Citranaxanthin

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  • Identifiers

    CAS number
    3604-90-8

    Molecular formula
    C33H44O

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.94%
    Sweet 55.65%
    Balsamic 53.88%
    Floral 53.26%
    Fruity 43.29%
    Tropical 38.5%
    Powdery 36.09%
    Oily 35.64%
    Berry 35.5%
    Spicy 29.39%

     

    Flavor
    Balsam 38.81%
    Balsamic 28.56%
    Oriental 26.35%
    Spicy 22.29%
    Diterpene 21.27%
    Low 21.1%
    Sweet 20.48%
    Opoponax 20.13%
    Ocimene 20.11%
    Mouldy 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.5

    pKa est.
    7.1 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    539°C

    Flash point

    • 247.25 ˚C est.

  • Synonyms

    • citranaxanthin
    • 3604-90-8
    • 4QIX1TA44L
    • (3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
    • 3,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)-
    • (3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohex-1-en-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
    • CHEBI:53217
    • DTXSID20883993
    • RefChem:126516
    • DTXCID101023468
    • 222-762-5
    • (E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethylcyclohexenyl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one
    • EINECS 222-762-5
    • UNII-4QIX1TA44L
    • Citranxanthin
    • SCHEMBL115883
    • E 161i
    • PRDJTOVRIHGKNU-ZWERVMMHSA-N
    • FC57727
    • Q763802
    • 5',6'-Dihydro-5'-apo-18'-nor-b-caroten-6'-one
    • 5',6'-Dihydro-5'-apo-18'-nor-beta-caroten-6'-one
    • (3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-TETRAMETHYL-20-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3,5,7,9,11,13,15,17,19-EICOSANONAEN-2-ONE
    • 3604-90-8

