Tribenzoin

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  • Identifiers

    CAS number
    614-33-5

    Molecular formula
    C24H20O6

    SMILES
    C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Balsamic 70.86%
    Green 59.04%
    Herbal 53.7%
    Odorless 32.98%
    Oily 29.62%
    Fruity 29.58%
    Metallic 29.51%
    Floral 28.8%
    Winey 26.88%
    Clean 26.38%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    Molecular weight
    404.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    547°C

    Melting point expt.

    • 76 °C

    Flash point est.
    232.33 ˚C

    Solubility expt.

    • very slightly
    • insoluble in water; some solubility in organic solvents
    • slightly soluble at room temperature (in ethanol)

  • Synonyms

    • Glyceryl tribenzoate
    • Tribenzoin
    • 614-33-5
    • Glycerol tribenzoate
    • Glycerol, tribenzoate
    • 2,3-dibenzoyloxypropyl benzoate
    • 1,2,3-PROPANETRIOL, TRIBENZOATE
    • Uniplex 260
    • FEMA No. 3398
    • Plastic A
    • 1,2,3-Propanetriol, 1,2,3-tribenzoate
    • Mollit B
    • NSC 2230
    • EINECS 210-379-6
    • 3LZY0X529Y
    • AI3-08196
    • GLYCERYLTRIBENZOATE
    • NSC-2230
    • BENZOFLEX S 404
    • DTXSID90862290
    • propane-1,2,3-triyl tribenzoate
    • GLYCERYL TRIBENZOATE [FHFI]
    • 2,3-Bis(benzoyloxy)propyl benzoate
    • Glyceryl tribenzoate, 95%
    • UNII-3LZY0X529Y
    • TRIBENZOIN [INCI]
    • SCHEMBL28609
    • 1,3-Propanetriol, tribenzoate
    • 1,2,3-propanetriol tribenzoate
    • FEMA 3398
    • DTXCID00811077
    • NSC2230
    • CHEBI:175993
    • MFCD00020677
    • STL483049
    • 2,3-Bis(benzoyloxy)propyl benzoate #
    • AKOS024319110
    • FG44053
    • AS-17612
    • NS00007729
    • E79380
    • Q27257591
    • 210-379-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.55
    methanol 5.97
    isopropanol 4.92
    water 0.19
    ethyl acetate 42.47
    n-propanol 6.71
    acetone 62.53
    n-butanol 6.02
    acetonitrile 36.03
    DMF 81.88
    toluene 36.44
    isobutanol 4.79
    1,4-dioxane 55.32
    methyl acetate 52.36
    THF 178.47
    2-butanone 61.37
    n-pentanol 7.85
    sec-butanol 9.47
    n-hexane 2.27
    ethylene glycol 2.09
    NMP 98.27
    cyclohexane 3.84
    DMSO 128.42
    n-butyl acetate 18.86
    n-octanol 7.4
    chloroform 162.39
    n-propyl acetate 21.71
    acetic acid 24.35
    dichloromethane 222.81
    cyclohexanone 78.98
    propylene glycol 2.49
    isopropyl acetate 24.73
    DMAc 169.54
    2-ethoxyethanol 22.34
    isopentanol 5.89
    n-heptane 2.72
    ethyl formate 24.65
    1,2-dichloroethane 115.66
    n-hexanol 6.23
    2-methoxyethanol 20.78
    isobutyl acetate 9.78
    tetrachloromethane 14.63
    n-pentyl acetate 20.34
    transcutol 51.78
    n-heptanol 6.93
    ethylbenzene 17.03
    MIBK 18.74
    2-propoxyethanol 19.63
    tert-butanol 7.13
    MTBE 16.78
    2-butoxyethanol 16.94
    propionic acid 20.69
    o-xylene 20.47
    formic acid 11.8
    diethyl ether 26.67
    m-xylene 14.53
    p-xylene 18.54
    chlorobenzene 44.52
    dimethyl carbonate 42.04
    n-octane 2.06
    formamide 34.48
    cyclopentanone 135.37
    2-pentanone 37.75
    anisole 30.31
    cyclopentyl methyl ether 40.9
    gamma-butyrolactone 140.69
    1-methoxy-2-propanol 17.24
    pyridine 92.36
    3-pentanone 49.54
    furfural 92.58
    n-dodecane 1.4
    diethylene glycol 11.25
    diisopropyl ether 7.54
