Crocin 2

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  • Identifiers

    CAS number
    55750-84-0

    Molecular formula
    C38H54O19

    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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.71%
    Sweet 31.76%
    Spicy 26.76%
    Milky 18.88%
    Fresh 18.79%
    Citrus 18.5%
    Warm 18.08%
    Savory 17.48%
    Lactonic 16.57%
    Herbal 16.05%

     

    Flavor
    Bitter 76.66%
    Odorless 25.46%
    Bland 22.18%
    Sweet-like 21.2%
    Cedarleaf 20.21%
    Nitrile 19.12%
    Oriental 19.09%
    Lovage 19.08%
    Heather 18.82%
    Parsley 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    5.13 (weak acid)

    Molecular weight
    814.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6455°C

    Flash point

    • 297.18 ˚C est.

  • Synonyms

    • 55750-84-0
    • crocetin gentiobiosylglucosyl ester
    • Crocin 2
    • ZF2MOD2N6Y
    • trans-Crocetin (beta-D-glucosyl)-(beta-D-gentiobiosyl) ester
    • DTXSID80856143
    • All-trans-crocetin beta-D-gentiobiosyl-beta-D-glucosyl ester
    • beta-D-Glucopyranose, 6-o-beta-D-glucopyranosyl-, 1-((2E,4E,6E,8E,10E,12E,14E)-beta-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)
    • RefChem:1082262
    • DTXCID301511479
    • Crocin II
    • tricrocin
    • 1-[(2E,4E,6E,8E,10E,12E,14E)-b-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate] 6-O-b-D-glucopyranosyl-b-D-Glucopyranose
    • beta-D-gentiobiosyl beta-D-glucosyl crocetin
    • 1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • Crocetingentiobiosylglucosyl ester
    • trans-crocetin (beta-D-glucosyl)(beta-D-gentibiosyl) ester
    • trans-crocetin (beta-D-glucosyl)-(beta-D-gentibiosyl) ester
    • CrocinII
    • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)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-[(2E,4E,6E,8E,10E,12E,14E)-beta-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate] 6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
    • UNII-ZF2MOD2N6Y
    • crocin-III
    • trans-crocin 3
    • trans-crocin-3
    • Crocin Impurity 3
    • trans-3-Gg
    • C38H54O19
    • MFCD11111454
    • Crocin II (Standard)
    • gentiobiosyl-glucosyl-crocetin
    • orb1303760
    • CHEMBL2311863
    • SCHEMBL15726728
    • CHEBI:62771
    • HY-N0698R
    • HMS3887O09
    • HY-N0698
    • MSK14868
    • s9232
    • AKOS030530137
    • CCG-270508
    • EBC-615477
    • OC09382
    • AC-34859
    • AS-75256
    • CS-0009715
    • C17513
    • crocetin-beta-D-glucopyranosyl-beta-D-gentiobioside
    • crocetin (beta-D-glucosyl) (beta-gentiobiosyl) ester
    • Q27132166
    • crocetin (beta-D-glucosyl)-(beta-D-gentiobiosyl) ester
    • trans-crocetin (beta-D-gentiobiosyl)(beta-D-glucosyl) ester
    • trans crocetin (beta-D-gentiobiosyl)-(beta-D-glucosyl) ester
    • trans crocetin (beta-D-glucosyl)-(beta-D-gentiobiosyl) ester
    • trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester
    • ALL-TRANS-CROCETIN .BETA.-D-GENTIOBIOSYL-.BETA.-D-GLUCOSYL ESTER
    • TRANS-CROCETIN (.BETA.-D-GLUCOSYL)-(.BETA.-D-GENTIOBIOSYL) ESTER
    • .BETA.-D-GLUCOPYRANOSE, 6-O-.BETA.-D-GLUCOPYRANOSYL-, 1-((2E,4E,6E,8E,10E,12E,14E)-.BETA.-D-GLUCOPYRANOSYL 2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE)
    • 1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl) 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
    • O1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] O16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • 55750-84-0

