Bixin

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  • Identifiers

    CAS number
    6983-79-5

    Molecular formula
    C25H30O4

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)OC)/C=C/C=C(\C)/C=C/C(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 55.44%
    Balsamic 43.51%
    Woody 40.73%
    Fruity 37.83%
    Oily 33.48%
    Spicy 33.35%
    Citrus 32.33%
    Floral 29.1%
    Fatty 28.72%
    Tropical 28.21%

     

    Flavor
    Balsam 26.99%
    Oriental 24.58%
    Nitrile 20.73%
    Balsamic 20.71%
    Mouldy 20.13%
    Ocimene 20.13%
    Bitter 20.05%
    Diterpene 19.63%
    Low 19.55%
    Basil 19.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    8.4 (weak base)

    Molecular weight
    394.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    478°C

    Melting point expt.

    • 189.5 - 190.5 °C

    Flash point

    • 276.08 ˚C est.

  • Synonyms

    • Bixin
    • 6983-79-5
    • (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
    • DTXSID1024629
    • Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate
    • 9L7T4VB66G
    • Annatto (E 160b)
    • E160b
    • CHEBI:3136
    • DTXCID304535
    • 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-
    • RefChem:29838
    • 230-248-7
    • cis-Bixin
    • 20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
    • Isobixin
    • Stable bixin
    • 6'-methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate
    • 6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate
    • C25H30O4
    • alpha-Bixin
    • 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid,4,8,13,17-tetramethyl-, monomethyl ester,(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-
    • EINECS 230-248-7
    • UNII-9L7T4VB66G
    • CCRIS 9384
    • a-Bixin
    • (9-cis)-6,6'-diapo-?,?-carotenedioic acid 6-methyl ester; a-Bixin; Bixinol
    • BIXINS CIS-FORM
    • .ALPHA.-BIXIN
    • BIXIN [MART.]
    • BIXINS CIS-FORM [MI]
    • orb1710247
    • SCHEMBL9939959
    • CHEMBL1172615
    • 6-Methyl hydrogen (9Z)-6,6'-diapocarotene-6,6'-dioate
    • HMS6018A15
    • Bixin, >=95.0% (HPLC)
    • HY-N6884
    • Tox21_303095
    • MFCD32197399
    • MSK157564
    • AKOS040732608
    • FB31050
    • NCGC00257045-01
    • MS-26633
    • CAS-6983-79-5
    • CS-0100483
    • C08582
    • Q424572
    • 6,6'-DIAPO-.PSI.,.PSI.-CAROTENEDIOIC ACID, 6-METHYL ESTER, 9-CIS-
    • (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
    • 2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID, 4,8,13,17-TETRAMETHYL-, 1-METHYL ESTER, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-
    • 6983-79-5

