2,4,6-Trihydroxybenzoylmethyl benzoate

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  • Identifiers

    CAS number
    65982-77-6

    Molecular formula
    C15H12O6

    SMILES
    C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2O)O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 64.19%
    Phenolic 34.84%
    Balsamic 32.6%
    Bitter 21.9%
    Burnt 21.1%
    Spicy 19.33%
    Aromatic 19.17%
    Sweet 19.07%
    Vanilla 19.06%
    Milky 18.77%

     

    Flavor
    Bitter 73.1%
    Odorless 43.65%
    Bland 28.59%
    Mild 25.95%
    Faint 22.39%
    Very mild 22.3%
    Sweet-like 21.81%
    Ethyl benzoate 21.23%
    Orange flower 20.98%
    Lovage 20.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.2 (weak base)

    Molecular weight
    288.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 231.24 ˚C est.

  • Synonyms

    • 2,4,6-TRIHYDROXYBENZOYLMETHYL BENZOATE
    • RefChem:442927
    • 662-054-7
    • 65982-77-6
    • omega-benzoyloxy phloracetophenone
    • 2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl benzoate
    • [2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl] Benzoate
    • Ethanone, 2-(benzoyloxy)-1-(2,4,6-trihydroxyphenyl)-
    • |O-Benzoyl oxyphloracetophenone
    • orb1681967
    • DTXSID50408759
    • omega-Benzoyl oxyphloracetophenone
    • RJDUTONJXJJEBT-UHFFFAOYSA-N
    • AKOS024307572
    • FB66709
    • DS-017284
    • BENZOYLOXYPHLORACETOPHENONE,OMEGA-(RG)
    • CS-0877751
    • 2-oxo-2-(2,4,6-trihydroxyphenyl)ethylbenzoate
    • 2-(benzoyloxy)-1-(2,4,6-trihydroxyphenyl)ethanone
    • 65982-77-6

