Dimethylcrocetin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5892-54-6

    Molecular formula
    C22H28O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.59%
    Fruity 56.96%
    Woody 44.43%
    Green 37.72%
    Citrus 37.16%
    Tropical 36.62%
    Floral 35.78%
    Balsamic 34.77%
    Spicy 34.62%
    Oily 34.32%

     

    Flavor
    Oriental 23.91%
    Balsam 21.38%
    Mouldy 20.04%
    Ocimene 19.98%
    Nitrile 19.93%
    Heather 19.57%
    Basil 19.55%
    Broom 19.49%
    Low 19.47%
    Diterpene 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.39 (neutral)

    Molecular weight
    356.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 212.34 ˚C est.

  • Synonyms

    • Dimethylcrocetin
    • 5892-54-6
    • Crocetin dimethyl ester
    • gamma-Crocetin
    • dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • trans-Crocetin, dimethyl ester
    • 604TT10Y72
    • DTXSID801316719
    • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, 1,16-dimethyl ester, (2E,4E,6E,8E,10E,12E,14E)-
    • RefChem:920330
    • DTXCID001746552
    • Dimethyl-8,8'-diapocarotene-8,8'-dioate
    • Crocetine dimethyl ester
    • Crocetin dimethyl ester [MI]
    • (2E,4E,6E,8E,10E,12E,14E)-Dimethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    • UNII-604TT10Y72
    • .GAMMA.-CROCETIN
    • orb1709982
    • SCHEMBL12192819
    • CHEBI:172582
    • HY-N6899
    • AKOS040732870
    • DA-72399
    • CS-0100511
    • G14356
    • Q27263160
    • 5892-54-6

