Crocin 4

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  • Identifiers

    CAS number
    55750-86-2

    Molecular formula
    C27H36O9

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.12%
    Spicy 31.25%
    Fresh 28.17%
    Woody 26.57%
    Citrus 26.27%
    Green 26.1%
    Fruity 25.41%
    Floral 25.4%
    Balsamic 24.98%
    Oily 23.27%

     

    Flavor
    Bitter 49.89%
    Oriental 21.06%
    Odorless 19.77%
    Nitrile 19.54%
    Heather 19.48%
    Broom 19.44%
    Genet 19.43%
    Basil 19.39%
    Ocimene 19.11%
    Cedarleaf 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.04 (neutral)

    Molecular weight
    504.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1222°C

    Flash point

    • 271.92 ˚C est.

  • Synonyms

    • RefChem:1082263
    • 1-O-methyl 16-O-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • Crocin 4
    • Crocin-4
    • 55750-86-2
    • Crocin Impurity 5
    • orb1690459
    • DTXSID901105846
    • HY-N10183
    • AKOS040758197
    • CS-0370395
    • 1-methyl 16-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl) (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • 1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • I(2)-D-Glucopyranose, 1-[methyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate]
    • 55750-86-2

  • Applications

    Crocin 4 (CAS 55750-86-2) is a water-soluble carotenoid pigment used primarily as a natural colorant in foods and beverages as well as in cosmetics and personal care. It is also employed as a pigment in inks and coatings for packaging and decorative finishes, and may be used as a colorant in pharmaceutical formulations where permitted; in plastic and polymer formulations it serves as a color additive subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.11
    methanol 17.54
    isopropanol 4.92
    water 0.19
    ethyl acetate 6.08
    n-propanol 9.35
    acetone 16.54
    n-butanol 6.93
    acetonitrile 3.2
    DMF 55.76
    toluene 1.75
    isobutanol 4.4
    1,4-dioxane 18.99
    methyl acetate 9.03
    THF 60.87
    2-butanone 14.13
    n-pentanol 5.26
    sec-butanol 7.86
    n-hexane 0.2
    ethylene glycol 2.48
    NMP 74.27
    cyclohexane 0.31
    DMSO 101.78
    n-butyl acetate 1.15
    n-octanol 2.94
    chloroform 9.37
    n-propyl acetate 2.19
    acetic acid 31.85
    dichloromethane 10.02
    cyclohexanone 18.16
    propylene glycol 6.48
    isopropyl acetate 3.14
    DMAc 118.52
    2-ethoxyethanol 24.29
    isopentanol 4.0
    n-heptane 0.18
    ethyl formate 5.5
    1,2-dichloroethane 5.65
    n-hexanol 2.21
    2-methoxyethanol 39.6
    isobutyl acetate 0.94
    tetrachloromethane 1.23
    n-pentyl acetate 3.27
    transcutol 38.06
    n-heptanol 3.37
    ethylbenzene 0.89
    MIBK 3.42
    2-propoxyethanol 12.66
    tert-butanol 4.9
    MTBE 4.27
    2-butoxyethanol 12.34
    propionic acid 12.1
    o-xylene 1.58
    formic acid 20.97
    diethyl ether 4.94
    m-xylene 0.99
    p-xylene 0.96
    chlorobenzene 1.37
    dimethyl carbonate 8.89
    n-octane 0.13
    formamide 25.86
    cyclopentanone 29.27
    2-pentanone 8.71
    anisole 3.45
    cyclopentyl methyl ether 9.69
    gamma-butyrolactone 31.06
    1-methoxy-2-propanol 25.91
    pyridine 11.05
    3-pentanone 7.7
    furfural 19.22
    n-dodecane 0.08
    diethylene glycol 9.77
    diisopropyl ether 0.76
