beta,kappa-Carotene-3',6'-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    89195-47-1

    Molecular formula
    C40H54O2

    SMILES
    CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(=O)CC2(C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.45%
    Fruity 54.25%
    Sweet 48.13%
    Floral 47.16%
    Balsamic 41.07%
    Berry 40.0%
    Tropical 37.34%
    Powdery 35.91%
    Oily 32.93%
    Sandalwood 29.4%

     

    Flavor
    Balsam 29.23%
    Oriental 24.48%
    Balsamic 22.07%
    Diterpene 20.41%
    Low 20.4%
    Basil 19.72%
    Nitrile 19.45%
    Ocimene 19.27%
    Opoponax 19.26%
    Mouldy 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.5

    pKa est.
    -16.31 (strong acid)

    Molecular weight
    566.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    700°C

    Flash point

    • 117.32 ˚C est.

  • Synonyms

    • beta,kappa-Carotene-3',6'-dione
    • DTXSID501301133
    • I(2),I masculine-Carotene-3a(2),6a(2)-dione, (5a(2)R)-
    • 89195-47-1
    • 89195-47-1

  • Applications

    beta,kappa-Carotene-3',6'-dione is a carotenoid-derived diketone pigment. In industry it may be used as a colorant in cosmetics and personal care, in coatings and inks, and as a pigment additive for polymers/plastics. It may also serve as an intermediate in organic synthesis related to carotenoid chemistry, and be used as an analytical reference pigment in photochemical studies and carotenoid degradation. Additionally, it may be evaluated for use as a colorant in food processing or animal feed, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.6
    methanol 0.56
    isopropanol 0.28
    water 0.0
    ethyl acetate 3.57
    n-propanol 0.99
    acetone 2.09
    n-butanol 1.13
    acetonitrile 0.53
    DMF 5.84
    toluene 4.96
    isobutanol 0.63
    1,4-dioxane 6.71
    methyl acetate 2.38
    THF 22.41
    2-butanone 4.98
    n-pentanol 1.88
    sec-butanol 0.83
    n-hexane 0.64
    ethylene glycol 0.02
    NMP 24.0
    cyclohexane 0.36
    DMSO 2.21
    n-butyl acetate 5.57
    n-octanol 1.27
    chloroform 31.32
    n-propyl acetate 4.98
    acetic acid 1.46
    dichloromethane 21.68
    cyclohexanone 9.93
    propylene glycol 0.09
    isopropyl acetate 3.31
    DMAc 21.75
    2-ethoxyethanol 3.32
    isopentanol 1.17
    n-heptane 0.44
    ethyl formate 1.53
    1,2-dichloroethane 6.88
    n-hexanol 2.02
    2-methoxyethanol 1.8
    isobutyl acetate 4.8
    tetrachloromethane 2.85
    n-pentyl acetate 6.38
    transcutol 19.02
    n-heptanol 1.95
    ethylbenzene 5.49
    MIBK 3.84
    2-propoxyethanol 6.82
    tert-butanol 0.47
    MTBE 3.4
    2-butoxyethanol 6.65
    propionic acid 1.09
    o-xylene 3.44
    formic acid 0.36
    diethyl ether 2.96
    m-xylene 3.65
    p-xylene 5.32
    chlorobenzene 7.24
    dimethyl carbonate 1.82
    n-octane 0.16
    formamide 0.53
    cyclopentanone 11.59
    2-pentanone 4.31
    anisole 12.82
    cyclopentyl methyl ether 7.51
    gamma-butyrolactone 10.8
    1-methoxy-2-propanol 2.3
    pyridine 10.87
    3-pentanone 4.72
    furfural 11.32
    n-dodecane 0.09
    diethylene glycol 0.95
    diisopropyl ether 1.13
    tert-amyl alcohol 1.39
    acetylacetone 4.82
    n-hexadecane 0.1
    acetophenone 10.85
