Crocetin

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  • Identifiers

    CAS number
    27876-94-4

    Molecular formula
    C20H24O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 54.02%
    Fruity 42.42%
    Woody 40.53%
    Balsamic 37.78%
    Spicy 34.61%
    Citrus 30.74%
    Oily 29.95%
    Fatty 29.28%
    Green 29.11%
    Floral 27.5%

     

    Flavor
    Balsam 24.3%
    Oriental 23.75%
    Odorless 21.47%
    Nitrile 21.0%
    Spicy 20.59%
    Ocimene 20.43%
    Mouldy 20.37%
    Balsamic 20.02%
    Basil 19.62%
    Bitter 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.74 (neutral)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    434°C

    Flash point

    • 263.42 ˚C est.

  • Synonyms

    • Crocetin
    • 27876-94-4
    • Transcrocetin
    • trans-Crocetin
    • 8,8'-Diapocarotenedioic acid
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
    • Transcrocetinic acid
    • 8,8-Diapocarotenedioic acid
    • transcrocetina
    • transcrocetine
    • 8,8'-Diapocarotene-8,8'-dioic acid
    • LEAF-4L7520
    • CI 75100
    • 8,8'-diapo-8,8'-carotenedioic acid
    • 20TC155L9C
    • NSC-407300
    • CI-75100
    • CHEBI:3918
    • DTXSID201015585
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid
    • transcrocetinum
    • Transcrocetin sodium
    • RefChem:128503
    • DTXCID201473836
    • 248-708-0
    • Transcrocetinate
    • Transcrocetin [INN]
    • 8,8'-Diapo-psi,psi-carotenedioic acid
    • Transcrocetin [USAN]
    • MFCD00017359
    • CHEMBL464792
    • LEAF-4L6715
    • 27876-94-4 (free acid)
    • Transcrocetin (USAN)
    • .alpha.-Crocetin
    • CCRIS 7484
    • EINECS 248-708-0
    • NSC 407300
    • Transcrocetin?
    • NSC407300
    • Crocetin (Standard)
    • trans-Crocetin-98%
    • CROCETIN [MI]
    • trans-Crocetin - 70%
    • trans-Crocetin - 98%
    • 8,8'-Diapo-.psi.,.psi.-carotenedioic acid
    • Croceic Acid; Transcrocetin
    • Transcrocetin [USAN:INN]
    • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)-
    • SCHEMBL20977
    • UNII-20TC155L9C
    • TRANSCROCETIN [WHO-DD]
    • 8,8''-diapocarotenedioic acid
    • HY-N2072R
    • MSK2458
    • (2Z,4E,6Z,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
    • HY-N2072
    • WHO 9931
    • BDBM50269617
    • MFCD00064590
    • AKOS022186332
    • DB05974
    • EBC-618385
    • FC63172
    • LMPR0104010020
    • 8,8''-diapo-psi,psi-carotenedioic acid
    • 8,8''-diapo-8,8''-carotenedioic acid
    • AC-35087
    • AS-59348
    • FC158063
    • LS-14790
    • CS-0018577
    • C08588
    • D11912
    • LEAF-4L6715 COMPONENT TRANSCROCETINATE
    • Q2714546
    • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-
    • Crocetintrans-Crocetin; 8,8'-Diapocarotenedioic acid; Transcrocetinate
    • (ALL-E)-2,6,11,15-TETRAMETHYLHEXADECA-2,4,6,8,10,12,14-HEPTAENEDIOIC ACID
    • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid8,8''-diapocarotene-8,8''-dioic acid
    • 2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOIC ACID, 2,6,11,15-TETRAMETHYL-, (2E,4E,6E,8E,10E,12E,14E)-
    • 504-39-2
    • 27876-94-4

