Fucoxanthin

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  • Identifiers

    CAS number
    3351-86-8

    Molecular formula
    C42H58O6

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.63%
    Floral 55.48%
    Sweet 52.84%
    Fruity 44.89%
    Powdery 37.69%
    Berry 36.93%
    Tropical 33.63%
    Balsamic 33.59%
    Fresh 33.28%
    Violet 29.69%

     

    Flavor
    Bitter 28.01%
    Oriental 20.89%
    Heather 19.83%
    Mouldy 19.62%
    Broom 19.54%
    Ocimene 19.4%
    Genet 19.29%
    Basil 19.28%
    Woody 19.26%
    Sandalwood 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    -889.3 (strong acid)

    Molecular weight
    658.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1051°C

    Flash point

    • -4550.21 ˚C est.

  • Synonyms

    • Fucoxanthin
    • 3351-86-8
    • all-trans-Fucoxanthin
    • 06O0TC0VSM
    • CHEBI:5186
    • (3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
    • (1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetate
    • (3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene
    • (3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate
    • Fucoxanthin, all-trans-
    • CCRIS 4055
    • C42H58O6
    • UNII-06O0TC0VSM
    • BRN 0073179
    • Fucoxanthine
    • (1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
    • .alpha.-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, all-trans-
    • (all-E)-fucoxanthin
    • Fucoxanthine - 10%
    • Fucoxanthine - 50%
    • Fucoxanthin (Standard)
    • FUCOXANTHIN [MI]
    • SCHEMBL37284
    • FUCOXANTHIN [WHO-DD]
    • 5-18-04-00673 (Beilstein Handbook Reference)
    • MLS000728353
    • orb1299672
    • Fucoxanthin, analytical standard
    • HY-N2302R
    • SJWWTRQNNRNTPU-ABBNZJFMSA-
    • SJWWTRQNNRNTPU-ABBNZJFMSA-N
    • DTXSID901031617
    • Fucoxanthin, carotenoid antioxidant
    • HMS2219K22
    • Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)
    • HY-N2302
    • EX-A12298
    • LMPR01070300
    • MFCD01745140
    • AKOS037514648
    • CS-8167
    • EBC-606221
    • FF12404
    • FF45341
    • NCGC00247434-01
    • AS-56344
    • beta,beta-Carotene, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-, (3S,3'S,5R,5'R,6S,6'R)-
    • DA-73575
    • SMR000453597
    • XF162694
    • C08596
    • Q96385
    • 351F868
    • ALL-E-(3S,5R,6S,3'S,5'R,6'R)-FUCOXANTHIN
    • (3S,3'S,5R,5'R,6S,6'R)-6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-.BETA.,.BETA.-CAROTEN-8(5H)-ONE
    • (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-
    • (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate
    • .ALPHA.-CAROTENE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-, 3'-ACETATE
    • .BETA.,.BETA.-CAROTEN-8(5H)-ONE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-, (3S,3'S,5R,5'R,6S,6'R)-
    • 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-.ALPHA.-CAROTENE 3'-ACETATE
    • 6'R,?7'-?didehydro-?5R,?6-?epoxy-?4',?5',?6S,?7-?tetrahydro-?3S,?3'S,?5'R-?trihydroxy-?|A,?|A-?caroten-?8(5H)-?one
    • 6'R,7'-didehydro-5R,6-epoxy-4',5',6S,7-tetrahydro-3S,3'S,5'R-trihydroxy-|A,|A-caroten-8(5H)-one
    • InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-
    • 3351-86-8

