Astaxanthin

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  • Identifiers

    CAS number
    472-61-7

    Molecular formula
    C40H52O4

    SMILES
    CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.38%
    Fruity 51.52%
    Sweet 49.14%
    Floral 43.92%
    Balsamic 35.9%
    Spicy 35.16%
    Berry 34.58%
    Tropical 34.27%
    Powdery 34.16%
    Fresh 25.77%

     

    Flavor
    Bitter 29.92%
    Balsam 25.25%
    Oriental 23.22%
    Basil 19.99%
    Low 19.57%
    Nitrile 19.55%
    Diterpene 19.44%
    Ocimene 19.01%
    Spicy 18.88%
    Opoponax 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.3

    pKa est.
    6.83 (neutral)

    Molecular weight
    596.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1232°C

    Melting point expt.

    • 182-183 °C
    • Reported as shiny purple platelets with gold luster from pyridine; MP: 216 °C; readily soluble in pyridine
    • 182.5 °C

    Flash point

    • 298.15 ˚C est.

  • Synonyms

    • Astaxanthin
    • 472-61-7
    • Ovoester
    • all-trans-Astaxanthin
    • BioAstin
    • AstaREAL
    • Astaxanthine
    • (3S,3'S)-Astaxanthin
    • Carophyll Pink
    • 8XPW32PR7I
    • (3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
    • NSC-635689
    • 3,3'-Dihydroxy-beta-carotene-4,4'-dione
    • CHEBI:40968
    • DTXSID00893777
    • beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-
    • E9AI950EAH
    • RefChem:115249
    • DTXCID101323822
    • 207-451-4
    • 231-424-6
    • MFCD00672621
    • Astaxanthin, (3S,3'S)-
    • (3S,3'S)-all-trans-Astaxanthin
    • (6S,6'S)-3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-enone)
    • beta-Carotene-4,4'-dione
    • 3,3'-DIHYDROXY-B,B-CAROTENE-4,4'-DIONE
    • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
    • .beta.,.beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-
    • Algae Haematococcus pluvialis
    • Natupink
    • C40H52O4
    • Lucantin Pink
    • trans-Astaxanthin
    • BioAstin oleoresin
    • (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
    • Astaxanthin (6CI)
    • Astaxanthin, all-trans-
    • UNII-8XPW32PR7I
    • astaxantin
    • CCRIS 7118
    • HSDB 7468
    • EINECS 207-451-4
    • NSC 635689
    • Astaxanthin - 95%
    • 3S,3'S-Astaxanthin
    • Astaxanthin, all-trans-, (3S,3'S)-
    • Astaxanthin Oil 10%
    • Astaxanthin (Standard)
    • Astaxanthin, 5% active
    • ASTAXANTHIN [MI]
    • ASTAXANTHIN [HSDB]
    • ASTAXANTHIN [VANDF]
    • ASTAXANTHIN [MART.]
    • SCHEMBL20047
    • ASTAXANTHIN [USP-RS]
    • ASTAXANTHIN [WHO-DD]
    • E161j
    • orb1304500
    • orb3025903
    • CHEMBL1255871
    • Astaxanthin, >=98% (HPLC)
    • E 161j
    • HY-B2163R
    • MSK2471
    • all-trans-(3S,3'S)-astaxanthin
    • 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, (3S,3'S)-
    • HMS3885C08
    • HY-B2163
    • LMPR01070263
    • s3834
    • AKOS015841055
    • AKOS015895756
    • AC-8760
    • CCG-270185
    • DB06543
    • FA18001
    • 3,3'-Dhydroxy-4,4'-diketo-b-carotene
    • all-trans-Astaxanthin, analytical standard
    • AS-14095
    • SY028564
    • XA161878
    • CS-0020413
    • NS00018032
    • C08580
    • M01303
    • 3,3'-dihydroxy-4,4'-diketo-beta,beta-carotene
    • 472A617
    • Q413740
    • 3,3'-DIHYDROXY-4,4'-DIKETO-.BETA.-CAROTENE
    • BRD-K51832961-001-01-4
    • all-trans-3,3'-dihydroxy-b-Carotene-4,4'-dione (8CI)
    • .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans-
    • all-trans-3,3'-dihydroxy-beta-Carotene-4,4'-dione (8CI)
    • Astaxanthin(3,3-Dihydroxy-Beta,Beta-Carotene-4,4-Dione)
    • 3,3'-Dihydroxy-.beta.,.beta.-carotene-4,4'-dione, (3S,3'S)-
    • (3S,3'S)-3,3'-DIHYDROXY-.BETA.,.BETA.-CAROTENE-4,4'-DIONE
    • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
    • (6S,6 inverted exclamation mark S)-3,3 inverted exclamation mark -[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl]bis(6-hydroxy-2,4,4-trimethyl-2-cyclohexenone)
    • 472-61-7