  • Applications

    Crocin 2 (CAS 55750-84-0) is a water-soluble carotenoid pigment derived from saffron (Crocus sativus). It is used as a natural colorant across several industries: as a colorant for foods and beverages; as a color additive in cosmetics and personal care products; as a pigment in coatings, paints, and water-based inks; as a colorant for plastics and polymer formulations; and it may be evaluated for use in pharmaceutical or nutraceutical formulations under local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.09
    methanol 11.17
    isopropanol 1.64
    water 0.2
    ethyl acetate 1.9
    n-propanol 3.07
    acetone 3.99
    n-butanol 1.93
    acetonitrile 1.04
    DMF 26.95
    toluene 0.57
    isobutanol 1.12
    1,4-dioxane 7.57
    methyl acetate 2.74
    THF 17.4
    2-butanone 3.65
    n-pentanol 1.14
    sec-butanol 1.76
    n-hexane 0.03
    ethylene glycol 3.51
    NMP 39.17
    cyclohexane 0.08
    DMSO 38.07
    n-butyl acetate 0.4
    n-octanol 0.96
    chloroform 1.88
    n-propyl acetate 0.65
    acetic acid 15.38
    dichloromethane 1.94
    cyclohexanone 5.36
    propylene glycol 6.13
    isopropyl acetate 0.96
    DMAc 40.17
    2-ethoxyethanol 8.99
    isopentanol 0.88
    n-heptane 0.05
    ethyl formate 2.31
    1,2-dichloroethane 1.22
    n-hexanol 0.53
    2-methoxyethanol 20.67
    isobutyl acetate 0.24
    tetrachloromethane 0.28
    n-pentyl acetate 1.18
    transcutol 12.89
    n-heptanol 1.02
    ethylbenzene 0.19
    MIBK 0.87
    2-propoxyethanol 5.08
    tert-butanol 1.0
    MTBE 0.79
    2-butoxyethanol 4.84
    propionic acid 4.58
    o-xylene 0.4
    formic acid 16.83
    diethyl ether 1.37
    m-xylene 0.31
    p-xylene 0.18
    chlorobenzene 0.37
    dimethyl carbonate 3.88
    n-octane 0.04
    formamide 15.12
    cyclopentanone 10.28
    2-pentanone 2.47
    anisole 0.86
    cyclopentyl methyl ether 2.89
    gamma-butyrolactone 12.84
    1-methoxy-2-propanol 11.95
    pyridine 4.24
    3-pentanone 2.06
    furfural 9.94
    n-dodecane 0.03
    diethylene glycol 6.31
    diisopropyl ether 0.18
    tert-amyl alcohol 1.26
    acetylacetone 4.1
    n-hexadecane 0.03
    acetophenone 1.21
    methyl propionate 3.56
    isopentyl acetate 0.33
    trichloroethylene 2.55
    n-nonanol 0.95
    cyclohexanol 1.45
    benzyl alcohol 1.54
    2-ethylhexanol 0.26
    isooctanol 0.57
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.33
    ethyl lactate 1.71
    propylene carbonate 3.35
    n-methylformamide 12.42
    2-pentanol 0.91
    n-pentane 0.06
    1-propoxy-2-propanol 2.82
    1-methoxy-2-propyl acetate 1.77
    2-(2-methoxypropoxy) propanol 3.44
    mesitylene 0.15
    ε-caprolactone 5.62
    p-cymene 0.12
    epichlorohydrin 8.6
    1,1,1-trichloroethane 0.48
    2-aminoethanol 5.63
    morpholine-4-carbaldehyde 27.64
    sulfolane 26.93
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 4.32
    n-hexyl acetate 1.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.32
    sec-butyl acetate 0.42
    tert-butyl acetate 0.85
    decalin 0.03
    glycerin 14.58
    diglyme 9.92
    acrylic acid 7.35
    isopropyl myristate 0.32
    n-butyric acid 4.19
    acetyl acetate 1.41
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 0.89
    nitromethane 17.0
    1,2-diethoxyethane 1.79
    benzonitrile 0.55
    trioctyl phosphate 0.44
    1-bromopropane 0.51
    gamma-valerolactone 23.21
    n-decanol 0.55
    triethyl phosphate 0.44
    4-methyl-2-pentanol 0.34
    propionitrile 0.88
    vinylene carbonate 3.46
    1,1,2-trichlorotrifluoroethane 15.19
    DMS 1.36
    cumene 0.1
    2-octanol 0.6
    2-hexanone 0.88
    octyl acetate 0.67
    limonene 0.2
    1,2-dimethoxyethane 7.69
    ethyl orthosilicate 0.43
    tributyl phosphate 0.39
    diacetone alcohol 3.21
    N,N-dimethylaniline 0.8
    acrylonitrile 1.72
    aniline 1.54
    1,3-propanediol 6.79
    bromobenzene 0.26
    dibromomethane 0.87
    1,1,2,2-tetrachloroethane 2.53
    2-methyl-cyclohexyl acetate 0.43
    tetrabutyl urea 0.82
    diisobutyl methanol 0.15
    2-phenylethanol 0.77
    styrene 0.22
    dioctyl adipate 0.76
    dimethyl sulfate 8.6
    ethyl butyrate 0.51
    methyl lactate 7.47
    butyl lactate 1.93
    diethyl carbonate 0.34
    propanediol butyl ether 5.8
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.01
    morpholine 11.3
    tert-butylamine 0.31
    n-dodecanol 0.31
    dimethoxymethane 13.13
    ethylene carbonate 2.48
    cyrene 6.69
    2-ethoxyethyl acetate 2.78
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 2.3
    dibutyl ether 0.54
    2,6-dimethyl-4-heptanol 0.15
    DEF 6.22
    dimethyl isosorbide 4.2
    tetrachloroethylene 1.69
    eugenol 1.97
    triacetin 2.34
    span 80 3.4
    1,4-butanediol 2.58
    1,1-dichloroethane 0.64
    2-methyl-1-pentanol 0.68
    methyl formate 9.13
    2-methyl-1-butanol 1.13
    n-decane 0.06
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 0.38
    1-chlorooctane 0.26
    1-chlorotetradecane 0.07
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 2.69
    tetrahydropyran 3.31
    tert-amyl methyl ether 1.03
    2,5,8-trioxanonane 6.36
    1-hexene 0.13
    2-isopropoxyethanol 3.4
    2,2,2-trifluoroethanol 6.19
    methyl butyrate 1.25

    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