Norbixin

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  • Identifiers

    CAS number
    542-40-5

    Molecular formula
    C24H28O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.95%
    Balsamic 44.56%
    Woody 38.41%
    Spicy 32.95%
    Oily 31.73%
    Fruity 31.54%
    Citrus 29.11%
    Fatty 28.63%
    Green 26.16%
    Floral 26.01%

     

    Flavor
    Balsam 28.63%
    Oriental 24.45%
    Balsamic 21.84%
    Bitter 21.48%
    Nitrile 21.1%
    Odorless 20.75%
    Ocimene 20.3%
    Mouldy 20.19%
    Diterpene 19.45%
    Low 19.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    8.46 (weak base)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    467°C

    Flash point

    • 301.43 ˚C est.

  • Synonyms

    • Norbixin
    • 542-40-5
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
    • E8M59E17AI
    • beta-norbixin
    • RefChem:927893
    • DTXSID4031803
    • 208-810-8
    • NORBIXIN(P)
    • 6,6'-Diapo-psi,psi-carotenedioic acid
    • trans-norbixin
    • Norbixin (>70%)
    • EINECS 208-810-8
    • 9'-cis-Diapo-omega,omega-carotinsaeure
    • UNII-E8M59E17AI
    • 9'-cis-6,6'-Diapocaroten-6,6'-disaeure
    • all-trans-Norbixin
    • .BETA.-NORBIXIN
    • ALL-TRANS NORBIXIN
    • NORBIXIN [MART.]
    • SCHEMBL42367
    • .BETA.-NORBIXIN [MI]
    • CHEBI:7623
    • orb1979951
    • orb2813852
    • CHEMBL1602127
    • DTXSID20274024
    • MSK5908
    • LMPR01070209
    • DB15201
    • 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-
    • NCGC00091554-01
    • NS00080280
    • C08608
    • H56723
    • Q1997371
    • (ALL-E)-4,8,13,17-TETRAMETHYL-2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID
    • 542-40-5