  • Applications

    Astaxanthin, CAS 472-61-7, is primarily used as a natural pigment and antioxidant across multiple industries: as a colorant for farmed seafood and to color fish flesh and crustaceans in feed; as an ingredient in dietary supplements/nutraceuticals; as a colorant and functional additive in processed foods and beverages; in cosmetics and personal care as an antioxidant and color-stabilizing active; and as a feed additive for pets and other animals, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.12
    methanol 0.19
    isopropanol 0.03
    water 0.0
    ethyl acetate 0.24
    n-propanol 0.13
    acetone 0.3
    n-butanol 0.13
    acetonitrile 0.05
    DMF 1.09
    toluene 0.52
    isobutanol 0.07
    1,4-dioxane 0.97
    methyl acetate 0.23
    THF 5.08
    2-butanone 0.57
    n-pentanol 0.26
    sec-butanol 0.08
    n-hexane 0.08
    ethylene glycol 0.01
    NMP 4.43
    cyclohexane 0.04
    DMSO 0.67
    n-butyl acetate 0.4
    n-octanol 0.19
    chloroform 1.48
    n-propyl acetate 0.43
    acetic acid 0.17
    dichloromethane 1.29
    cyclohexanone 1.05
    propylene glycol 0.02
    isopropyl acetate 0.19
    DMAc 2.86
    2-ethoxyethanol 0.65
    isopentanol 0.1
    n-heptane 0.06
    ethyl formate 0.2
    1,2-dichloroethane 0.49
    n-hexanol 0.22
    2-methoxyethanol 0.39
    isobutyl acetate 0.31
    tetrachloromethane 0.16
    n-pentyl acetate 0.72
    transcutol 2.21
    n-heptanol 0.27
    ethylbenzene 0.51
    MIBK 0.3
    2-propoxyethanol 1.06
    tert-butanol 0.03
    MTBE 0.3
    2-butoxyethanol 1.01
    propionic acid 0.1
    o-xylene 0.32
    formic acid 0.09
    diethyl ether 0.33
    m-xylene 0.35
    p-xylene 0.44
    chlorobenzene 0.52
    dimethyl carbonate 0.2
    n-octane 0.03
    formamide 0.12
    cyclopentanone 1.84
    2-pentanone 0.43
    anisole 1.21
    cyclopentyl methyl ether 1.09
    gamma-butyrolactone 1.46
    1-methoxy-2-propanol 0.34
    pyridine 1.52
    3-pentanone 0.48
    furfural 1.56
    n-dodecane 0.01
    diethylene glycol 0.17
    diisopropyl ether 0.09
    tert-amyl alcohol 0.12
    acetylacetone 0.43
    n-hexadecane 0.02
    acetophenone 0.98
    methyl propionate 0.37
    isopentyl acetate 0.46
    trichloroethylene 1.56
    n-nonanol 0.26
    cyclohexanol 0.11
    benzyl alcohol 0.47
    2-ethylhexanol 0.24
    isooctanol 0.25
    dipropyl ether 0.65
    1,2-dichlorobenzene 0.54
    ethyl lactate 0.2
    propylene carbonate 0.46
    n-methylformamide 0.26
    2-pentanol 0.07
    n-pentane 0.03
    1-propoxy-2-propanol 0.7
    1-methoxy-2-propyl acetate 0.7
    2-(2-methoxypropoxy) propanol 1.28
    mesitylene 0.17
    ε-caprolactone 1.18
    p-cymene 0.22
    epichlorohydrin 2.4
    1,1,1-trichloroethane 0.33
    2-aminoethanol 0.03
    morpholine-4-carbaldehyde 2.48
    sulfolane 2.62
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.53
    n-hexyl acetate 0.75
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 1.32
    sec-butyl acetate 0.34
    tert-butyl acetate 0.36
    decalin 0.07
    glycerin 0.04
    diglyme 3.01
    acrylic acid 0.1
    isopropyl myristate 0.24
    n-butyric acid 0.2
    acetyl acetate 0.16
    di(2-ethylhexyl) phthalate 0.4
    ethyl propionate 0.45
    nitromethane 0.37
    1,2-diethoxyethane 1.07
    benzonitrile 0.25
    trioctyl phosphate 0.22
    1-bromopropane 0.39
    gamma-valerolactone 3.56
    n-decanol 0.15
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.07
    propionitrile 0.11
    vinylene carbonate 0.49
    1,1,2-trichlorotrifluoroethane 1.02
    DMS 0.35
    cumene 0.31
    2-octanol 0.15
    2-hexanone 0.83
    octyl acetate 0.36
    limonene 0.29
    1,2-dimethoxyethane 2.1
    ethyl orthosilicate 0.51
    tributyl phosphate 0.23
    diacetone alcohol 0.36
    N,N-dimethylaniline 1.13
    acrylonitrile 0.13
    aniline 0.29
    1,3-propanediol 0.07
    bromobenzene 0.66
    dibromomethane 0.76
    1,1,2,2-tetrachloroethane 1.05
    2-methyl-cyclohexyl acetate 0.75
    tetrabutyl urea 0.47
    diisobutyl methanol 0.11
    2-phenylethanol 0.51
    styrene 0.48
    dioctyl adipate 0.57
    dimethyl sulfate 0.45
    ethyl butyrate 0.54
    methyl lactate 0.15
    butyl lactate 0.42
    diethyl carbonate 0.25
    propanediol butyl ether 0.42
    triethyl orthoformate 0.72
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 1.24
    morpholine 1.23
    tert-butylamine 0.03
    n-dodecanol 0.08
    dimethoxymethane 0.96
    ethylene carbonate 0.32
    cyrene 1.85
    2-ethoxyethyl acetate 1.2
    2-ethylhexyl acetate 0.5
    1,2,4-trichlorobenzene 0.7
    4-methylpyridine 1.02
    dibutyl ether 0.43
    2,6-dimethyl-4-heptanol 0.11
    DEF 0.81
    dimethyl isosorbide 3.21
    tetrachloroethylene 0.68
    eugenol 1.11
    triacetin 0.66
    span 80 0.77
    1,4-butanediol 0.04
    1,1-dichloroethane 0.25
    2-methyl-1-pentanol 0.32
    methyl formate 0.22
    2-methyl-1-butanol 0.15
    n-decane 0.04
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.19
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.07
    cyclooctane 0.03
    cyclopentanol 0.14
    tetrahydropyran 0.89
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 1.9
    1-hexene 0.32
    2-isopropoxyethanol 0.46
    2,2,2-trifluoroethanol 0.05
    methyl butyrate 0.61

    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