Tetrahydrobisdemethoxycurcumin

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  • Identifiers

    CAS number
    113482-94-3

    Molecular formula
    C19H20O4

    SMILES
    C1=CC(=CC=C1CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.7%
    Fruity 41.24%
    Floral 38.42%
    Spicy 37.03%
    Balsamic 35.02%
    Woody 31.02%
    Vanilla 30.12%
    Honey 26.82%
    Phenolic 26.62%
    Powdery 26.45%

     

    Flavor
    Sweet 38.04%
    Mild 34.69%
    Odorless 31.94%
    Fruity 29.69%
    Floral 24.51%
    Bitter 24.48%
    Balsam 23.76%
    Phenolic 23.14%
    Powdery 22.84%
    Herbal 22.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.16 (weak base)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    561°C

    Flash point

    • 229.12 ˚C est.

  • Synonyms

    • Tetrahydrobisdemethoxycurcumin
    • LETESTUIANIN C
    • Tetrahydrobisdemethoxydiferuloylmethane
    • 113482-94-3
    • Bisdemethoxytetrahydrocurcumin
    • 1,7-bis(4-hydroxyphenyl)heptane-3,5-dione
    • 973IBV8W7I
    • 1,7-Bis(4-hydroxyphenyl)-heptane-3,5-dione
    • 1,7-bis(4-hydroxyphenyl)heptan-3,5-dione
    • DTXSID60150419
    • RefChem:152949
    • DTXCID2072910
    • 920-193-3
    • 3,5-Heptanedione, 1,7-bis(4-hydroxyphenyl)-
    • UNII-973IBV8W7I
    • CHEMBL443146
    • SCHEMBL4410123
    • BDBM50433754
    • NS00023687
    • 1,7-bis-(4-hydroxyphenyl)-heptane-3,5-dione
    • Q27271959
    • 113482-94-3

