Crocin

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  • Identifiers

    CAS number
    42553-65-1

    Molecular formula
    C44H64O24

    SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.04%
    Sweet 31.78%
    Spicy 24.84%
    Milky 19.27%
    Savory 18.29%
    Warm 17.43%
    Fresh 16.91%
    Citrus 16.7%
    Lactonic 15.94%
    Woody 15.15%

     

    Flavor
    Bitter 77.63%
    Odorless 27.32%
    Bland 23.97%
    Sweet-like 22.73%
    Cedarleaf 20.35%
    Lovage 19.06%
    Nitrile 19.0%
    Oriental 18.9%
    Parsley 18.82%
    Heather 18.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.5

    pKa est.
    6.26 (neutral)

    Molecular weight
    977.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6330°C

    Melting point expt.

    • 186 °C (effervescence) /Di-gentiobiose ester/
    • 186 °C

    Flash point

    • 293.76 ˚C est.

    Solubility expt.

    • Freely soluble in hot water, giving an orange-colored solution /Di-gentiobiose ester/
    • Sparingly soluble in absolute alcohol, ether, other organic solvents /Di-gentiobiose ester/

  • Synonyms

    • Crocin
    • 42553-65-1
    • Crocine
    • Crocin 1
    • Crocin A
    • alpha-Crocin
    • Crocetin bis(gentiobiosyl) ester
    • trans-Crocetin di(beta-D-gentiobiosyl) ester
    • crocetin di-gentiobiose ester
    • DTXSID7046172
    • 877GWI46C2
    • all-trans-Crocetin di-beta-D-gentiobiosyl ester
    • DTXCID201457
    • bis[(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
    • 39465-00-4
    • 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester
    • beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)
    • bis(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
    • bis((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
    • bis(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
    • RefChem:919204
    • 254-465-1
    • 255-881-6
    • Crocin I
    • Gardenia Yellow
    • 94238-00-3
    • crocin-1
    • Crocetin digentiobiose ester
    • .alpha.-crocin
    • crocetin digentiobioside
    • CHEMBL446785
    • 11012-59-2
    • NCGC00160471-01
    • trans-crocetin bis(beta-D-gentiobiosyl) ester
    • Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate
    • (2E,4E,6E,8E,10E,12E,14E)-Bis((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) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • trans-Crocin
    • trans-Crocin-4
    • CCRIS 678
    • CCRIS 7705
    • EINECS 255-881-6
    • BRN 6473367
    • UNII-F32BA2H92Z
    • UNII-877GWI46C2
    • HSDB 8211
    • trans-crocin 4
    • Natural red 1
    • bis((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
    • bis[(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
    • EINECS 254-465-1
    • Natural yellow 19
    • trans-4-GG
    • bis-gentiobiosyl-crocetin
    • CROCIN [WHO-DD]
    • Crocin - microscopy grade
    • F32BA2H92Z
    • orb1301900
    • SCHEMBL1463936
    • crocetin-di-beta-D-gentiobioside
    • CHEBI:79068
    • MSK2444
    • bis(beta-D-gentiobiosyl) crocetin
    • SEBIKDIMAPSUBY-RTJKDTQDSA-N
    • HMS3887O07
    • Crocetin Di(Beta-Gentiobiosyl)Ester
    • HY-N0697
    • crocetin di-beta-D-gentiobiose ester
    • Tox21_111837
    • BDBM50260195
    • s9511
    • crocetin di (beta-gentiobiosyl) ester
    • crocetin di(beta-D-gentabiosyl) ester
    • AKOS015896765
    • DB11874
    • EBC-618444
    • OC08286
    • NCGC00160471-02
    • 8,8'-Diapo-.psi.,.psi.-carotenedioic acid, bis(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl) ester
    • bis[(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
    • DA-72400
    • FC158408
    • FS-10544
    • CROCETIN DI-GENTIOBIOSE ESTER [MI]
    • CAS-42553-65-1
    • C.I. 75100
    • CS-0009714
    • trans crocetin di-(beta-D-gentiobiosyl) ester
    • trans-crocetin di-(beta-D-gentiobiosyl) ester
    • C08589
    • Q424767
    • TRANS-CROCETIN DI(.BETA.-D-GENTIOBIOSYL) ESTER
    • ALL-TRANS-CROCETIN DI-.BETA.-D-GENTIOBIOSYL ESTER
    • Bis(6-O-?-D-Glucopyranosyl-?-D-glucopyranosyl) 8,8'-diapo-?-?-carotenedioic acid ester
    • (2E,4E,6E,8E,10E,12E,14E)-Bis((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)2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • .BETA.-D-GLUCOPYRANOSE, 6-O-.BETA.-D-GLUCOPYRANOSYL-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE)
    • beta-D-Glucopyranose, 6-O-I(2)-D-glucopyranosyl-, 1,1a(2)-[(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate]
    • Bis(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
    • 42553-65-1

