Auroxanthin

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  • Identifiers

    CAS number
    27785-15-5

    Molecular formula
    C40H56O4

    SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C1O[C@]2(C(=C1)C(C[C@@H](C2)O)(C)C)C)/C)/C)/C=C/C=C(/C3O[C@]4(C(=C3)C(C[C@@H](C4)O)(C)C)C)\C

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.76%
    Fruity 50.21%
    Floral 42.43%
    Sweet 41.96%
    Berry 36.64%
    Tropical 33.49%
    Powdery 30.87%
    Balsamic 29.74%
    Spicy 28.47%
    Sandalwood 28.38%

     

    Flavor
    Herbal 25.54%
    Bitter 25.39%
    Balsam 21.62%
    Oriental 21.48%
    Wood 21.25%
    Fresh 20.98%
    Spice 20.48%
    Spicy 20.28%
    Woody 20.01%
    Basil 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.04 (neutral)

    Molecular weight
    600.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    1062°C

    Flash point

    • 261.74 ˚C est.

  • Synonyms

    • Auroxanthin
    • DTXSID801319094
    • 27785-15-5
    • CHEBI:35335
    • RefChem:1077357
    • DTXCID901748050
    • 2-((2E,4E,6E,8E,10E,12E,14E)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
    • (3S,5R,8RS,3'S,5'R,8'RS)-5,8:5',8'-Diepoxy-5,8,5',8'-tetrahydro-beta,beta-carotene-3,3'-diol
    • (3S,3'S,5R,5'R,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-beta,beta-carotene-3,3'-diol
    • 27785-15-5