  • Applications

    Tetrahydrobisdemethoxycurcumin (CAS 113482-94-3) is primarily used as an intermediate in the synthesis of curcuminoid compounds and is also evaluated as an antioxidant additive in cosmetics and personal-care formulations to aid formulation stability; it may function as a stabilizer and light-absorbing/radical-scavenging component in polymers, plastics, and coatings, contributing to product longevity and weathering resistance. In pharmaceutical and agrochemical research, it is considered a potential precursor or tool compound for curcuminoid-based structures and related synthesis, with evaluation for derivative development. Applications should be pursued within the constraints of local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.95
    methanol 30.34
    isopropanol 13.4
    water 0.06
    ethyl acetate 14.34
    n-propanol 12.01
    acetone 101.9
    n-butanol 6.6
    acetonitrile 20.59
    DMF 103.7
    toluene 1.32
    isobutanol 5.69
    1,4-dioxane 74.2
    methyl acetate 29.48
    THF 427.56
    2-butanone 45.76
    n-pentanol 8.4
    sec-butanol 8.82
    n-hexane 0.08
    ethylene glycol 6.69
    NMP 21.2
    cyclohexane 0.06
    DMSO 766.48
    n-butyl acetate 8.32
    n-octanol 4.49
    chloroform 11.72
    n-propyl acetate 11.97
    acetic acid 32.15
    dichloromethane 7.49
    cyclohexanone 31.62
    propylene glycol 22.9
    isopropyl acetate 10.66
    DMAc 202.36
    2-ethoxyethanol 61.82
    isopentanol 6.32
    n-heptane 0.15
    ethyl formate 14.16
    1,2-dichloroethane 9.06
    n-hexanol 4.69
    2-methoxyethanol 93.21
    isobutyl acetate 7.38
    tetrachloromethane 0.87
    n-pentyl acetate 5.63
    transcutol 154.56
    n-heptanol 4.04
    ethylbenzene 1.65
    MIBK 12.47
    2-propoxyethanol 46.92
    tert-butanol 24.36
    MTBE 9.25
    2-butoxyethanol 21.91
    propionic acid 15.35
    o-xylene 1.25
    formic acid 14.93
    diethyl ether 4.7
    m-xylene 1.02
    p-xylene 2.41
    chlorobenzene 2.9
    dimethyl carbonate 16.13
    n-octane 0.12
    formamide 46.51
    cyclopentanone 80.62
    2-pentanone 18.77
    anisole 16.83
    cyclopentyl methyl ether 12.1
    gamma-butyrolactone 80.88
    1-methoxy-2-propanol 66.75
    pyridine 24.8
    3-pentanone 11.78
    furfural 48.68
    n-dodecane 0.23
    diethylene glycol 43.6
    diisopropyl ether 1.41
    tert-amyl alcohol 11.99
    acetylacetone 52.8
    n-hexadecane 0.27
    acetophenone 16.98
    methyl propionate 15.76
    isopentyl acetate 9.59
    trichloroethylene 21.61
    n-nonanol 5.3
    cyclohexanol 4.63
    benzyl alcohol 14.07
    2-ethylhexanol 3.21
    isooctanol 3.86
    dipropyl ether 6.58
    1,2-dichlorobenzene 3.76
    ethyl lactate 14.14
    propylene carbonate 20.81
    n-methylformamide 37.33
    2-pentanol 3.58
    n-pentane 0.03
    1-propoxy-2-propanol 30.32
    1-methoxy-2-propyl acetate 26.23
    2-(2-methoxypropoxy) propanol 33.78
    mesitylene 0.84
    ε-caprolactone 22.65
    p-cymene 1.66
    epichlorohydrin 108.23
    1,1,1-trichloroethane 6.7
    2-aminoethanol 16.73
    morpholine-4-carbaldehyde 67.94
    sulfolane 101.74
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 33.49
    n-hexyl acetate 8.59
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 44.85
    sec-butyl acetate 7.8
    tert-butyl acetate 15.88
    decalin 0.17
    glycerin 33.27
    diglyme 94.77
    acrylic acid 14.72
    isopropyl myristate 5.28
    n-butyric acid 14.09
    acetyl acetate 12.65
    di(2-ethylhexyl) phthalate 6.29
    ethyl propionate 11.31
    nitromethane 119.44
    1,2-diethoxyethane 30.36
    benzonitrile 10.01
    trioctyl phosphate 3.9
    1-bromopropane 1.83
    gamma-valerolactone 114.83
    n-decanol 4.24
    triethyl phosphate 8.48
    4-methyl-2-pentanol 3.18
    propionitrile 12.47
    vinylene carbonate 16.97
    1,1,2-trichlorotrifluoroethane 52.25
    DMS 14.13
    cumene 1.52
    2-octanol 2.69
    2-hexanone 16.78
    octyl acetate 6.21
    limonene 1.79
    1,2-dimethoxyethane 126.81
    ethyl orthosilicate 8.08
    tributyl phosphate 5.71
    diacetone alcohol 33.9
    N,N-dimethylaniline 9.33
    acrylonitrile 19.41
    aniline 5.38
    1,3-propanediol 24.36
    bromobenzene 2.08
    dibromomethane 3.29
    1,1,2,2-tetrachloroethane 23.48
    2-methyl-cyclohexyl acetate 10.16
    tetrabutyl urea 9.86
    diisobutyl methanol 3.27
    2-phenylethanol 10.73
    styrene 2.26
    dioctyl adipate 10.69
    dimethyl sulfate 33.32
    ethyl butyrate 9.76
    methyl lactate 21.86
    butyl lactate 10.67
    diethyl carbonate 8.34
    propanediol butyl ether 21.36
    triethyl orthoformate 11.14
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 17.65
    morpholine 80.55
    tert-butylamine 5.1
    n-dodecanol 3.23
    dimethoxymethane 97.78
    ethylene carbonate 13.95
    cyrene 29.61
    2-ethoxyethyl acetate 16.19
    2-ethylhexyl acetate 6.12
    1,2,4-trichlorobenzene 5.8
    4-methylpyridine 12.51
    dibutyl ether 8.18
    2,6-dimethyl-4-heptanol 3.27
    DEF 19.81
    dimethyl isosorbide 63.62
    tetrachloroethylene 8.65
    eugenol 19.78
    triacetin 20.9
    span 80 18.63
    1,4-butanediol 10.91
    1,1-dichloroethane 6.13
    2-methyl-1-pentanol 6.77
    methyl formate 36.81
    2-methyl-1-butanol 4.93
    n-decane 0.35
    butyronitrile 9.03
    3,7-dimethyl-1-octanol 5.17
    1-chlorooctane 1.96
    1-chlorotetradecane 0.99
    n-nonane 0.26
    undecane 0.28
    tert-butylcyclohexane 0.21
    cyclooctane 0.04
    cyclopentanol 9.98
    tetrahydropyran 25.84
    tert-amyl methyl ether 6.5
    2,5,8-trioxanonane 72.3
    1-hexene 0.76
    2-isopropoxyethanol 31.44
    2,2,2-trifluoroethanol 11.06
    methyl butyrate 15.92

    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