Cyclocurcumin

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  • Identifiers

    CAS number
    153127-42-5

    Molecular formula
    C21H20O6

    SMILES
    COC1=C(C=CC(=C1)/C=C/C2=CC(=O)CC(O2)C3=CC(=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 64.64%
    Vanilla 64.46%
    Sweet 59.29%
    Balsamic 40.77%
    Creamy 38.74%
    Phenolic 32.71%
    Powdery 32.58%
    Clove 30.43%
    Warm 29.75%
    Smoky 28.35%

     

    Flavor
    Bitter 75.42%
    Lovage 20.43%
    Parsley 20.2%
    Ethyl benzoate 19.17%
    Leaves 18.89%
    Sweet-like 18.82%
    Bland 18.57%
    Fenugreek 18.55%
    Curry 18.54%
    Cedarleaf 18.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.8 (weak base)

    Molecular weight
    368.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    804°C

    Flash point

    • 216.93 ˚C est.

  • Synonyms

    • Cyclocurcumin
    • 153127-42-5
    • DTXSID501317744
    • 2-(4-hydroxy-3-methoxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydropyran-4-one
    • 2-(4-hydroxy-3-methoxyphenyl)-6-((E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl)-2,3-dihydropyran-4-one
    • RefChem:129433
    • DTXCID301747547
    • CYCLOCURCUMIN(P)
    • CHEMBL4098368
    • orb1682865
    • SCHEMBL6727064
    • CHEBI:175723
    • HY-N8251
    • BDBM50501397
    • AKOS040761556
    • EBC-618560
    • 2-(4-hydroxy-3-methoxyphenyl)-6-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3,4-dihydro-2H-pyran-4-one
    • 4H-Pyran-4-one,2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-6-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-
    • DA-72477
    • LS-14853
    • CS-0141880
    • E80620
    • 2-(4-Hydroxy-3-methoxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-4H-pyran-4-one
    • 153127-42-5

