Flavochrome

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  • Identifiers

    CAS number
    473-05-2

    Molecular formula
    C40H56O

    SMILES
    CC1=CCCC(C1/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)(C)C

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  • Odor profile

    Fragrance
    Woody 67.37%
    Sweet 46.49%
    Balsamic 45.42%
    Fruity 44.33%
    Floral 41.14%
    Berry 36.18%
    Tropical 35.14%
    Sandalwood 34.04%
    Oily 33.25%
    Powdery 33.07%

     

    Flavor
    Balsam 38.09%
    Balsamic 28.14%
    Wood 27.1%
    Oriental 24.89%
    Woody 22.95%
    Diterpene 21.33%
    Herbal 21.3%
    Low 21.28%
    Spicy 21.2%
    Opoponax 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.5

    pKa est.
    -1.58 (strong acid)

    Molecular weight
    552.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    652°C

    Melting point expt.

    • 189 °C

    Flash point

    • 179.56 ˚C est.

  • Synonyms

    • Flavochrome
    • 5,8-Epoxy-5,8-dihydro-b,e-carotene
    • 473-05-2
    • RefChem:140642
    • 5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene
    • UNII-MO0US97U17
    • 473-05-2

  • Applications

    Flavochrome (CAS 473-05-2) can be used as a synthetic colorant for coatings, inks, and plastic materials; serves as an intermediate in the synthesis of flavonoid-inspired pigments or fragrance compounds; is considered an antioxidant/stabilizer additive for plastics and cosmetic formulations; may be used as a colorant in cosmetics and personal care products; and can function as a reference material or analytical standard in research and method development (for example, HPLC or GC) to support quality assessment and compound identification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 0.88
    isopropanol 0.3
    water 0.0
    ethyl acetate 5.34
    n-propanol 1.7
    acetone 1.66
    n-butanol 2.48
    acetonitrile 0.69
    DMF 2.44
    toluene 13.89
    isobutanol 1.21
    1,4-dioxane 6.75
    methyl acetate 2.47
    THF 17.95
    2-butanone 5.35
    n-pentanol 3.74
    sec-butanol 1.08
    n-hexane 1.8
    ethylene glycol 0.03
    NMP 15.3
    cyclohexane 1.79
    DMSO 1.28
    n-butyl acetate 11.49
    n-octanol 3.04
    chloroform 43.1
    n-propyl acetate 7.96
    acetic acid 1.52
    dichloromethane 31.93
    cyclohexanone 14.84
    propylene glycol 0.08
    isopropyl acetate 5.44
    DMAc 10.88
    2-ethoxyethanol 4.16
    isopentanol 2.61
    n-heptane 2.14
    ethyl formate 2.15
    1,2-dichloroethane 9.9
    n-hexanol 4.8
    2-methoxyethanol 1.93
    isobutyl acetate 8.5
    tetrachloromethane 4.92
    n-pentyl acetate 13.07
    transcutol 23.93
    n-heptanol 4.6
    ethylbenzene 10.67
    MIBK 6.34
    2-propoxyethanol 9.49
    tert-butanol 0.4
    MTBE 3.47
    2-butoxyethanol 10.5
    propionic acid 1.34
    o-xylene 7.19
    formic acid 0.47
    diethyl ether 5.42
    m-xylene 8.57
    p-xylene 9.09
    chlorobenzene 14.77
    dimethyl carbonate 1.69
    n-octane 0.59
    formamide 0.56
    cyclopentanone 11.86
    2-pentanone 5.93
    anisole 16.09
    cyclopentyl methyl ether 13.15
    gamma-butyrolactone 10.1
    1-methoxy-2-propanol 2.07
    pyridine 15.82
    3-pentanone 6.99
    furfural 11.22
    n-dodecane 0.36
    diethylene glycol 1.28
    diisopropyl ether 2.38
    tert-amyl alcohol 1.49