  • Applications

    Crocetin (CAS 27876-94-4) is a carotenoid pigment used as a natural colorant in food and cosmetics, providing a yellow-orange hue in color-sensitive formulations. It is also employed as a colorant additive in polymers and packaging materials, and in inks and coatings. In agriculture and animal production, crocetin may be used as a feed colorant to impart yellow-orange coloration to products such as eggs and poultry meat. In research and development, crocetin is studied as an antioxidant ingredient in nutraceuticals and as a precursor for carotenoid derivatives; it can also serve as a reference standard for analytical carotenoid methods. These applications may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.95
    methanol 6.08
    isopropanol 3.93
    water 0.01
    ethyl acetate 5.65
    n-propanol 6.75
    acetone 6.11
    n-butanol 5.78
    acetonitrile 1.55
    DMF 41.71
    toluene 3.48
    isobutanol 3.45
    1,4-dioxane 15.85
    methyl acetate 7.65
    THF 66.27
    2-butanone 16.28
    n-pentanol 7.49
    sec-butanol 10.02
    n-hexane 1.08
    ethylene glycol 0.39
    NMP 56.67
    cyclohexane 0.38
    DMSO 32.83
    n-butyl acetate 5.13
    n-octanol 2.67
    chloroform 28.08
    n-propyl acetate 4.97
    acetic acid 4.14
    dichloromethane 19.91
    cyclohexanone 13.44
    propylene glycol 1.9
    isopropyl acetate 4.89
    DMAc 137.25
    2-ethoxyethanol 20.43
    isopentanol 4.97
    n-heptane 0.34
    ethyl formate 2.62
    1,2-dichloroethane 11.96
    n-hexanol 5.45
    2-methoxyethanol 17.29
    isobutyl acetate 2.55
    tetrachloromethane 2.2
    n-pentyl acetate 5.08
    transcutol 50.14
    n-heptanol 3.88
    ethylbenzene 3.72
    MIBK 5.91
    2-propoxyethanol 17.86
    tert-butanol 7.44
    MTBE 16.2
    2-butoxyethanol 12.75
    propionic acid 4.16
    o-xylene 4.08
    formic acid 2.06
    diethyl ether 10.57
    m-xylene 2.47
    p-xylene 3.61
    chlorobenzene 3.19
    dimethyl carbonate 4.45
    n-octane 0.18
    formamide 5.31
    cyclopentanone 22.57
    2-pentanone 8.26
    anisole 11.87
    cyclopentyl methyl ether 15.18
    gamma-butyrolactone 19.93
    1-methoxy-2-propanol 18.38
    pyridine 13.92
    3-pentanone 9.96
    furfural 14.39
    n-dodecane 0.1
    diethylene glycol 6.03
    diisopropyl ether 2.44
    tert-amyl alcohol 16.6
    acetylacetone 7.53
    n-hexadecane 0.12
    acetophenone 9.86
    methyl propionate 9.05
    isopentyl acetate 6.05
    trichloroethylene 25.56
    n-nonanol 3.06
    cyclohexanol 4.4
    benzyl alcohol 6.59
    2-ethylhexanol 3.66
    isooctanol 3.25
    dipropyl ether 5.79
    1,2-dichlorobenzene 4.6
    ethyl lactate 4.36
    propylene carbonate 6.96
    n-methylformamide 7.76
    2-pentanol 5.1
    n-pentane 0.46
    1-propoxy-2-propanol 13.35
    1-methoxy-2-propyl acetate 11.6
    2-(2-methoxypropoxy) propanol 16.88
    mesitylene 1.7
    ε-caprolactone 14.13
    p-cymene 1.86
    epichlorohydrin 34.41
    1,1,1-trichloroethane 6.92
    2-aminoethanol 2.31
    morpholine-4-carbaldehyde 36.42
    sulfolane 34.97
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 29.31
    n-hexyl acetate 6.53
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 18.65
    sec-butyl acetate 4.58
    tert-butyl acetate 9.12
    decalin 0.68
    glycerin 3.14
    diglyme 41.29
    acrylic acid 3.17
    isopropyl myristate 2.44
    n-butyric acid 5.33
    acetyl acetate 2.48
    di(2-ethylhexyl) phthalate 3.41
    ethyl propionate 6.01
    nitromethane 9.76
    1,2-diethoxyethane 12.4
    benzonitrile 2.54
    trioctyl phosphate 1.96
    1-bromopropane 8.18
    gamma-valerolactone 32.42
    n-decanol 1.93
    triethyl phosphate 5.11
    4-methyl-2-pentanol 3.26
    propionitrile 2.7
    vinylene carbonate 4.85
    1,1,2-trichlorotrifluoroethane 20.28
    DMS 5.66
    cumene 2.77
    2-octanol 2.48
    2-hexanone 8.74
    octyl acetate 3.1
    limonene 2.79
    1,2-dimethoxyethane 38.7
    ethyl orthosilicate 6.13
    tributyl phosphate 2.51
    diacetone alcohol 14.13
    N,N-dimethylaniline 12.67
    acrylonitrile 2.85
    aniline 5.08
    1,3-propanediol 3.72
    bromobenzene 3.12
    dibromomethane 12.09
    1,1,2,2-tetrachloroethane 29.69
    2-methyl-cyclohexyl acetate 6.95
    tetrabutyl urea 4.71
    diisobutyl methanol 2.56
    2-phenylethanol 6.01
    styrene 3.55
    dioctyl adipate 4.79
    dimethyl sulfate 11.7
    ethyl butyrate 5.35
    methyl lactate 5.81
    butyl lactate 6.0
    diethyl carbonate 3.25
    propanediol butyl ether 8.91
    triethyl orthoformate 6.98
    p-tert-butyltoluene 1.95
    methyl 4-tert-butylbenzoate 11.81
    morpholine 31.87
    tert-butylamine 4.36
    n-dodecanol 1.23
    dimethoxymethane 24.45
    ethylene carbonate 3.28
    cyrene 17.31
    2-ethoxyethyl acetate 9.79
    2-ethylhexyl acetate 5.01
    1,2,4-trichlorobenzene 6.61
    4-methylpyridine 11.34
    dibutyl ether 4.03
    2,6-dimethyl-4-heptanol 2.56
    DEF 20.72
    dimethyl isosorbide 32.24
    tetrachloroethylene 14.25
    eugenol 11.97
    triacetin 7.76
    span 80 9.98
    1,4-butanediol 1.99
    1,1-dichloroethane 7.43
    2-methyl-1-pentanol 8.83
    methyl formate 3.75
    2-methyl-1-butanol 6.87
    n-decane 0.23
    butyronitrile 2.75
    3,7-dimethyl-1-octanol 3.1
    1-chlorooctane 1.48
    1-chlorotetradecane 0.43
    n-nonane 0.2
    undecane 0.15
    tert-butylcyclohexane 0.82
    cyclooctane 0.17
    cyclopentanol 5.14
    tetrahydropyran 15.87
    tert-amyl methyl ether 19.88
    2,5,8-trioxanonane 27.45
    1-hexene 4.42
    2-isopropoxyethanol 13.55
    2,2,2-trifluoroethanol 1.81
    methyl butyrate 7.55

    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