  • Applications

    Bixin (CAS 6983-79-5) is a natural lipophilic carotenoid pigment derived from annatto seeds, primarily used as a yellow–orange colorant in foods and beverages (in processed foods, butter, cheese, and snacks). It is also employed in cosmetics and personal care as a color additive, and functions as a pigment in coatings and inks for surfaces and printing. Additionally, bixin finds use in polymers/plastics to color plastics and polymer materials. In pharmaceuticals, it may be used as a coloring agent for tablets and certain topical formulations, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.75
    methanol 1.95
    isopropanol 0.88
    water 0.0
    ethyl acetate 1.9
    n-propanol 1.79
    acetone 2.83
    n-butanol 1.44
    acetonitrile 0.67
    DMF 9.34
    toluene 1.48
    isobutanol 0.82
    1,4-dioxane 6.0
    methyl acetate 2.27
    THF 43.21
    2-butanone 5.69
    n-pentanol 2.2
    sec-butanol 1.77
    n-hexane 0.2
    ethylene glycol 0.09
    NMP 12.25
    cyclohexane 0.13
    DMSO 12.61
    n-butyl acetate 1.7
    n-octanol 0.96
    chloroform 15.89
    n-propyl acetate 2.19
    acetic acid 1.45
    dichloromethane 13.1
    cyclohexanone 5.85
    propylene glycol 0.43
    isopropyl acetate 1.35
    DMAc 36.08
    2-ethoxyethanol 6.04
    isopentanol 1.11
    n-heptane 0.11
    ethyl formate 1.25
    1,2-dichloroethane 5.54
    n-hexanol 1.23
    2-methoxyethanol 4.42
    isobutyl acetate 1.35
    tetrachloromethane 0.84
    n-pentyl acetate 1.77
    transcutol 19.1
    n-heptanol 0.96
    ethylbenzene 1.53
    MIBK 1.82
    2-propoxyethanol 5.59
    tert-butanol 1.36
    MTBE 3.3
    2-butoxyethanol 4.03
    propionic acid 0.98
    o-xylene 1.08
    formic acid 0.57
    diethyl ether 2.36
    m-xylene 0.76
    p-xylene 1.62
    chlorobenzene 1.73
    dimethyl carbonate 1.1
    n-octane 0.06
    formamide 1.15
    cyclopentanone 9.38
    2-pentanone 2.86
    anisole 5.22
    cyclopentyl methyl ether 3.8
    gamma-butyrolactone 7.06
    1-methoxy-2-propanol 4.03
    pyridine 7.11
    3-pentanone 2.94
    furfural 6.31
    n-dodecane 0.05
    diethylene glycol 1.48
    diisopropyl ether 0.41
    tert-amyl alcohol 2.55
    acetylacetone 2.96
    n-hexadecane 0.05
    acetophenone 4.51
    methyl propionate 2.2
    isopentyl acetate 1.94
    trichloroethylene 12.89
    n-nonanol 1.19
    cyclohexanol 1.05
    benzyl alcohol 2.67
    2-ethylhexanol 1.03
    isooctanol 0.93
    dipropyl ether 2.12
    1,2-dichlorobenzene 1.88
    ethyl lactate 1.48
    propylene carbonate 2.35
    n-methylformamide 1.83
    2-pentanol 0.81
    n-pentane 0.09
    1-propoxy-2-propanol 4.1
    1-methoxy-2-propyl acetate 3.54
    2-(2-methoxypropoxy) propanol 6.56
    mesitylene 0.43
    ε-caprolactone 5.01
    p-cymene 0.67
    epichlorohydrin 16.08
    1,1,1-trichloroethane 3.04
    2-aminoethanol 0.48
    morpholine-4-carbaldehyde 9.99
    sulfolane 10.74
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 9.33
    n-hexyl acetate 2.31
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 7.34
    sec-butyl acetate 1.8
    tert-butyl acetate 2.26
    decalin 0.17
    glycerin 0.67
    diglyme 16.78
    acrylic acid 0.75
    isopropyl myristate 0.97
    n-butyric acid 1.51
    acetyl acetate 1.02
    di(2-ethylhexyl) phthalate 1.35
    ethyl propionate 2.21
    nitromethane 3.28
    1,2-diethoxyethane 5.21
    benzonitrile 1.43
    trioctyl phosphate 0.66
    1-bromopropane 3.43
    gamma-valerolactone 14.03
    n-decanol 0.78
    triethyl phosphate 1.77
    4-methyl-2-pentanol 0.64
    propionitrile 1.03
    vinylene carbonate 2.02
    1,1,2-trichlorotrifluoroethane 6.69
    DMS 1.52
    cumene 1.01
    2-octanol 0.64
    2-hexanone 4.06
    octyl acetate 1.2
    limonene 0.87
    1,2-dimethoxyethane 15.36
    ethyl orthosilicate 2.08
    tributyl phosphate 0.93
    diacetone alcohol 3.34
    N,N-dimethylaniline 4.5
    acrylonitrile 1.12
    aniline 1.58
    1,3-propanediol 0.83
    bromobenzene 1.84
    dibromomethane 7.09
    1,1,2,2-tetrachloroethane 12.46
    2-methyl-cyclohexyl acetate 3.05
    tetrabutyl urea 2.16
    diisobutyl methanol 0.71
    2-phenylethanol 2.26
    styrene 1.65
    dioctyl adipate 2.17
    dimethyl sulfate 2.39
    ethyl butyrate 2.16
    methyl lactate 1.05
    butyl lactate 1.82
    diethyl carbonate 1.32
    propanediol butyl ether 2.51
    triethyl orthoformate 2.77
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 4.22
    morpholine 9.97
    tert-butylamine 0.74
    n-dodecanol 0.49
    dimethoxymethane 6.69
    ethylene carbonate 1.34
    cyrene 7.35
    2-ethoxyethyl acetate 3.4
    2-ethylhexyl acetate 1.67
    1,2,4-trichlorobenzene 2.82
    4-methylpyridine 5.07
    dibutyl ether 1.96
    2,6-dimethyl-4-heptanol 0.71
    DEF 4.95
    dimethyl isosorbide 14.6
    tetrachloroethylene 5.13
    eugenol 4.61
    triacetin 2.85
    span 80 3.65
    1,4-butanediol 0.51
    1,1-dichloroethane 3.34
    2-methyl-1-pentanol 2.34
    methyl formate 1.2
    2-methyl-1-butanol 1.38
    n-decane 0.11
    butyronitrile 1.24
    3,7-dimethyl-1-octanol 1.06
    1-chlorooctane 0.67
    1-chlorotetradecane 0.2
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.18
    cyclooctane 0.04
    cyclopentanol 1.41
    tetrahydropyran 6.75
    tert-amyl methyl ether 3.69
    2,5,8-trioxanonane 11.89
    1-hexene 1.22
    2-isopropoxyethanol 3.8
    2,2,2-trifluoroethanol 0.42
    methyl butyrate 3.16

    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