    acetylacetone 5.2
    n-hexadecane 0.43
    acetophenone 15.03
    methyl propionate 4.69
    isopentyl acetate 14.45
    trichloroethylene 30.52
    n-nonanol 4.3
    cyclohexanol 2.59
    benzyl alcohol 5.94
    2-ethylhexanol 7.15
    isooctanol 5.16
    dipropyl ether 12.21
    1,2-dichlorobenzene 17.26
    ethyl lactate 2.76
    propylene carbonate 7.31
    n-methylformamide 1.06
    2-pentanol 1.3
    n-pentane 0.86
    1-propoxy-2-propanol 7.68
    1-methoxy-2-propyl acetate 13.64
    2-(2-methoxypropoxy) propanol 14.81
    mesitylene 4.84
    ε-caprolactone 18.68
    p-cymene 7.08
    epichlorohydrin 16.55
    1,1,1-trichloroethane 10.01
    2-aminoethanol 0.22
    morpholine-4-carbaldehyde 11.68
    sulfolane 11.4
    2,2,4-trimethylpentane 1.21
    2-methyltetrahydrofuran 15.3
    n-hexyl acetate 14.46
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 15.11
    sec-butyl acetate 9.35
    tert-butyl acetate 7.79
    decalin 2.42
    glycerin 0.19
    diglyme 27.68
    acrylic acid 1.03
    isopropyl myristate 6.63
    n-butyric acid 4.46
    acetyl acetate 3.75
    di(2-ethylhexyl) phthalate 8.41
    ethyl propionate 9.02
    nitromethane 2.22
    1,2-diethoxyethane 13.71
    benzonitrile 4.95
    trioctyl phosphate 4.38
    1-bromopropane 12.0
    gamma-valerolactone 20.19
    n-decanol 2.7
    triethyl phosphate 9.13
    4-methyl-2-pentanol 1.68
    propionitrile 1.61
    vinylene carbonate 8.06
    1,1,2-trichlorotrifluoroethane 8.08
    DMS 4.97
    cumene 7.42
    2-octanol 2.36
    2-hexanone 10.24
    octyl acetate 7.52
    limonene 8.72
    1,2-dimethoxyethane 10.22
    ethyl orthosilicate 11.94
    tributyl phosphate 5.25
    diacetone alcohol 4.54
    N,N-dimethylaniline 12.86
    acrylonitrile 1.44
    aniline 5.79
    1,3-propanediol 0.59
    bromobenzene 21.99
    dibromomethane 21.16
    1,1,2,2-tetrachloroethane 21.49
    2-methyl-cyclohexyl acetate 19.69
    tetrabutyl urea 7.9
    diisobutyl methanol 3.24
    2-phenylethanol 10.06
    styrene 10.34
    dioctyl adipate 11.99
    dimethyl sulfate 3.11
    ethyl butyrate 15.48
    methyl lactate 1.35
    butyl lactate 6.75
    diethyl carbonate 7.54
    propanediol butyl ether 3.64
    triethyl orthoformate 16.86
    p-tert-butyltoluene 5.94
    methyl 4-tert-butylbenzoate 18.37
    morpholine 8.47
    tert-butylamine 0.41
    n-dodecanol 1.74
    dimethoxymethane 3.84
    ethylene carbonate 5.88
    cyrene 13.95
    2-ethoxyethyl acetate 17.06
    2-ethylhexyl acetate 16.93
    1,2,4-trichlorobenzene 19.55
    4-methylpyridine 14.3
    dibutyl ether 7.87
    2,6-dimethyl-4-heptanol 3.24
    DEF 8.06
    dimethyl isosorbide 27.74
    tetrachloroethylene 14.02
    eugenol 14.21
    triacetin 13.15
    span 80 11.67
    1,4-butanediol 0.33
    1,1-dichloroethane 6.66
    2-methyl-1-pentanol 6.12
    methyl formate 0.83
    2-methyl-1-butanol 3.26
    n-decane 0.92
    butyronitrile 2.58
    3,7-dimethyl-1-octanol 4.17
    1-chlorooctane 4.54
    1-chlorotetradecane 1.41
    n-nonane 0.72
    undecane 0.54
    tert-butylcyclohexane 2.07
    cyclooctane 1.17
    cyclopentanol 1.67
    tetrahydropyran 12.35
    tert-amyl methyl ether 6.67
    2,5,8-trioxanonane 19.28
    1-hexene 6.23
    2-isopropoxyethanol 4.44
    2,2,2-trifluoroethanol 0.61
    methyl butyrate 10.21

    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