Tetrahydrocurcumin diacetate

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  • Identifiers

    CAS number
    52199-86-7

    Molecular formula
    C25H28O8

    SMILES
    CC(=O)OC1=C(C=C(C=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)OC(=O)C)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 40.5%
    Vanilla 39.64%
    Floral 38.77%
    Sweet 36.34%
    Powdery 35.26%
    Woody 33.88%
    Balsamic 32.28%
    Dry 32.07%
    Spicy 31.13%
    Odorless 30.67%

     

    Flavor
    Sweet 42.49%
    Fruity 37.88%
    Woody 31.24%
    Odorless 28.68%
    Mild 27.96%
    Powdery 27.77%
    Floral 26.27%
    Creamy 24.43%
    Bitter 22.38%
    Heliotropin 20.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.75 (neutral)

    Molecular weight
    456.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 225.09 ˚C est.

  • Synonyms

    • Tetrahydrocurcumin diacetate
    • SDJ3QWL8HN
    • UNII-SDJ3QWL8HN
    • 52199-86-7
    • Tetrahydrocurcumin diacetate [INCI]
    • 3,5-Heptanedione, 1,7-bis(4-(acetyloxy)-3-methoxyphenyl)-
    • DTXSID80200228
    • RefChem:188658
    • DTXCID80122719
    • SCHEMBL18280764
    • SCHEMBL29670774
    • Q27289152
    • (3,5-Dioxoheptane-1,7-diyl)bis(2-methoxy-4,1-phenylene) diacetate
    • 52199-86-7