  • Applications

    Norbixin (CAS 542-40-5) is a natural, water-soluble annatto pigment used as a color additive in a range of applications. Common uses include coloring foods and beverages (notably dairy products, sauces, confectionery and beverages); cosmetics and personal care products (as a water-soluble colorant in creams, lotions, and makeup); pharmaceutical and nutraceutical formulations (as a permitted colorant for capsules and tablets where allowed); coatings, inks and plastics (in water-based systems and compatible resin formulations); and other industrial applications where a water-soluble annatto pigment is appropriate, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.32
    methanol 2.43
    isopropanol 1.24
    water 0.0
    ethyl acetate 1.17
    n-propanol 2.29
    acetone 2.88
    n-butanol 1.71
    acetonitrile 0.51
    DMF 13.74
    toluene 0.76
    isobutanol 1.01
    1,4-dioxane 3.63
    methyl acetate 1.65
    THF 35.74
    2-butanone 4.97
    n-pentanol 2.22
    sec-butanol 2.03
    n-hexane 0.22
    ethylene glycol 0.12
    NMP 14.17
    cyclohexane 0.09
    DMSO 17.17
    n-butyl acetate 1.55
    n-octanol 0.98
    chloroform 5.77
    n-propyl acetate 1.62
    acetic acid 1.32
    dichloromethane 4.31
    cyclohexanone 4.48
    propylene glycol 0.57
    isopropyl acetate 0.99
    DMAc 42.24
    2-ethoxyethanol 5.59
    isopentanol 1.23
    n-heptane 0.11
    ethyl formate 1.04
    1,2-dichloroethane 2.48
    n-hexanol 1.36
    2-methoxyethanol 5.22
    isobutyl acetate 0.93
    tetrachloromethane 0.47
    n-pentyl acetate 1.42
    transcutol 13.36
    n-heptanol 0.97
    ethylbenzene 0.87
    MIBK 1.54
    2-propoxyethanol 6.59
    tert-butanol 1.6
    MTBE 2.68
    2-butoxyethanol 3.95
    propionic acid 0.96
    o-xylene 0.71
    formic acid 0.59
    diethyl ether 1.76
    m-xylene 0.49
    p-xylene 0.94
    chlorobenzene 0.71
    dimethyl carbonate 0.92
    n-octane 0.06
    formamide 1.31
    cyclopentanone 9.06
    2-pentanone 2.53
    anisole 2.83
    cyclopentyl methyl ether 3.3
    gamma-butyrolactone 6.18
    1-methoxy-2-propanol 5.03
    pyridine 4.13
    3-pentanone 2.36
    furfural 4.38
    n-dodecane 0.04
    diethylene glycol 1.85
    diisopropyl ether 0.33
    tert-amyl alcohol 2.64
    acetylacetone 2.17
    n-hexadecane 0.05
    acetophenone 2.89
    methyl propionate 1.92
    isopentyl acetate 1.74
    trichloroethylene 5.28
    n-nonanol 1.15
    cyclohexanol 0.95
    benzyl alcohol 1.74
    2-ethylhexanol 0.96
    isooctanol 0.87
    dipropyl ether 1.98
    1,2-dichlorobenzene 0.84
    ethyl lactate 1.34
    propylene carbonate 1.89
    n-methylformamide 2.51
    2-pentanol 0.97
    n-pentane 0.1
    1-propoxy-2-propanol 4.95
    1-methoxy-2-propyl acetate 3.24
    2-(2-methoxypropoxy) propanol 5.5
    mesitylene 0.3
    ε-caprolactone 3.98
    p-cymene 0.52
    epichlorohydrin 10.11
    1,1,1-trichloroethane 1.48
    2-aminoethanol 0.63
    morpholine-4-carbaldehyde 9.02
    sulfolane 10.95
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 7.29
    n-hexyl acetate 1.99
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 6.2
    sec-butyl acetate 1.26
    tert-butyl acetate 1.67
    decalin 0.12
    glycerin 0.82
    diglyme 12.7
    acrylic acid 0.68
    isopropyl myristate 0.76
    n-butyric acid 1.41
    acetyl acetate 0.52
    di(2-ethylhexyl) phthalate 1.03
    ethyl propionate 1.73
    nitromethane 2.45
    1,2-diethoxyethane 3.58
    benzonitrile 0.79
    trioctyl phosphate 0.62
    1-bromopropane 1.96
    gamma-valerolactone 11.77
    n-decanol 0.74
    triethyl phosphate 1.42
    4-methyl-2-pentanol 0.66
    propionitrile 0.88
    vinylene carbonate 1.38
    1,1,2-trichlorotrifluoroethane 5.23
    DMS 1.24
    cumene 0.68
    2-octanol 0.67
    2-hexanone 3.28
    octyl acetate 1.0
    limonene 0.69
    1,2-dimethoxyethane 12.91
    ethyl orthosilicate 1.66
    tributyl phosphate 0.82
    diacetone alcohol 3.18
    N,N-dimethylaniline 3.23
    acrylonitrile 0.94
    aniline 0.98
    1,3-propanediol 1.08
    bromobenzene 0.62
    dibromomethane 2.62
    1,1,2,2-tetrachloroethane 5.85
    2-methyl-cyclohexyl acetate 2.2
    tetrabutyl urea 1.92
    diisobutyl methanol 0.68
    2-phenylethanol 1.62
    styrene 0.83
    dioctyl adipate 1.56
    dimethyl sulfate 2.17
    ethyl butyrate 1.8
    methyl lactate 1.27
    butyl lactate 1.84
    diethyl carbonate 0.97
    propanediol butyl ether 2.9
    triethyl orthoformate 2.23
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 3.33
    morpholine 7.79
    tert-butylamine 0.84
    n-dodecanol 0.46
    dimethoxymethane 7.27
    ethylene carbonate 0.97
    cyrene 6.04
    2-ethoxyethyl acetate 2.4
    2-ethylhexyl acetate 1.45
    1,2,4-trichlorobenzene 1.28
    4-methylpyridine 3.06
    dibutyl ether 1.55
    2,6-dimethyl-4-heptanol 0.68
    DEF 4.46
    dimethyl isosorbide 11.99
    tetrachloroethylene 2.62
    eugenol 3.54
    triacetin 2.01
    span 80 3.05
    1,4-butanediol 0.58
    1,1-dichloroethane 1.66
    2-methyl-1-pentanol 2.0
    methyl formate 1.32
    2-methyl-1-butanol 1.43
    n-decane 0.09
    butyronitrile 1.02
    3,7-dimethyl-1-octanol 1.0
    1-chlorooctane 0.53
    1-chlorotetradecane 0.16
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.14
    cyclooctane 0.03
    cyclopentanol 1.51
    tetrahydropyran 4.4
    tert-amyl methyl ether 3.19
    2,5,8-trioxanonane 9.01
    1-hexene 1.15
    2-isopropoxyethanol 3.36
    2,2,2-trifluoroethanol 0.38
    methyl butyrate 2.52

    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