  • Applications

    Dimethylcrocetin (CAS 5892-54-6) is primarily used as a chemical building block in the synthesis of carotenoid-derived pigments, functioning as an intermediate for crocetin-related dyes and pigment esters. It may serve as a colorant precursor in cosmetics and personal care products, as well as in coatings, inks, and plastics where a carotenoid-derived pigment is desired. The compound is also evaluated as a specialty pigment precursor in polymer and plastics formulations to impart color or UV-absorption characteristics. In pharmaceutical and nutraceutical research, it is studied as a carotenoid-derived scaffold for synthetic derivatives and pigment-related investigations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.28
    methanol 5.63
    isopropanol 5.72
    water 0.01
    ethyl acetate 46.22
    n-propanol 8.77
    acetone 31.38
    n-butanol 9.32
    acetonitrile 14.95
    DMF 61.62
    toluene 33.12
    isobutanol 6.59
    1,4-dioxane 65.64
    methyl acetate 41.86
    THF 183.94
    2-butanone 53.81
    n-pentanol 13.9
    sec-butanol 14.66
    n-hexane 7.19
    ethylene glycol 0.44
    NMP 119.82
    cyclohexane 5.65
    DMSO 44.96
    n-butyl acetate 25.91
    n-octanol 4.91
    chloroform 320.97
    n-propyl acetate 33.74
    acetic acid 16.52
    dichloromethane 321.72
    cyclohexanone 71.95
    propylene glycol 1.58
    isopropyl acetate 30.19
    DMAc 162.2
    2-ethoxyethanol 33.34
    isopentanol 10.59
    n-heptane 2.6
    ethyl formate 15.81
    1,2-dichloroethane 139.46
    n-hexanol 9.62
    2-methoxyethanol 21.94
    isobutyl acetate 16.83
    tetrachloromethane 27.51
    n-pentyl acetate 21.77
    transcutol 84.53
    n-heptanol 7.19
    ethylbenzene 27.78
    MIBK 26.9
    2-propoxyethanol 28.79
    tert-butanol 12.45
    MTBE 47.73
    2-butoxyethanol 21.22
    propionic acid 12.66
    o-xylene 25.64
    formic acid 4.29
    diethyl ether 47.79
    m-xylene 18.81
    p-xylene 27.95
    chlorobenzene 49.8
    dimethyl carbonate 19.23
    n-octane 1.05
    formamide 11.32
    cyclopentanone 95.5
    2-pentanone 40.37
    anisole 65.08
    cyclopentyl methyl ether 65.59
    gamma-butyrolactone 96.71
    1-methoxy-2-propanol 22.58
    pyridine 77.11
    3-pentanone 47.88
    furfural 81.27
    n-dodecane 0.52
    diethylene glycol 8.87
    diisopropyl ether 14.37
    tert-amyl alcohol 26.78
    acetylacetone 53.93
    n-hexadecane 0.62
    acetophenone 56.24
    methyl propionate 39.96
    isopentyl acetate 26.42
    trichloroethylene 321.39
    n-nonanol 5.9
    cyclohexanol 13.57
    benzyl alcohol 23.55
    2-ethylhexanol 9.61
    isooctanol 7.07
    dipropyl ether 27.17
    1,2-dichlorobenzene 59.21
    ethyl lactate 12.71
    propylene carbonate 39.18
    n-methylformamide 15.96
    2-pentanol 10.31
    n-pentane 3.36
    1-propoxy-2-propanol 21.66
    1-methoxy-2-propyl acetate 40.45
    2-(2-methoxypropoxy) propanol 28.85
    mesitylene 11.21
    ε-caprolactone 67.83
    p-cymene 9.53
    epichlorohydrin 179.9
    1,1,1-trichloroethane 112.68
    2-aminoethanol 2.3
    morpholine-4-carbaldehyde 95.98
    sulfolane 118.43
    2,2,4-trimethylpentane 4.0
    2-methyltetrahydrofuran 110.46
    n-hexyl acetate 23.31
    isooctane 1.49
    2-(2-butoxyethoxy)ethanol 30.01
    sec-butyl acetate 27.93
    tert-butyl acetate 44.92
    decalin 5.6
    glycerin 2.91
    diglyme 95.59
    acrylic acid 11.57
    isopropyl myristate 8.73
    n-butyric acid 18.28
    acetyl acetate 29.84
    di(2-ethylhexyl) phthalate 10.55
    ethyl propionate 39.27
    nitromethane 57.78
    1,2-diethoxyethane 44.75
    benzonitrile 22.49
    trioctyl phosphate 5.32
    1-bromopropane 76.74
    gamma-valerolactone 120.48
    n-decanol 3.9
    triethyl phosphate 20.86
    4-methyl-2-pentanol 6.98
    propionitrile 16.95
    vinylene carbonate 33.68
    1,1,2-trichlorotrifluoroethane 76.87
    DMS 24.85
    cumene 16.31
    2-octanol 4.87
    2-hexanone 40.15
    octyl acetate 10.56
    limonene 14.07
    1,2-dimethoxyethane 95.89
    ethyl orthosilicate 22.91
    tributyl phosphate 7.88
    diacetone alcohol 31.35
    N,N-dimethylaniline 49.59
    acrylonitrile 19.28
    aniline 23.85
    1,3-propanediol 4.63
    bromobenzene 60.8
    dibromomethane 167.07
    1,1,2,2-tetrachloroethane 251.88
    2-methyl-cyclohexyl acetate 29.5
    tetrabutyl urea 12.47
    diisobutyl methanol 6.99
    2-phenylethanol 19.61
    styrene 31.44
    dioctyl adipate 17.89
    dimethyl sulfate 44.93
    ethyl butyrate 33.13
    methyl lactate 11.58
    butyl lactate 13.31
    diethyl carbonate 20.88
    propanediol butyl ether 10.26
    triethyl orthoformate 29.07
    p-tert-butyltoluene 9.02
    methyl 4-tert-butylbenzoate 38.1
    morpholine 78.19
    tert-butylamine 9.64
    n-dodecanol 2.7
    dimethoxymethane 50.6
    ethylene carbonate 23.38
    cyrene 44.97
    2-ethoxyethyl acetate 38.37
    2-ethylhexyl acetate 23.15
    1,2,4-trichlorobenzene 72.07
    4-methylpyridine 71.63
    dibutyl ether 14.18
    2,6-dimethyl-4-heptanol 6.99
    DEF 65.05
    dimethyl isosorbide 83.31
    tetrachloroethylene 124.73
    eugenol 31.14
    triacetin 32.66
    span 80 17.93
    1,4-butanediol 3.27
    1,1-dichloroethane 101.23
    2-methyl-1-pentanol 18.03
    methyl formate 12.62
    2-methyl-1-butanol 12.52
    n-decane 1.24
    butyronitrile 16.89
    3,7-dimethyl-1-octanol 6.74
    1-chlorooctane 6.97
    1-chlorotetradecane 1.94
    n-nonane 1.13
    undecane 0.75
    tert-butylcyclohexane 4.85
    cyclooctane 2.2
    cyclopentanol 13.92
    tetrahydropyran 68.54
    tert-amyl methyl ether 53.3
    2,5,8-trioxanonane 56.58
    1-hexene 21.62
    2-isopropoxyethanol 27.43
    2,2,2-trifluoroethanol 8.28
    methyl butyrate 45.38

    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