  • Applications

    Chemical name: Tetrahydrocurcumin diacetate; CAS number: 52199-86-7 is commonly evaluated as an antioxidant and stabilizer in cosmetic and personal care formulations, and is also evaluated as a starting material or intermediate in pharmaceutical synthesis and related organic derivatives; in the polymers/plastics sector it can serve as an antioxidant stabilizer for resins and coating systems, and in broader industrial applications it may act as a stabilizing additive for paints, inks and composite materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.75
    methanol 5.18
    isopropanol 4.49
    water 0.01
    ethyl acetate 12.76
    n-propanol 5.39
    acetone 64.18
    n-butanol 3.32
    acetonitrile 19.92
    DMF 73.62
    toluene 3.67
    isobutanol 3.62
    1,4-dioxane 41.88
    methyl acetate 26.97
    THF 252.96
    2-butanone 40.1
    n-pentanol 4.01
    sec-butanol 5.04
    n-hexane 0.34
    ethylene glycol 1.26
    NMP 88.98
    cyclohexane 0.46
    DMSO 390.83
    n-butyl acetate 7.51
    n-octanol 2.53
    chloroform 69.3
    n-propyl acetate 10.78
    acetic acid 20.3
    dichloromethane 80.46
    cyclohexanone 49.34
    propylene glycol 2.04
    isopropyl acetate 6.13
    DMAc 174.65
    2-ethoxyethanol 16.17
    isopentanol 2.75
    n-heptane 0.17
    ethyl formate 13.18
    1,2-dichloroethane 44.7
    n-hexanol 1.94
    2-methoxyethanol 18.07
    isobutyl acetate 5.23
    tetrachloromethane 3.81
    n-pentyl acetate 5.73
    transcutol 19.57
    n-heptanol 1.85
    ethylbenzene 2.88
    MIBK 6.19
    2-propoxyethanol 12.71
    tert-butanol 5.98
    MTBE 5.99
    2-butoxyethanol 8.18
    propionic acid 10.52
    o-xylene 2.38
    formic acid 6.45
    diethyl ether 7.33
    m-xylene 1.18
    p-xylene 4.79
    chlorobenzene 9.18
    dimethyl carbonate 11.03
    n-octane 0.16
    formamide 15.38
    cyclopentanone 111.62
    2-pentanone 15.67
    anisole 10.13
    cyclopentyl methyl ether 13.0
    gamma-butyrolactone 100.39
    1-methoxy-2-propanol 11.0
    pyridine 38.2
    3-pentanone 17.02
    furfural 44.84
    n-dodecane 0.21
    diethylene glycol 8.19
    diisopropyl ether 0.98
    tert-amyl alcohol 5.46
    acetylacetone 27.82
    n-hexadecane 0.24
    acetophenone 14.07
    methyl propionate 15.26
    isopentyl acetate 6.46
    trichloroethylene 71.88
    n-nonanol 2.86
    cyclohexanol 5.05
    benzyl alcohol 8.79
    2-ethylhexanol 1.72
    isooctanol 1.64
    dipropyl ether 4.17
    1,2-dichlorobenzene 8.65
    ethyl lactate 6.32
    propylene carbonate 24.52
    n-methylformamide 21.7
    2-pentanol 1.77
    n-pentane 0.15
    1-propoxy-2-propanol 7.8
    1-methoxy-2-propyl acetate 9.54
    2-(2-methoxypropoxy) propanol 12.97
    mesitylene 0.64
    ε-caprolactone 30.85
    p-cymene 1.15
    epichlorohydrin 95.39
    1,1,1-trichloroethane 22.72
    2-aminoethanol 2.86
    morpholine-4-carbaldehyde 50.99
    sulfolane 144.21
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 45.51
    n-hexyl acetate 7.34
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 12.33
    sec-butyl acetate 5.56
    tert-butyl acetate 6.15
    decalin 0.36
    glycerin 3.95
    diglyme 29.79
    acrylic acid 11.16
    isopropyl myristate 3.37
    n-butyric acid 9.15
    acetyl acetate 10.57
    di(2-ethylhexyl) phthalate 5.01
    ethyl propionate 10.04
    nitromethane 74.27
    1,2-diethoxyethane 11.33
    benzonitrile 10.88
    trioctyl phosphate 3.08
    1-bromopropane 12.74
    gamma-valerolactone 86.41
    n-decanol 2.13
    triethyl phosphate 6.5
    4-methyl-2-pentanol 1.02
    propionitrile 12.99
    vinylene carbonate 20.01
    1,1,2-trichlorotrifluoroethane 42.04
    DMS 9.74
    cumene 1.66
    2-octanol 1.43
    2-hexanone 14.73
    octyl acetate 4.72
    limonene 1.62
    1,2-dimethoxyethane 45.72
    ethyl orthosilicate 5.55
    tributyl phosphate 4.51
    diacetone alcohol 8.44
    N,N-dimethylaniline 6.71
    acrylonitrile 17.98
    aniline 6.77
    1,3-propanediol 4.52
    bromobenzene 8.31
    dibromomethane 39.08
    1,1,2,2-tetrachloroethane 59.37
    2-methyl-cyclohexyl acetate 7.61
    tetrabutyl urea 8.73
    diisobutyl methanol 0.98
    2-phenylethanol 5.24
    styrene 3.89
    dioctyl adipate 7.92
    dimethyl sulfate 29.98
    ethyl butyrate 8.08
    methyl lactate 7.95
    butyl lactate 5.1
    diethyl carbonate 6.36
    propanediol butyl ether 5.62
    triethyl orthoformate 7.07
    p-tert-butyltoluene 0.89
    methyl 4-tert-butylbenzoate 10.35
    morpholine 45.18
    tert-butylamine 2.12
    n-dodecanol 1.62
    dimethoxymethane 31.93
    ethylene carbonate 17.63
    cyrene 19.76
    2-ethoxyethyl acetate 10.53
    2-ethylhexyl acetate 5.31
    1,2,4-trichlorobenzene 12.27
    4-methylpyridine 22.63
    dibutyl ether 5.24
    2,6-dimethyl-4-heptanol 0.98
    DEF 22.16
    dimethyl isosorbide 23.43
    tetrachloroethylene 27.87
    eugenol 9.64
    triacetin 11.19
    span 80 7.18
    1,4-butanediol 3.0
    1,1-dichloroethane 26.62
    2-methyl-1-pentanol 3.73
    methyl formate 22.14
    2-methyl-1-butanol 3.25
    n-decane 0.36
    butyronitrile 8.97
    3,7-dimethyl-1-octanol 2.13
    1-chlorooctane 2.08
    1-chlorotetradecane 0.89
    n-nonane 0.29
    undecane 0.26
    tert-butylcyclohexane 0.23
    cyclooctane 0.1
    cyclopentanol 11.1
    tetrahydropyran 31.07
    tert-amyl methyl ether 5.18
    2,5,8-trioxanonane 22.73
    1-hexene 2.0
    2-isopropoxyethanol 10.13
    2,2,2-trifluoroethanol 10.33
    methyl butyrate 14.99

    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