    methyl propionate 3.48
    isopentyl acetate 7.16
    trichloroethylene 26.6
    n-nonanol 1.77
    cyclohexanol 1.15
    benzyl alcohol 3.84
    2-ethylhexanol 2.32
    isooctanol 2.03
    dipropyl ether 5.25
    1,2-dichlorobenzene 10.11
    ethyl lactate 2.02
    propylene carbonate 6.13
    n-methylformamide 1.27
    2-pentanol 0.7
    n-pentane 0.24
    1-propoxy-2-propanol 5.27
    1-methoxy-2-propyl acetate 9.76
    2-(2-methoxypropoxy) propanol 10.62
    mesitylene 2.06
    ε-caprolactone 12.21
    p-cymene 2.58
    epichlorohydrin 18.01
    1,1,1-trichloroethane 8.72
    2-aminoethanol 0.16
    morpholine-4-carbaldehyde 17.37
    sulfolane 15.15
    2,2,4-trimethylpentane 0.46
    2-methyltetrahydrofuran 11.52
    n-hexyl acetate 7.09
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 9.64
    sec-butyl acetate 5.75
    tert-butyl acetate 6.18
    decalin 0.77
    glycerin 0.19
    diglyme 22.98
    acrylic acid 0.94
    isopropyl myristate 2.79
    n-butyric acid 2.55
    acetyl acetate 2.79
    di(2-ethylhexyl) phthalate 4.03
    ethyl propionate 5.86
    nitromethane 3.43
    1,2-diethoxyethane 8.22
    benzonitrile 3.05
    trioctyl phosphate 1.89
    1-bromopropane 5.39
    gamma-valerolactone 22.65
    n-decanol 1.0
    triethyl phosphate 5.1
    4-methyl-2-pentanol 0.85
    propionitrile 1.03
    vinylene carbonate 6.0
    1,1,2-trichlorotrifluoroethane 8.69
    DMS 4.01
    cumene 3.75
    2-octanol 1.09
    2-hexanone 7.18
    octyl acetate 3.46
    limonene 3.22
    1,2-dimethoxyethane 11.79
    ethyl orthosilicate 6.28
    tributyl phosphate 2.5
    diacetone alcohol 4.02
    N,N-dimethylaniline 10.47
    acrylonitrile 1.15
    aniline 2.88
    1,3-propanediol 0.36
    bromobenzene 10.6
    dibromomethane 11.49
    1,1,2,2-tetrachloroethane 19.15
    2-methyl-cyclohexyl acetate 10.32
    tetrabutyl urea 4.37
    diisobutyl methanol 1.38
    2-phenylethanol 5.33
    styrene 5.19
    dioctyl adipate 6.19
    dimethyl sulfate 4.52
    ethyl butyrate 7.41
    methyl lactate 1.19
    butyl lactate 4.08
    diethyl carbonate 3.97
    propanediol butyl ether 2.64
    triethyl orthoformate 8.68
    p-tert-butyltoluene 2.55
    methyl 4-tert-butylbenzoate 13.07
    morpholine 8.56
    tert-butylamine 0.36
    n-dodecanol 0.6
    dimethoxymethane 4.55
    ethylene carbonate 3.89
    cyrene 13.42
    2-ethoxyethyl acetate 10.11
    2-ethylhexyl acetate 7.56
    1,2,4-trichlorobenzene 13.79
    4-methylpyridine 10.36
    dibutyl ether 3.4
    2,6-dimethyl-4-heptanol 1.38
    DEF 7.04
    dimethyl isosorbide 27.2
    tetrachloroethylene 9.91
    eugenol 10.49
    triacetin 9.06
    span 80 7.15
    1,4-butanediol 0.23
    1,1-dichloroethane 4.99
    2-methyl-1-pentanol 3.04
    methyl formate 1.0
    2-methyl-1-butanol 1.5
    n-decane 0.24
    butyronitrile 1.44
    3,7-dimethyl-1-octanol 1.67
    1-chlorooctane 1.47
    1-chlorotetradecane 0.42
    n-nonane 0.19
    undecane 0.13
    tert-butylcyclohexane 0.84
    cyclooctane 0.22
    cyclopentanol 1.08
    tetrahydropyran 7.56
    tert-amyl methyl ether 5.35
    2,5,8-trioxanonane 14.6
    1-hexene 2.83
    2-isopropoxyethanol 3.19
    2,2,2-trifluoroethanol 0.64
    methyl butyrate 6.97

    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