  • Applications

    Citranaxanthin (CAS 3604-90-8) is a carotenoid pigment used primarily as a colorant in cosmetics and personal care products; it is also employed as a feed colorant in animal nutrition to impart yellow-orange hues to animal-derived products. It is commonly evaluated for use as a food colorant where permitted by regulations, and it is also applied as a pigment in coatings and inks, with potential use in plastics and other polymer formulations to achieve a stable yellow-orange color.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.85
    methanol 0.86
    isopropanol 0.26
    water 0.0
    ethyl acetate 3.35
    n-propanol 1.08
    acetone 1.46
    n-butanol 1.27
    acetonitrile 0.37
    DMF 3.06
    toluene 6.48
    isobutanol 0.63
    1,4-dioxane 6.61
    methyl acetate 1.89
    THF 25.53
    2-butanone 4.05
    n-pentanol 2.12
    sec-butanol 0.86
    n-hexane 1.31
    ethylene glycol 0.02
    NMP 11.66
    cyclohexane 0.98
    DMSO 1.9
    n-butyl acetate 7.42
    n-octanol 1.63
    chloroform 28.31
    n-propyl acetate 5.78
    acetic acid 0.93
    dichloromethane 23.02
    cyclohexanone 9.4
    propylene glycol 0.08
    isopropyl acetate 3.44
    DMAc 14.32
    2-ethoxyethanol 3.33
    isopentanol 1.3
    n-heptane 1.11
    ethyl formate 1.31
    1,2-dichloroethane 7.91
    n-hexanol 2.25
    2-methoxyethanol 1.63
    isobutyl acetate 5.88
    tetrachloromethane 2.93
    n-pentyl acetate 7.61
    transcutol 25.34
    n-heptanol 2.18
    ethylbenzene 6.82
    MIBK 3.93
    2-propoxyethanol 5.96
    tert-butanol 0.51
    MTBE 4.21
    2-butoxyethanol 6.16
    propionic acid 0.77
    o-xylene 4.05
    formic acid 0.22
    diethyl ether 3.98
    m-xylene 4.57
    p-xylene 6.03
    chlorobenzene 7.38
    dimethyl carbonate 1.19
    n-octane 0.42
    formamide 0.35
    cyclopentanone 9.55
    2-pentanone 3.69
    anisole 14.19
    cyclopentyl methyl ether 9.05
    gamma-butyrolactone 7.67
    1-methoxy-2-propanol 1.8
    pyridine 9.04
    3-pentanone 4.41
    furfural 7.59
    n-dodecane 0.23
    diethylene glycol 0.91
    diisopropyl ether 1.66
    tert-amyl alcohol 1.64
    acetylacetone 4.3
    n-hexadecane 0.27
    acetophenone 10.43
    methyl propionate 2.77
    isopentyl acetate 9.95
    trichloroethylene 21.76
    n-nonanol 2.29
    cyclohexanol 1.42
    benzyl alcohol 3.65
    2-ethylhexanol 3.39
    isooctanol 2.47
    dipropyl ether 8.74
    1,2-dichlorobenzene 9.84
    ethyl lactate 1.83
    propylene carbonate 4.64
    n-methylformamide 0.8
    2-pentanol 0.75
    n-pentane 0.51
    1-propoxy-2-propanol 5.26
    1-methoxy-2-propyl acetate 10.59
    2-(2-methoxypropoxy) propanol 12.75
    mesitylene 2.8
    ε-caprolactone 11.28
    p-cymene 4.03
    epichlorohydrin 15.23
    1,1,1-trichloroethane 8.05
    2-aminoethanol 0.13
    morpholine-4-carbaldehyde 10.08
    sulfolane 10.35
    2,2,4-trimethylpentane 0.97
    2-methyltetrahydrofuran 13.45
    n-hexyl acetate 8.3
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 11.33
    sec-butyl acetate 6.9
    tert-butyl acetate 6.92
    decalin 1.57
    glycerin 0.15
    diglyme 26.72
    acrylic acid 0.54
    isopropyl myristate 4.34
    n-butyric acid 2.02
    acetyl acetate 2.49
    di(2-ethylhexyl) phthalate 4.9
    ethyl propionate 6.31
    nitromethane 1.79
    1,2-diethoxyethane 14.09
    benzonitrile 2.62
    trioctyl phosphate 2.32
    1-bromopropane 7.57
    gamma-valerolactone 15.31
    n-decanol 1.49
    triethyl phosphate 7.27
    4-methyl-2-pentanol 0.96
    propionitrile 0.87
    vinylene carbonate 4.12
    1,1,2-trichlorotrifluoroethane 6.01
    DMS 3.8
    cumene 5.0
    2-octanol 1.34
    2-hexanone 7.94
    octyl acetate 4.52
    limonene 5.23
    1,2-dimethoxyethane 12.08
    ethyl orthosilicate 9.46
    tributyl phosphate 3.16
    diacetone alcohol 3.8
    N,N-dimethylaniline 12.2
    acrylonitrile 0.79
    aniline 2.63
    1,3-propanediol 0.35
    bromobenzene 10.99
    dibromomethane 14.11
    1,1,2,2-tetrachloroethane 17.72
    2-methyl-cyclohexyl acetate 14.75
    tetrabutyl urea 5.26
    diisobutyl methanol 2.32
    2-phenylethanol 5.48
    styrene 6.33
    dioctyl adipate 9.05
    dimethyl sulfate 2.61
    ethyl butyrate 10.83
    methyl lactate 0.81
    butyl lactate 4.31
    diethyl carbonate 5.52
    propanediol butyl ether 2.61
    triethyl orthoformate 12.67
    p-tert-butyltoluene 3.8
    methyl 4-tert-butylbenzoate 14.13
    morpholine 7.88
    tert-butylamine 0.44
    n-dodecanol 0.97
    dimethoxymethane 4.12
    ethylene carbonate 2.95
    cyrene 11.5
    2-ethoxyethyl acetate 11.28
    2-ethylhexyl acetate 11.08
    1,2,4-trichlorobenzene 11.77
    4-methylpyridine 8.96
    dibutyl ether 6.13
    2,6-dimethyl-4-heptanol 2.32
    DEF 5.74
    dimethyl isosorbide 32.0
    tetrachloroethylene 9.52
    eugenol 10.46
    triacetin 9.99
    span 80 8.35
    1,4-butanediol 0.22
    1,1-dichloroethane 4.93
    2-methyl-1-pentanol 3.56
    methyl formate 0.67
    2-methyl-1-butanol 1.65
    n-decane 0.58
    butyronitrile 1.35
    3,7-dimethyl-1-octanol 2.54
    1-chlorooctane 2.67
    1-chlorotetradecane 0.89
    n-nonane 0.48
    undecane 0.34
    tert-butylcyclohexane 1.75
    cyclooctane 0.57
    cyclopentanol 1.05
    tetrahydropyran 9.91
    tert-amyl methyl ether 7.03
    2,5,8-trioxanonane 19.24
    1-hexene 4.33
    2-isopropoxyethanol 3.15
    2,2,2-trifluoroethanol 0.31
    methyl butyrate 7.45

    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