Cryptoflavin

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  • Identifiers

    CAS number
    30311-63-8

    Molecular formula
    C40H56O2

    SMILES
    CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C2C=C3C(CCCC3(O2)C)(C)C)/C)/C

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  • Odor profile

    Fragrance
    Woody 62.46%
    Fruity 49.48%
    Floral 45.84%
    Sweet 44.51%
    Balsamic 41.33%
    Berry 38.75%
    Tropical 37.17%
    Powdery 34.39%
    Sandalwood 32.78%
    Oily 27.41%

     

    Flavor
    Balsam 33.21%
    Balsamic 24.57%
    Oriental 24.15%
    Wood 23.8%
    Herbal 21.87%
    Woody 21.43%
    Spicy 21.31%
    Low 20.85%
    Diterpene 20.73%
    Opoponax 19.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.1

    pKa est.
    -1.52 (strong acid)

    Molecular weight
    568.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    889°C

    Melting point expt.

    • 171 °C

    Flash point

    • 189.58 ˚C est.

  • Synonyms

    • Cryptoflavin
    • Cryptoxanthin 5,8-epoxide
    • 5,8-Epoxy-5,8-dihydro-b,b-caroten-3-ol
    • 30311-63-8
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • 4-((1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
    • RefChem:128605
    • WEJIOGMJJWSQFC-NNAJIMERSA-N
    • SCHEMBL2837893
    • CHEBI:176090
    • DTXSID701317895
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • (9'cis)-5',8'-Dihydro-5',8'-epoxy-beta,beta-caroten-3-ol
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl]-3,5,5-trimethyl-3-cyclohexen-1-ol #
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • 30311-63-8