  • Applications

    Auroxanthin (CAS 27785-15-5) is a carotenoid pigment used primarily as a colorant in cosmetics and personal care products, as a pigmenting agent for coatings and inks, and as a colorant in plastics and polymer formulations; it is commonly considered for its potential antioxidant properties and as a stabilizer in certain formulations, while also serving as an intermediate in organic synthesis in some processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.24
    methanol 1.43
    isopropanol 0.25
    water 0.0
    ethyl acetate 2.98
    n-propanol 1.71
    acetone 1.92
    n-butanol 1.65
    acetonitrile 0.78
    DMF 6.83
    toluene 3.8
    isobutanol 0.95
    1,4-dioxane 5.37
    methyl acetate 2.13
    THF 19.8
    2-butanone 4.77
    n-pentanol 2.33
    sec-butanol 0.75
    n-hexane 0.31
    ethylene glycol 0.07
    NMP 28.24
    cyclohexane 0.24
    DMSO 3.44
    n-butyl acetate 4.27
    n-octanol 1.84
    chloroform 26.51
    n-propyl acetate 4.15
    acetic acid 2.34
    dichloromethane 19.2
    cyclohexanone 9.5
    propylene glycol 0.18
    isopropyl acetate 2.12
    DMAc 16.47
    2-ethoxyethanol 4.81
    isopentanol 1.25
    n-heptane 0.29
    ethyl formate 2.36
    1,2-dichloroethane 5.57
    n-hexanol 2.18
    2-methoxyethanol 3.43
    isobutyl acetate 3.54
    tetrachloromethane 1.76
    n-pentyl acetate 5.95
    transcutol 13.37
    n-heptanol 2.46
    ethylbenzene 2.34
    MIBK 2.89
    2-propoxyethanol 9.39
    tert-butanol 0.24
    MTBE 1.29
    2-butoxyethanol 8.54
    propionic acid 1.77
    o-xylene 1.71
    formic acid 1.04
    diethyl ether 2.16
    m-xylene 2.0
    p-xylene 2.47
    chlorobenzene 5.82
    dimethyl carbonate 1.94
    n-octane 0.1
    formamide 1.22
    cyclopentanone 13.46
    2-pentanone 4.06
    anisole 5.86
    cyclopentyl methyl ether 7.25
    gamma-butyrolactone 14.06
    1-methoxy-2-propanol 2.87
    pyridine 12.92
    3-pentanone 4.2
    furfural 14.65
    n-dodecane 0.07
    diethylene glycol 1.78
    diisopropyl ether 0.51
    tert-amyl alcohol 0.84
    acetylacetone 3.97
    n-hexadecane 0.08
    acetophenone 6.95
    methyl propionate 3.9
    isopentyl acetate 4.36
    trichloroethylene 19.73
    n-nonanol 2.38
    cyclohexanol 1.18
    benzyl alcohol 3.63
    2-ethylhexanol 2.25
    isooctanol 2.21
    dipropyl ether 3.83
    1,2-dichlorobenzene 6.33
    ethyl lactate 2.39
    propylene carbonate 6.06
    n-methylformamide 2.92
    2-pentanol 0.66
    n-pentane 0.16
    1-propoxy-2-propanol 5.75
    1-methoxy-2-propyl acetate 6.69
    2-(2-methoxypropoxy) propanol 8.48
    mesitylene 0.84
    ε-caprolactone 12.17
    p-cymene 1.37
    epichlorohydrin 19.28
    1,1,1-trichloroethane 3.86
    2-aminoethanol 0.45
    morpholine-4-carbaldehyde 17.89
    sulfolane 18.26
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 8.84
    n-hexyl acetate 6.71
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 8.97
    sec-butyl acetate 2.9
    tert-butyl acetate 2.84
    decalin 0.29
    glycerin 0.43
    diglyme 17.57
    acrylic acid 1.75
    isopropyl myristate 1.9
    n-butyric acid 3.58
    acetyl acetate 2.06
    di(2-ethylhexyl) phthalate 3.56
    ethyl propionate 4.37
    nitromethane 4.37
    1,2-diethoxyethane 4.81
    benzonitrile 3.21
    trioctyl phosphate 2.17
    1-bromopropane 4.32
    gamma-valerolactone 27.01
    n-decanol 1.29
    triethyl phosphate 3.08
    4-methyl-2-pentanol 0.63
    propionitrile 1.47
    vinylene carbonate 7.73
    1,1,2-trichlorotrifluoroethane 11.85
    DMS 3.11
    cumene 1.47
    2-octanol 1.11
    2-hexanone 5.42
    octyl acetate 2.88
    limonene 1.77
    1,2-dimethoxyethane 9.16
    ethyl orthosilicate 3.4
    tributyl phosphate 2.2
    diacetone alcohol 3.01
    N,N-dimethylaniline 4.78
    acrylonitrile 1.88
    aniline 2.91
    1,3-propanediol 0.79
    bromobenzene 7.43
    dibromomethane 9.99
    1,1,2,2-tetrachloroethane 12.81
    2-methyl-cyclohexyl acetate 6.23
    tetrabutyl urea 3.92
    diisobutyl methanol 0.76
    2-phenylethanol 4.52
    styrene 2.62
    dioctyl adipate 4.47
    dimethyl sulfate 4.36
    ethyl butyrate 4.96
    methyl lactate 1.93
    butyl lactate 4.94
    diethyl carbonate 2.58
    propanediol butyl ether 3.68
    triethyl orthoformate 5.25
    p-tert-butyltoluene 1.16
    methyl 4-tert-butylbenzoate 8.03
    morpholine 8.91
    tert-butylamine 0.17
    n-dodecanol 0.7
    dimethoxymethane 5.74
    ethylene carbonate 4.85
    cyrene 11.73
    2-ethoxyethyl acetate 8.84
    2-ethylhexyl acetate 4.74
    1,2,4-trichlorobenzene 8.14
    4-methylpyridine 8.81
    dibutyl ether 2.24
    2,6-dimethyl-4-heptanol 0.76
    DEF 6.82
    dimethyl isosorbide 16.88
    tetrachloroethylene 7.51
    eugenol 8.76
    triacetin 6.6
    span 80 6.69
    1,4-butanediol 0.4
    1,1-dichloroethane 3.17
    2-methyl-1-pentanol 2.46
    methyl formate 2.08
    2-methyl-1-butanol 1.78
    n-decane 0.19
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 1.61
    1-chlorooctane 1.38
    1-chlorotetradecane 0.33
    n-nonane 0.15
    undecane 0.1
    tert-butylcyclohexane 0.24
    cyclooctane 0.14
    cyclopentanol 1.46
    tetrahydropyran 6.37
    tert-amyl methyl ether 2.18
    2,5,8-trioxanonane 10.36
    1-hexene 1.52
    2-isopropoxyethanol 3.55
    2,2,2-trifluoroethanol 0.86
    methyl butyrate 5.57

    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