  • Applications

    Fucoxanthin (CAS 3351-86-8) is a marine-derived carotenoid pigment used as a natural colorant and antioxidant in cosmetics/personal care; as an ingredient in nutraceuticals/functional foods; in food processing as a natural colorant and antioxidant; and is studied or used as a stabilizer and colorant in polymers, coatings, and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.53
    methanol 3.78
    isopropanol 0.22
    water 0.0
    ethyl acetate 1.05
    n-propanol 1.2
    acetone 1.6
    n-butanol 0.72
    acetonitrile 0.76
    DMF 8.62
    toluene 0.45
    isobutanol 0.5
    1,4-dioxane 3.46
    methyl acetate 1.28
    THF 9.93
    2-butanone 2.42
    n-pentanol 1.17
    sec-butanol 0.4
    n-hexane 0.03
    ethylene glycol 0.21
    NMP 19.88
    cyclohexane 0.03
    DMSO 4.74
    n-butyl acetate 1.1
    n-octanol 0.5
    chloroform 7.41
    n-propyl acetate 1.65
    acetic acid 3.22
    dichloromethane 6.86
    cyclohexanone 3.45
    propylene glycol 0.5
    isopropyl acetate 0.57
    DMAc 13.43
    2-ethoxyethanol 5.33
    isopentanol 0.43
    n-heptane 0.03
    ethyl formate 1.57
    1,2-dichloroethane 1.82
    n-hexanol 0.67
    2-methoxyethanol 4.58
    isobutyl acetate 1.12
    tetrachloromethane 0.35
    n-pentyl acetate 1.22
    transcutol 8.03
    n-heptanol 0.61
    ethylbenzene 0.35
    MIBK 0.79
    2-propoxyethanol 6.42
    tert-butanol 0.19
    MTBE 0.37
    2-butoxyethanol 3.89
    propionic acid 1.46
    o-xylene 0.23
    formic acid 2.56
    diethyl ether 0.57
    m-xylene 0.22
    p-xylene 0.42
    chlorobenzene 1.07
    dimethyl carbonate 1.16
    n-octane 0.01
    formamide 2.63
    cyclopentanone 6.86
    2-pentanone 1.37
    anisole 2.05
    cyclopentyl methyl ether 1.41
    gamma-butyrolactone 8.07
    1-methoxy-2-propanol 2.68
    pyridine 5.41
    3-pentanone 1.21
    furfural 10.31
    n-dodecane 0.01
    diethylene glycol 2.26
    diisopropyl ether 0.09
    tert-amyl alcohol 0.35
    acetylacetone 1.87
    n-hexadecane 0.01
    acetophenone 2.78
    methyl propionate 1.56
    isopentyl acetate 0.99
    trichloroethylene 7.16
    n-nonanol 0.57
    cyclohexanol 0.35
    benzyl alcohol 2.03
    2-ethylhexanol 0.44
    isooctanol 0.48
    dipropyl ether 0.74
    1,2-dichlorobenzene 1.22
    ethyl lactate 1.46
    propylene carbonate 2.97
    n-methylformamide 4.13
    2-pentanol 0.21
    n-pentane 0.02
    1-propoxy-2-propanol 2.82
    1-methoxy-2-propyl acetate 2.32
    2-(2-methoxypropoxy) propanol 3.83
    mesitylene 0.09
    ε-caprolactone 4.22
    p-cymene 0.18
    epichlorohydrin 11.01
    1,1,1-trichloroethane 1.0
    2-aminoethanol 1.05
    morpholine-4-carbaldehyde 14.73
    sulfolane 11.2
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.84
    n-hexyl acetate 1.54
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.6
    sec-butyl acetate 0.84
    tert-butyl acetate 0.74
    decalin 0.03
    glycerin 1.1
    diglyme 8.66
    acrylic acid 2.04
    isopropyl myristate 0.38
    n-butyric acid 1.56
    acetyl acetate 0.77
    di(2-ethylhexyl) phthalate 1.21
    ethyl propionate 1.36
    nitromethane 6.73
    1,2-diethoxyethane 1.53
    benzonitrile 1.41
    trioctyl phosphate 0.53
    1-bromopropane 0.71
    gamma-valerolactone 18.61
    n-decanol 0.31
    triethyl phosphate 0.87
    4-methyl-2-pentanol 0.16
    propionitrile 0.84
    vinylene carbonate 3.89
    1,1,2-trichlorotrifluoroethane 10.33
    DMS 1.11
    cumene 0.24
    2-octanol 0.23
    2-hexanone 2.28
    octyl acetate 0.71
    limonene 0.24
    1,2-dimethoxyethane 7.53
    ethyl orthosilicate 0.81
    tributyl phosphate 0.58
    diacetone alcohol 1.35
    N,N-dimethylaniline 1.39
    acrylonitrile 1.53
    aniline 0.82
    1,3-propanediol 1.01
    bromobenzene 1.02
    dibromomethane 2.48
    1,1,2,2-tetrachloroethane 4.32
    2-methyl-cyclohexyl acetate 1.82
    tetrabutyl urea 1.12
    diisobutyl methanol 0.14
    2-phenylethanol 1.83
    styrene 0.44
    dioctyl adipate 1.37
    dimethyl sulfate 2.35
    ethyl butyrate 1.32
    methyl lactate 1.49
    butyl lactate 1.6
    diethyl carbonate 0.85
    propanediol butyl ether 2.71
    triethyl orthoformate 1.23
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 2.49
    morpholine 5.7
    tert-butylamine 0.09
    n-dodecanol 0.17
    dimethoxymethane 4.67
    ethylene carbonate 2.22
    cyrene 8.29
    2-ethoxyethyl acetate 2.76
    2-ethylhexyl acetate 0.92
    1,2,4-trichlorobenzene 1.89
    4-methylpyridine 2.97
    dibutyl ether 0.42
    2,6-dimethyl-4-heptanol 0.14
    DEF 2.66
    dimethyl isosorbide 7.56
    tetrachloroethylene 2.49
    eugenol 3.34
    triacetin 2.37
    span 80 2.78
    1,4-butanediol 0.67
    1,1-dichloroethane 0.91
    2-methyl-1-pentanol 0.87
    methyl formate 2.89
    2-methyl-1-butanol 0.58
    n-decane 0.02
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.37
    1-chlorooctane 0.19
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 0.61
    tetrahydropyran 1.91
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 5.42
    1-hexene 0.22
    2-isopropoxyethanol 2.82
    2,2,2-trifluoroethanol 0.98
    methyl butyrate 2.17

    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