    tert-amyl alcohol 7.36
    acetylacetone 12.15
    n-hexadecane 0.09
    acetophenone 4.33
    methyl propionate 9.64
    isopentyl acetate 1.21
    trichloroethylene 12.94
    n-nonanol 2.98
    cyclohexanol 5.85
    benzyl alcohol 5.19
    2-ethylhexanol 1.08
    isooctanol 2.25
    dipropyl ether 1.9
    1,2-dichlorobenzene 1.42
    ethyl lactate 3.99
    propylene carbonate 8.38
    n-methylformamide 21.97
    2-pentanol 3.67
    n-pentane 0.24
    1-propoxy-2-propanol 6.89
    1-methoxy-2-propyl acetate 4.17
    2-(2-methoxypropoxy) propanol 9.8
    mesitylene 0.51
    ε-caprolactone 15.68
    p-cymene 0.41
    epichlorohydrin 28.44
    1,1,1-trichloroethane 2.83
    2-aminoethanol 7.94
    morpholine-4-carbaldehyde 47.44
    sulfolane 56.42
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 17.66
    n-hexyl acetate 4.36
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 14.31
    sec-butyl acetate 1.43
    tert-butyl acetate 3.4
    decalin 0.16
    glycerin 12.54
    diglyme 29.0
    acrylic acid 14.57
    isopropyl myristate 1.04
    n-butyric acid 11.7
    acetyl acetate 4.21
    di(2-ethylhexyl) phthalate 1.77
    ethyl propionate 3.02
    nitromethane 42.32
    1,2-diethoxyethane 5.51
    benzonitrile 1.7
    trioctyl phosphate 1.39
    1-bromopropane 2.4
    gamma-valerolactone 46.55
    n-decanol 1.76
    triethyl phosphate 1.55
    4-methyl-2-pentanol 1.5
    propionitrile 2.82
    vinylene carbonate 7.53
    1,1,2-trichlorotrifluoroethane 31.24
    DMS 3.6
    cumene 0.57
    2-octanol 1.91
    2-hexanone 3.83
    octyl acetate 2.08
    limonene 0.73
    1,2-dimethoxyethane 22.98
    ethyl orthosilicate 1.59
    tributyl phosphate 1.27
    diacetone alcohol 9.79
    N,N-dimethylaniline 3.2
    acrylonitrile 4.57
    aniline 4.43
    1,3-propanediol 11.38
    bromobenzene 1.08
    dibromomethane 4.67
    1,1,2,2-tetrachloroethane 11.6
    2-methyl-cyclohexyl acetate 1.72
    tetrabutyl urea 2.49
    diisobutyl methanol 0.55
    2-phenylethanol 2.69
    styrene 0.95
    dioctyl adipate 2.44
    dimethyl sulfate 18.15
    ethyl butyrate 1.48
    methyl lactate 12.01
    butyl lactate 4.41
    diethyl carbonate 1.12
    propanediol butyl ether 10.13
    triethyl orthoformate 2.05
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 6.4
    morpholine 31.06
    tert-butylamine 1.87
    n-dodecanol 1.01
    dimethoxymethane 30.09
    ethylene carbonate 5.87
    cyrene 15.34
    2-ethoxyethyl acetate 7.05
    2-ethylhexyl acetate 0.88
    1,2,4-trichlorobenzene 2.6
    4-methylpyridine 6.48
    dibutyl ether 1.8
    2,6-dimethyl-4-heptanol 0.55
    DEF 18.79
    dimethyl isosorbide 11.53
    tetrachloroethylene 8.05
    eugenol 6.14
    triacetin 6.55
    span 80 7.7
    1,4-butanediol 5.05
    1,1-dichloroethane 3.1
    2-methyl-1-pentanol 3.98
    methyl formate 15.77
    2-methyl-1-butanol 5.59
    n-decane 0.19
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 1.59
    1-chlorooctane 0.93
    1-chlorotetradecane 0.25
    n-nonane 0.17
    undecane 0.12
    tert-butylcyclohexane 0.12
    cyclooctane 0.14
    cyclopentanol 9.19
    tetrahydropyran 12.52
    tert-amyl methyl ether 5.02
    2,5,8-trioxanonane 17.32
    1-hexene 0.78
    2-isopropoxyethanol 11.19
    2,2,2-trifluoroethanol 12.28
    methyl butyrate 4.07

    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