    tert-amyl alcohol 11.26
    acetylacetone 63.9
    n-hexadecane 1.62
    acetophenone 38.18
    methyl propionate 47.91
    isopentyl acetate 15.52
    trichloroethylene 229.99
    n-nonanol 7.86
    cyclohexanol 11.75
    benzyl alcohol 20.59
    2-ethylhexanol 6.29
    isooctanol 5.97
    dipropyl ether 16.92
    1,2-dichlorobenzene 41.57
    ethyl lactate 13.97
    propylene carbonate 49.27
    n-methylformamide 32.66
    2-pentanol 6.72
    n-pentane 1.75
    1-propoxy-2-propanol 16.11
    1-methoxy-2-propyl acetate 26.89
    2-(2-methoxypropoxy) propanol 19.5
    mesitylene 7.22
    ε-caprolactone 60.26
    p-cymene 7.91
    epichlorohydrin 153.83
    1,1,1-trichloroethane 64.09
    2-aminoethanol 3.9
    morpholine-4-carbaldehyde 69.51
    sulfolane 142.61
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 64.84
    n-hexyl acetate 20.53
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 22.52
    sec-butyl acetate 15.2
    tert-butyl acetate 21.61
    decalin 2.56
    glycerin 5.38
    diglyme 58.23
    acrylic acid 24.36
    isopropyl myristate 9.7
    n-butyric acid 19.83
    acetyl acetate 33.82
    di(2-ethylhexyl) phthalate 9.79
    ethyl propionate 26.54
    nitromethane 93.29
    1,2-diethoxyethane 33.32
    benzonitrile 30.3
    trioctyl phosphate 6.88
    1-bromopropane 38.28
    gamma-valerolactone 103.09
    n-decanol 6.17
    triethyl phosphate 15.06
    4-methyl-2-pentanol 4.21
    propionitrile 26.7
    vinylene carbonate 48.92
    1,1,2-trichlorotrifluoroethane 61.48
    DMS 30.35
    cumene 8.95
    2-octanol 5.94
    2-hexanone 25.29
    octyl acetate 12.11
    limonene 10.16
    1,2-dimethoxyethane 50.37
    ethyl orthosilicate 13.51
    tributyl phosphate 8.86
    diacetone alcohol 21.85
    N,N-dimethylaniline 21.07
    acrylonitrile 42.15
    aniline 24.72
    1,3-propanediol 5.99
    bromobenzene 50.04
    dibromomethane 116.54
    1,1,2,2-tetrachloroethane 142.38
    2-methyl-cyclohexyl acetate 15.73
    tetrabutyl urea 14.57
    diisobutyl methanol 5.13
    2-phenylethanol 16.36
    styrene 21.19
    dioctyl adipate 17.15
    dimethyl sulfate 68.6
    ethyl butyrate 21.11
    methyl lactate 20.98
    butyl lactate 14.08
    diethyl carbonate 15.93
    propanediol butyl ether 10.7
    triethyl orthoformate 17.46
    p-tert-butyltoluene 6.62
    methyl 4-tert-butylbenzoate 27.92
    morpholine 48.05
    tert-butylamine 4.53
    n-dodecanol 5.03
    dimethoxymethane 57.17
    ethylene carbonate 36.55
    cyrene 30.36
    2-ethoxyethyl acetate 33.91
    2-ethylhexyl acetate 13.35
    1,2,4-trichlorobenzene 50.82
    4-methylpyridine 64.52
    dibutyl ether 15.14
    2,6-dimethyl-4-heptanol 5.13
    DEF 53.31
    dimethyl isosorbide 44.79
    tetrachloroethylene 88.97
    eugenol 22.95
    triacetin 31.28
    span 80 14.9
    1,4-butanediol 4.57
    1,1-dichloroethane 71.34
    2-methyl-1-pentanol 8.36
    methyl formate 35.09
    2-methyl-1-butanol 7.12
    n-decane 2.62
    butyronitrile 19.08
    3,7-dimethyl-1-octanol 6.69
    1-chlorooctane 9.1
    1-chlorotetradecane 3.8
    n-nonane 2.46
    undecane 1.8
    tert-butylcyclohexane 1.71
    cyclooctane 1.73
    cyclopentanol 16.3
    tetrahydropyran 46.11
    tert-amyl methyl ether 20.45
    2,5,8-trioxanonane 40.7
    1-hexene 8.18
    2-isopropoxyethanol 16.32
    2,2,2-trifluoroethanol 21.56
    methyl butyrate 28.02

    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