  • Applications

    2,4,6-Trihydroxybenzoylmethyl benzoate (CAS 65982-77-6) is typically used as a UV-absorbing/stabilizing additive in polymers and plastics, helping mitigate photodegradation and color fading; it is also evaluated for use in coatings and inks as a UV stabilizer, and may serve as an intermediate in the manufacture of specialty chemicals in industrial manufacturing; in cosmetics and personal care, it is occasionally considered for inclusion in formulations as a UV absorber or antioxidant; and it can function as a processing aid in UV-curable adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.03
    methanol 148.8
    isopropanol 81.57
    water 0.01
    ethyl acetate 67.95
    n-propanol 94.74
    acetone 306.85
    n-butanol 70.49
    acetonitrile 60.17
    DMF 550.42
    toluene 2.45
    isobutanol 37.37
    1,4-dioxane 70.41
    methyl acetate 65.3
    THF 988.08
    2-butanone 171.82
    n-pentanol 41.09
    sec-butanol 66.15
    n-hexane 0.24
    ethylene glycol 36.91
    NMP 267.92
    cyclohexane 0.13
    DMSO 3452.84
    n-butyl acetate 22.77
    n-octanol 7.59
    chloroform 3.0
    n-propyl acetate 30.67
    acetic acid 63.76
    dichloromethane 3.97
    cyclohexanone 92.7
    propylene glycol 66.61
    isopropyl acetate 37.11
    DMAc 437.83
    2-ethoxyethanol 181.45
    isopentanol 43.39
    n-heptane 0.29
    ethyl formate 40.77
    1,2-dichloroethane 11.27
    n-hexanol 22.68
    2-methoxyethanol 468.59
    isobutyl acetate 8.12
    tetrachloromethane 0.38
    n-pentyl acetate 9.42
    transcutol 206.68
    n-heptanol 8.36
    ethylbenzene 1.69
    MIBK 53.16
    2-propoxyethanol 142.8
    tert-butanol 89.29
    MTBE 26.8
    2-butoxyethanol 35.87
    propionic acid 46.36
    o-xylene 2.03
    formic acid 46.43
    diethyl ether 44.59
    m-xylene 2.09
    p-xylene 1.55
    chlorobenzene 2.02
    dimethyl carbonate 47.53
    n-octane 0.12
    formamide 155.88
    cyclopentanone 294.89
    2-pentanone 150.72
    anisole 16.88
    cyclopentyl methyl ether 75.45
    gamma-butyrolactone 250.28
    1-methoxy-2-propanol 406.89
    pyridine 27.83
    3-pentanone 69.87
    furfural 88.01
    n-dodecane 0.24
    diethylene glycol 136.84
    diisopropyl ether 5.42
    tert-amyl alcohol 60.65
    acetylacetone 139.95
    n-hexadecane 0.28
    acetophenone 21.67
    methyl propionate 96.99
    isopentyl acetate 15.9
    trichloroethylene 16.67
    n-nonanol 8.2
    cyclohexanol 29.75
    benzyl alcohol 18.66
    2-ethylhexanol 9.3
    isooctanol 6.67
    dipropyl ether 19.87
    1,2-dichlorobenzene 2.35
    ethyl lactate 35.88
    propylene carbonate 47.46
    n-methylformamide 244.62
    2-pentanol 43.39
    n-pentane 0.27
    1-propoxy-2-propanol 87.72
    1-methoxy-2-propyl acetate 57.91
    2-(2-methoxypropoxy) propanol 55.22
    mesitylene 1.31
    ε-caprolactone 66.29
    p-cymene 1.77
    epichlorohydrin 239.11
    1,1,1-trichloroethane 4.03
    2-aminoethanol 90.7
    morpholine-4-carbaldehyde 166.58
    sulfolane 520.17
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 136.73
    n-hexyl acetate 15.48
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 71.44
    sec-butyl acetate 16.05
    tert-butyl acetate 42.32
    decalin 0.23
    glycerin 139.61
    diglyme 119.6
    acrylic acid 40.75
    isopropyl myristate 8.07
    n-butyric acid 55.04
    acetyl acetate 23.21
    di(2-ethylhexyl) phthalate 8.69
    ethyl propionate 38.51
    nitromethane 288.77
    1,2-diethoxyethane 35.49
    benzonitrile 10.11
    trioctyl phosphate 7.17
    1-bromopropane 6.02
    gamma-valerolactone 247.98
    n-decanol 6.4
    triethyl phosphate 13.15
    4-methyl-2-pentanol 16.62
    propionitrile 47.37
    vinylene carbonate 30.08
    1,1,2-trichlorotrifluoroethane 101.61
    DMS 20.63
    cumene 1.2
    2-octanol 5.61
    2-hexanone 50.5
    octyl acetate 10.61
    limonene 3.54
    1,2-dimethoxyethane 201.64
    ethyl orthosilicate 10.66
    tributyl phosphate 9.2
    diacetone alcohol 121.32
    N,N-dimethylaniline 11.17
    acrylonitrile 60.03
    aniline 12.57
    1,3-propanediol 137.88
    bromobenzene 1.23
    dibromomethane 2.56
    1,1,2,2-tetrachloroethane 16.68
    2-methyl-cyclohexyl acetate 14.08
    tetrabutyl urea 16.63
    diisobutyl methanol 7.44
    2-phenylethanol 17.0
    styrene 1.8
    dioctyl adipate 15.64
    dimethyl sulfate 118.53
    ethyl butyrate 23.13
    methyl lactate 105.38
    butyl lactate 18.39
    diethyl carbonate 13.92
    propanediol butyl ether 37.66
    triethyl orthoformate 16.61
    p-tert-butyltoluene 2.01
    methyl 4-tert-butylbenzoate 24.54
    morpholine 189.55
    tert-butylamine 19.03
    n-dodecanol 4.79
    dimethoxymethane 354.94
    ethylene carbonate 25.81
    cyrene 62.57
    2-ethoxyethyl acetate 21.66
    2-ethylhexyl acetate 10.02
    1,2,4-trichlorobenzene 4.18
    4-methylpyridine 26.06
    dibutyl ether 10.33
    2,6-dimethyl-4-heptanol 7.44
    DEF 119.74
    dimethyl isosorbide 95.42
    tetrachloroethylene 6.19
    eugenol 25.4
    triacetin 25.13
    span 80 32.01
    1,4-butanediol 34.13
    1,1-dichloroethane 5.88
    2-methyl-1-pentanol 24.47
    methyl formate 127.01
    2-methyl-1-butanol 39.68
    n-decane 0.35
    butyronitrile 39.52
    3,7-dimethyl-1-octanol 8.88
    1-chlorooctane 2.57
    1-chlorotetradecane 1.15
    n-nonane 0.27
    undecane 0.29
    tert-butylcyclohexane 0.22
    cyclooctane 0.09
    cyclopentanol 63.71
    tetrahydropyran 58.43
    tert-amyl methyl ether 30.39
    2,5,8-trioxanonane 95.94
    1-hexene 2.2
    2-isopropoxyethanol 70.58
    2,2,2-trifluoroethanol 20.42
    methyl butyrate 48.66

    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