  • Applications

    Crocin (CAS 42553-65-1) is a natural carotenoid pigment derived from saffron. In the food processing industry, crocin is used as a natural colorant for foods and beverages. In cosmetics and personal care, it serves as a natural pigment for color cosmetics and skincare products. In inks and coatings, crocin can be employed as a natural dye pigment for printing inks and decorative coatings. In pharmaceutical and nutraceutical formulations, crocin may be used as a natural colorant for dosage forms and is sometimes evaluated as a color-stabilizing additive; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.99
    methanol 7.42
    isopropanol 0.96
    water 0.15
    ethyl acetate 1.13
    n-propanol 1.85
    acetone 2.12
    n-butanol 1.19
    acetonitrile 0.63
    DMF 18.66
    toluene 0.4
    isobutanol 0.66
    1,4-dioxane 5.25
    methyl acetate 1.6
    THF 11.29
    2-butanone 2.19
    n-pentanol 0.65
    sec-butanol 1.02
    n-hexane 0.02
    ethylene glycol 2.46
    NMP 24.71
    cyclohexane 0.05
    DMSO 23.25
    n-butyl acetate 0.25
    n-octanol 0.62
    chloroform 1.06
    n-propyl acetate 0.37
    acetic acid 7.76
    dichloromethane 1.11
    cyclohexanone 2.92
    propylene glycol 4.04
    isopropyl acetate 0.57
    DMAc 24.98
    2-ethoxyethanol 6.03
    isopentanol 0.52
    n-heptane 0.04
    ethyl formate 1.37
    1,2-dichloroethane 0.7
    n-hexanol 0.32
    2-methoxyethanol 14.6
    isobutyl acetate 0.14
    tetrachloromethane 0.16
    n-pentyl acetate 0.76
    transcutol 8.76
    n-heptanol 0.63
    ethylbenzene 0.13
    MIBK 0.5
    2-propoxyethanol 3.38
    tert-butanol 0.53
    MTBE 0.46
    2-butoxyethanol 3.33
    propionic acid 2.54
    o-xylene 0.27
    formic acid 10.95
    diethyl ether 0.91
    m-xylene 0.21
    p-xylene 0.11
    chlorobenzene 0.23
    dimethyl carbonate 2.4
    n-octane 0.03
    formamide 9.74
    cyclopentanone 6.23
    2-pentanone 1.47
    anisole 0.55
    cyclopentyl methyl ether 1.94
    gamma-butyrolactone 7.39
    1-methoxy-2-propanol 8.15
    pyridine 2.81
    3-pentanone 1.25
    furfural 6.64
    n-dodecane 0.02
    diethylene glycol 4.38
    diisopropyl ether 0.11
    tert-amyl alcohol 0.69
    acetylacetone 2.28
    n-hexadecane 0.02
    acetophenone 0.73
    methyl propionate 2.23
    isopentyl acetate 0.19
    trichloroethylene 1.44
    n-nonanol 0.62
    cyclohexanol 0.86
    benzyl alcohol 0.92
    2-ethylhexanol 0.16
    isooctanol 0.35
    dipropyl ether 0.43
    1,2-dichlorobenzene 0.21
    ethyl lactate 1.06
    propylene carbonate 1.91
    n-methylformamide 8.27
    2-pentanol 0.57
    n-pentane 0.04
    1-propoxy-2-propanol 1.98
    1-methoxy-2-propyl acetate 1.14
    2-(2-methoxypropoxy) propanol 2.32
    mesitylene 0.1
    ε-caprolactone 3.19
    p-cymene 0.07
    epichlorohydrin 5.37
    1,1,1-trichloroethane 0.24
    2-aminoethanol 3.73
    morpholine-4-carbaldehyde 19.86
    sulfolane 16.03
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.67
    n-hexyl acetate 0.82
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.71
    sec-butyl acetate 0.24
    tert-butyl acetate 0.49
    decalin 0.02
    glycerin 10.03
    diglyme 6.97
    acrylic acid 4.01
    isopropyl myristate 0.2
    n-butyric acid 2.31
    acetyl acetate 0.76
    di(2-ethylhexyl) phthalate 0.33
    ethyl propionate 0.53
    nitromethane 9.56
    1,2-diethoxyethane 1.21
    benzonitrile 0.35
    trioctyl phosphate 0.27
    1-bromopropane 0.31
    gamma-valerolactone 15.79
    n-decanol 0.36
    triethyl phosphate 0.26
    4-methyl-2-pentanol 0.2
    propionitrile 0.54
    vinylene carbonate 2.06
    1,1,2-trichlorotrifluoroethane 9.76
    DMS 0.82
    cumene 0.07
    2-octanol 0.39
    2-hexanone 0.51
    octyl acetate 0.42
    limonene 0.13
    1,2-dimethoxyethane 5.27
    ethyl orthosilicate 0.26
    tributyl phosphate 0.23
    diacetone alcohol 1.88
    N,N-dimethylaniline 0.52
    acrylonitrile 1.1
    aniline 0.99
    1,3-propanediol 4.36
    bromobenzene 0.16
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 1.42
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.5
    diisobutyl methanol 0.09
    2-phenylethanol 0.47
    styrene 0.15
    dioctyl adipate 0.45
    dimethyl sulfate 5.44
    ethyl butyrate 0.32
    methyl lactate 4.74
    butyl lactate 1.25
    diethyl carbonate 0.21
    propanediol butyl ether 3.8
    triethyl orthoformate 0.43
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 1.26
    morpholine 7.99
    tert-butylamine 0.17
    n-dodecanol 0.2
    dimethoxymethane 9.23
    ethylene carbonate 1.41
    cyrene 4.26
    2-ethoxyethyl acetate 1.78
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 1.52
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.09
    DEF 3.95
    dimethyl isosorbide 2.78
    tetrachloroethylene 0.95
    eugenol 1.27
    triacetin 1.46
    span 80 2.29
    1,4-butanediol 1.55
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.36
    methyl formate 5.79
    2-methyl-1-butanol 0.65
    n-decane 0.05
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 1.56
    tetrahydropyran 2.13
    tert-amyl methyl ether 0.63
    2,5,8-trioxanonane 4.37
    1-hexene 0.08
    2-isopropoxyethanol 2.1
    2,2,2-trifluoroethanol 3.43
    methyl butyrate 0.74

    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