  • Applications

    Cryptoflavin (CAS 30311-63-8) is typically used as an intermediate in organic synthesis and in pharmaceutical development, serving as a building block for more complex molecules. It is commonly evaluated as a fluorogenic probe or analytical reagent due to its flavin-like chromophore, enabling fluorescence-based sensing and measurements. It may act as a photosensitizer or photocatalyst in light-driven processes, including polymerization and related materials chemistry. In coatings and inks, cryptoflavin is studied as a precursor for colorant formulations or as a processing aid. It is also of interest in research on dye and optoelectronic materials because of its chromophore properties. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.97
    methanol 1.17
    isopropanol 0.13
    water 0.0
    ethyl acetate 2.14
    n-propanol 1.16
    acetone 1.03
    n-butanol 1.29
    acetonitrile 0.39
    DMF 2.5
    toluene 4.46
    isobutanol 0.61
    1,4-dioxane 4.23
    methyl acetate 1.22
    THF 12.89
    2-butanone 2.81
    n-pentanol 2.12
    sec-butanol 0.48
    n-hexane 0.57
    ethylene glycol 0.02
    NMP 13.35
    cyclohexane 0.46
    DMSO 1.19
    n-butyl acetate 4.73
    n-octanol 1.88
    chloroform 18.5
    n-propyl acetate 3.79
    acetic acid 1.12
    dichloromethane 14.22
    cyclohexanone 7.64
    propylene glycol 0.06
    isopropyl acetate 1.91
    DMAc 8.23
    2-ethoxyethanol 3.3
    isopentanol 1.12
    n-heptane 0.67
    ethyl formate 1.37
    1,2-dichloroethane 4.3
    n-hexanol 2.41
    2-methoxyethanol 1.7
    isobutyl acetate 3.85
    tetrachloromethane 1.75
    n-pentyl acetate 6.64
    transcutol 16.15
    n-heptanol 2.81
    ethylbenzene 3.67
    MIBK 2.71
    2-propoxyethanol 7.05
    tert-butanol 0.16
    MTBE 1.35
    2-butoxyethanol 7.67
    propionic acid 0.83
    o-xylene 2.35
    formic acid 0.48
    diethyl ether 2.16
    m-xylene 2.69
    p-xylene 3.37
    chlorobenzene 5.58
    dimethyl carbonate 0.98
    n-octane 0.21
    formamide 0.55
    cyclopentanone 7.57
    2-pentanone 2.76
    anisole 7.54
    cyclopentyl methyl ether 6.27
    gamma-butyrolactone 6.96
    1-methoxy-2-propanol 1.45
    pyridine 9.08
    3-pentanone 3.07
    furfural 7.93
    n-dodecane 0.13
    diethylene glycol 1.05
    diisopropyl ether 0.73
    tert-amyl alcohol 0.68
    acetylacetone 2.61
    n-hexadecane 0.16
    acetophenone 7.32
    methyl propionate 2.32
    isopentyl acetate 5.68
    trichloroethylene 13.8
    n-nonanol 2.68
    cyclohexanol 1.04
    benzyl alcohol 3.32
    2-ethylhexanol 3.13
    isooctanol 2.9
    dipropyl ether 5.22
    1,2-dichlorobenzene 6.48
    ethyl lactate 1.64
    propylene carbonate 3.93
    n-methylformamide 1.07
    2-pentanol 0.5
    n-pentane 0.25
    1-propoxy-2-propanol 4.87
    1-methoxy-2-propyl acetate 6.49
    2-(2-methoxypropoxy) propanol 9.35
    mesitylene 1.46
    ε-caprolactone 9.76
    p-cymene 2.58
    epichlorohydrin 10.94
    1,1,1-trichloroethane 3.21
    2-aminoethanol 0.2
    morpholine-4-carbaldehyde 9.47
    sulfolane 8.64
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 7.74
    n-hexyl acetate 7.35
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 10.22
    sec-butyl acetate 3.48
    tert-butyl acetate 3.0
    decalin 0.67
    glycerin 0.16
    diglyme 18.86
    acrylic acid 0.7
    isopropyl myristate 2.95
    n-butyric acid 2.25
    acetyl acetate 1.5
    di(2-ethylhexyl) phthalate 4.59
    ethyl propionate 3.97
    nitromethane 1.72
    1,2-diethoxyethane 6.73
    benzonitrile 2.46
    trioctyl phosphate 2.47
    1-bromopropane 4.28
    gamma-valerolactone 14.82
    n-decanol 1.62
    triethyl phosphate 4.02
    4-methyl-2-pentanol 0.63
    propionitrile 0.86
    vinylene carbonate 4.68
    1,1,2-trichlorotrifluoroethane 5.55
    DMS 2.59
    cumene 2.69
    2-octanol 1.28
    2-hexanone 5.21
    octyl acetate 3.77
    limonene 3.21
    1,2-dimethoxyethane 7.52
    ethyl orthosilicate 5.19
    tributyl phosphate 2.8
    diacetone alcohol 2.32
    N,N-dimethylaniline 6.31
    acrylonitrile 0.88
    aniline 2.51
    1,3-propanediol 0.44
    bromobenzene 7.6
    dibromomethane 8.52
    1,1,2,2-tetrachloroethane 9.23
    2-methyl-cyclohexyl acetate 8.76
    tetrabutyl urea 4.66
    diisobutyl methanol 1.24
    2-phenylethanol 5.27
    styrene 3.77
    dioctyl adipate 6.23
    dimethyl sulfate 1.99
    ethyl butyrate 6.44
    methyl lactate 0.85
    butyl lactate 4.19
    diethyl carbonate 3.25
    propanediol butyl ether 2.79
    triethyl orthoformate 7.49
    p-tert-butyltoluene 2.18
    methyl 4-tert-butylbenzoate 10.36
    morpholine 5.85
    tert-butylamine 0.16
    n-dodecanol 0.98
    dimethoxymethane 3.06
    ethylene carbonate 3.16
    cyrene 9.87
    2-ethoxyethyl acetate 9.04
    2-ethylhexyl acetate 6.59
    1,2,4-trichlorobenzene 7.96
    4-methylpyridine 6.92
    dibutyl ether 3.62
    2,6-dimethyl-4-heptanol 1.24
    DEF 4.4
    dimethyl isosorbide 17.87
    tetrachloroethylene 6.22
    eugenol 9.11
    triacetin 7.01
    span 80 7.57
    1,4-butanediol 0.25
    1,1-dichloroethane 2.23
    2-methyl-1-pentanol 2.99
    methyl formate 0.8
    2-methyl-1-butanol 1.54
    n-decane 0.36
    butyronitrile 1.29
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 1.97
    1-chlorotetradecane 0.58
    n-nonane 0.28
    undecane 0.2
    tert-butylcyclohexane 0.59
    cyclooctane 0.31
    cyclopentanol 0.86
    tetrahydropyran 5.99
    tert-amyl methyl ether 2.7
    2,5,8-trioxanonane 12.62
    1-hexene 2.3
    2-isopropoxyethanol 2.9
    2,2,2-trifluoroethanol 0.37
    methyl butyrate 4.86

    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