  • Applications

    Cyclocurcumin, CAS 153127-42-5, is a curcuminoid derivative used primarily as an intermediate in the synthesis of curcuminoid families in organic chemistry; it serves as a dye and photoactive component in polymer matrices and coatings; it is studied as a cosmetic colorant or color-delivery ingredient in personal care formulations; in materials research it is investigated as a fluorescent or photoactive probe for sensors and optoelectronic systems; it can function as a UV absorber or stabilizer in plastics and elastomer formulations; and it is considered a building block for industrial manufacturing of related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.65
    methanol 6.58
    isopropanol 16.35
    water 0.01
    ethyl acetate 17.44
    n-propanol 17.76
    acetone 66.34
    n-butanol 8.04
    acetonitrile 14.99
    DMF 39.62
    toluene 4.12
    isobutanol 7.58
    1,4-dioxane 60.99
    methyl acetate 24.61
    THF 579.18
    2-butanone 48.97
    n-pentanol 8.81
    sec-butanol 13.48
    n-hexane 0.39
    ethylene glycol 5.3
    NMP 15.38
    cyclohexane 0.6
    DMSO 563.88
    n-butyl acetate 4.25
    n-octanol 3.76
    chloroform 24.4
    n-propyl acetate 7.1
    acetic acid 30.18
    dichloromethane 26.38
    cyclohexanone 35.57
    propylene glycol 9.9
    isopropyl acetate 9.48
    DMAc 89.01
    2-ethoxyethanol 36.1
    isopentanol 5.45
    n-heptane 0.68
    ethyl formate 8.0
    1,2-dichloroethane 20.26
    n-hexanol 4.22
    2-methoxyethanol 47.67
    isobutyl acetate 4.28
    tetrachloromethane 1.44
    n-pentyl acetate 5.7
    transcutol 48.7
    n-heptanol 3.6
    ethylbenzene 2.36
    MIBK 8.9
    2-propoxyethanol 25.05
    tert-butanol 18.46
    MTBE 10.54
    2-butoxyethanol 12.66
    propionic acid 15.92
    o-xylene 2.42
    formic acid 9.49
    diethyl ether 16.15
    m-xylene 1.78
    p-xylene 2.81
    chlorobenzene 3.76
    dimethyl carbonate 15.0
    n-octane 0.48
    formamide 22.73
    cyclopentanone 83.16
    2-pentanone 21.03
    anisole 9.92
    cyclopentyl methyl ether 25.12
    gamma-butyrolactone 66.87
    1-methoxy-2-propanol 35.33
    pyridine 29.03
    3-pentanone 17.98
    furfural 25.21
    n-dodecane 0.45
    diethylene glycol 20.82
    diisopropyl ether 2.69
    tert-amyl alcohol 12.17
    acetylacetone 34.62
    n-hexadecane 0.53
    acetophenone 9.56
    methyl propionate 21.1
    isopentyl acetate 5.07
    trichloroethylene 33.32
    n-nonanol 4.73
    cyclohexanol 9.38
    benzyl alcohol 9.46
    2-ethylhexanol 3.14
    isooctanol 3.51
    dipropyl ether 9.03
    1,2-dichlorobenzene 3.91
    ethyl lactate 7.38
    propylene carbonate 10.76
    n-methylformamide 17.27
    2-pentanol 6.21
    n-pentane 0.27
    1-propoxy-2-propanol 16.74
    1-methoxy-2-propyl acetate 12.56
    2-(2-methoxypropoxy) propanol 17.56
    mesitylene 1.16
    ε-caprolactone 20.07
    p-cymene 1.72
    epichlorohydrin 103.98
    1,1,1-trichloroethane 8.69
    2-aminoethanol 9.4
    morpholine-4-carbaldehyde 34.35
    sulfolane 82.81
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 53.32
    n-hexyl acetate 7.09
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 20.92
    sec-butyl acetate 4.85
    tert-butyl acetate 10.16
    decalin 0.43
    glycerin 16.62
    diglyme 41.84
    acrylic acid 14.43
    isopropyl myristate 4.5
    n-butyric acid 12.22
    acetyl acetate 12.48
    di(2-ethylhexyl) phthalate 4.56
    ethyl propionate 8.4
    nitromethane 77.26
    1,2-diethoxyethane 17.91
    benzonitrile 6.95
    trioctyl phosphate 3.3
    1-bromopropane 7.66
    gamma-valerolactone 64.86
    n-decanol 3.85
    triethyl phosphate 5.63
    4-methyl-2-pentanol 3.09
    propionitrile 14.14
    vinylene carbonate 10.24
    1,1,2-trichlorotrifluoroethane 36.81
    DMS 9.54
    cumene 1.55
    2-octanol 2.7
    2-hexanone 11.57
    octyl acetate 5.35
    limonene 2.52
    1,2-dimethoxyethane 52.15
    ethyl orthosilicate 5.56
    tributyl phosphate 4.03
    diacetone alcohol 17.98
    N,N-dimethylaniline 6.33
    acrylonitrile 17.73
    aniline 8.04
    1,3-propanediol 15.83
    bromobenzene 3.33
    dibromomethane 13.55
    1,1,2,2-tetrachloroethane 26.99
    2-methyl-cyclohexyl acetate 6.52
    tetrabutyl urea 6.85
    diisobutyl methanol 2.88
    2-phenylethanol 6.94
    styrene 2.78
    dioctyl adipate 8.33
    dimethyl sulfate 26.8
    ethyl butyrate 6.03
    methyl lactate 14.12
    butyl lactate 5.94
    diethyl carbonate 5.28
    propanediol butyl ether 9.49
    triethyl orthoformate 7.5
    p-tert-butyltoluene 1.61
    methyl 4-tert-butylbenzoate 10.53
    morpholine 72.35
    tert-butylamine 4.93
    n-dodecanol 3.11
    dimethoxymethane 60.68
    ethylene carbonate 9.48
    cyrene 17.53
    2-ethoxyethyl acetate 12.02
    2-ethylhexyl acetate 3.69
    1,2,4-trichlorobenzene 5.9
    4-methylpyridine 12.14
    dibutyl ether 7.46
    2,6-dimethyl-4-heptanol 2.88
    DEF 16.4
    dimethyl isosorbide 26.49
    tetrachloroethylene 13.55
    eugenol 10.68
    triacetin 12.66
    span 80 10.34
    1,4-butanediol 7.32
    1,1-dichloroethane 11.27
    2-methyl-1-pentanol 5.94
    methyl formate 16.59
    2-methyl-1-butanol 5.82
    n-decane 0.85
    butyronitrile 8.07
    3,7-dimethyl-1-octanol 3.81
    1-chlorooctane 2.69
    1-chlorotetradecane 1.29
    n-nonane 0.7
    undecane 0.6
    tert-butylcyclohexane 0.3
    cyclooctane 0.26
    cyclopentanol 20.31
    tetrahydropyran 56.84
    tert-amyl methyl ether 8.21
    2,5,8-trioxanonane 34.11
    1-hexene 2.06
    2-isopropoxyethanol 21.06
    2,2,2-trifluoroethanol 10.24
    methyl butyrate 8.95

    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