethylene glycol 5.01
    diisopropyl ether 0.73
    tert-amyl alcohol 1.69
    acetylacetone 8.64
    n-hexadecane 0.12
    acetophenone 14.65
    methyl propionate 6.9
    isopentyl acetate 6.14
    trichloroethylene 43.56
    n-nonanol 4.05
    cyclohexanol 2.05
    benzyl alcohol 9.44
    2-ethylhexanol 2.88
    isooctanol 3.43
    dipropyl ether 4.15
    1,2-dichlorobenzene 11.05
    ethyl lactate 5.07
    propylene carbonate 12.7
    n-methylformamide 6.91
    2-pentanol 1.18
    n-pentane 0.13
    1-propoxy-2-propanol 10.4
    1-methoxy-2-propyl acetate 10.04
    2-(2-methoxypropoxy) propanol 15.99
    mesitylene 1.26
    ε-caprolactone 20.61
    p-cymene 1.86
    epichlorohydrin 38.3
    1,1,1-trichloroethane 9.34
    2-aminoethanol 1.45
    morpholine-4-carbaldehyde 42.04
    sulfolane 30.49
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 14.27
    n-hexyl acetate 10.86
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 18.42
    sec-butyl acetate 5.35
    tert-butyl acetate 4.85
    decalin 0.38
    glycerin 1.4
    diglyme 36.28
    acrylic acid 4.69
    isopropyl myristate 3.18
    n-butyric acid 7.12
    acetyl acetate 4.67
    di(2-ethylhexyl) phthalate 6.53
    ethyl propionate 7.46
    nitromethane 15.2
    1,2-diethoxyethane 8.36
    benzonitrile 7.57
    trioctyl phosphate 3.29
    1-bromopropane 5.72
    gamma-valerolactone 55.46
    n-decanol 2.2
    triethyl phosphate 4.58
    4-methyl-2-pentanol 1.11
    propionitrile 3.37
    vinylene carbonate 14.96
    1,1,2-trichlorotrifluoroethane 25.66
    DMS 5.87
    cumene 2.53
    2-octanol 1.82
    2-hexanone 11.1
    octyl acetate 4.83
    limonene 2.15
    1,2-dimethoxyethane 22.91
    ethyl orthosilicate 4.72
    tributyl phosphate 3.63
    diacetone alcohol 5.85
    N,N-dimethylaniline 9.57
    acrylonitrile 4.91
    aniline 5.02
    1,3-propanediol 2.12
    bromobenzene 11.02
    dibromomethane 21.03
    1,1,2,2-tetrachloroethane 26.33
    2-methyl-cyclohexyl acetate 9.69
    tetrabutyl urea 6.55
    diisobutyl methanol 1.03
    2-phenylethanol 9.15
    styrene 4.62
    dioctyl adipate 7.77
    dimethyl sulfate 7.92
    ethyl butyrate 6.82
    methyl lactate 4.03
    butyl lactate 7.85
    diethyl carbonate 4.21
    propanediol butyl ether 9.5
    triethyl orthoformate 6.81
    p-tert-butyltoluene 1.53
    methyl 4-tert-butylbenzoate 13.45
    morpholine 20.29
    tert-butylamine 0.47
    n-dodecanol 1.23
    dimethoxymethane 13.83
    ethylene carbonate 9.98
    cyrene 25.49
    2-ethoxyethyl acetate 14.23
    2-ethylhexyl acetate 5.85
    1,2,4-trichlorobenzene 15.47
    4-methylpyridine 15.7
    dibutyl ether 3.33
    2,6-dimethyl-4-heptanol 1.03
    DEF 11.25
    dimethyl isosorbide 31.27
    tetrachloroethylene 15.34
    eugenol 16.07
    triacetin 12.96
    span 80 12.39
    1,4-butanediol 1.52
    1,1-dichloroethane 7.33
    2-methyl-1-pentanol 4.98
    methyl formate 5.05
    2-methyl-1-butanol 2.87
    n-decane 0.25
    butyronitrile 3.37
    3,7-dimethyl-1-octanol 2.84
    1-chlorooctane 1.83
    1-chlorotetradecane 0.49
    n-nonane 0.18
    undecane 0.15
    tert-butylcyclohexane 0.31
    cyclooctane 0.12
    cyclopentanol 2.88
    tetrahydropyran 11.07
    tert-amyl methyl ether 2.98
    2,5,8-trioxanonane 22.18
    1-hexene 1.69
    2-isopropoxyethanol 9.87
    2,2,2-trifluoroethanol 2.92
    methyl butyrate 10.28

    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