Titanium Salicylate

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  • Identifiers

    CAS number
    96419-31-7

    Molecular formula
    C14H8O6Ti

    SMILES
    C1=CC=C(C(=C1)C(=O)[O-])[O-].C1=CC=C(C(=C1)C(=O)[O-])[O-].[Ti+4]

    Safety labels

  • Odor profile

    Fragrance
    Sweet 52.74%
    Odorless 47.2%
    Phenolic 42.23%
    Balsamic 36.47%
    Powdery 30.22%
    Bitter 30.2%
    Honey 28.58%
    Floral 27.37%
    Aromatic 25.53%
    Vanilla 25.44%

     

    Flavor
    Bitter 40.93%
    Odorless 40.58%
    Phenolic 38.19%
    Mild 34.43%
    Nutty 29.42%
    Faint 25.33%
    Balsam 23.49%
    Urine 22.84%
    Honey 22.34%
    Powdery 21.93%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    3.0 (weak acid)

    Molecular weight
    320.08 g/mol

    Flash point

    • 76.72 ˚C est.

  • Synonyms

    • Titanium Salicylate
    • 79BFS0G4EW
    • UNII-79BFS0G4EW
    • 96419-31-7
    • TITANIUM SALICYLATE [WHO-DD]
    • Titanium, bis(2-(hydroxy-kappaO)benzoato(2-)-kappaO)-, (T-4)-
    • TITANIUM, BIS(2-(HYDROXY-.KAPPA.O)BENZOATO(2-)-.KAPPA.O)-, (T-4)-
    • RefChem:190155
    • DTXSID301021937
    • Q27266744
    • 96419-31-7

  • Applications

    Titanium Salicylate (CAS 96419-31-7) is a titanium complex with salicylate ligands used as a catalyst precursor for polymerization and other organic transformations, and may function as a catalyst or processing additive in polymers and coatings to support thermal stability and light stability; it is also used as a crosslinking catalyst or cure aid in coatings and adhesives formulations; additionally, Titanium Salicylate can act as a chelating agent or ligand source for metal–organic chemistry and materials synthesis, supporting research and development of advanced materials; in industrial contexts it may serve as a precursor for advanced materials and coordination-network structures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 928.82
    methanol 1728.57
    isopropanol 585.41
    water 3.75
    ethyl acetate 1013.71
    n-propanol 650.97
    acetone 1840.3
    n-butanol 657.77
    acetonitrile 1700.75
    DMF 4735.31
    toluene 163.18
    isobutanol 369.04
    1,4-dioxane 1105.54
    methyl acetate 1344.03
    THF 2943.63
    2-butanone 1398.16
    n-pentanol 450.84
    sec-butanol 599.23
    n-hexane 26.52
    ethylene glycol 461.84
    NMP 1729.81
    cyclohexane 19.39
    DMSO 3710.51
    n-butyl acetate 311.65
    n-octanol 312.01
    chloroform 297.85
    n-propyl acetate 462.8
    acetic acid 504.5
    dichloromethane 456.64
    cyclohexanone 676.59
    propylene glycol 365.35
    isopropyl acetate 386.45
    DMAc 2136.43
    2-ethoxyethanol 1220.27
    isopentanol 470.32
    n-heptane 19.72
    ethyl formate 699.1
    1,2-dichloroethane 642.84
    n-hexanol 350.79
    2-methoxyethanol 3036.16
    isobutyl acetate 147.42
    tetrachloromethane 34.16
    n-pentyl acetate 236.55
    transcutol 3820.03
    n-heptanol 183.38
    ethylbenzene 111.76
    MIBK 411.67
    2-propoxyethanol 943.15
    tert-butanol 577.89
    MTBE 426.49
    2-butoxyethanol 471.52
    propionic acid 463.12
    o-xylene 106.15
    formic acid 414.85
    diethyl ether 718.07
    m-xylene 122.98
    p-xylene 103.94
    chlorobenzene 185.63
    dimethyl carbonate 575.79
    n-octane 15.09
    formamide 1428.57
    cyclopentanone 1248.52
    2-pentanone 1098.68
    anisole 377.35
    cyclopentyl methyl ether 683.48
    gamma-butyrolactone 1395.14
    1-methoxy-2-propanol 1729.11
    pyridine 679.37
    3-pentanone 666.11
    furfural 966.96
    n-dodecane 20.72
    diethylene glycol 1040.45
    diisopropyl ether 130.29
    tert-amyl alcohol 546.42
    acetylacetone 991.79
    n-hexadecane 22.66
    acetophenone 322.44
    methyl propionate 1085.7
    isopentyl acetate 217.91
    trichloroethylene 760.44
    n-nonanol 279.14
    cyclohexanol 349.92
    benzyl alcohol 292.28
    2-ethylhexanol 162.35
    isooctanol 125.43
    dipropyl ether 207.97
    1,2-dichlorobenzene 162.93
    ethyl lactate 288.58
    propylene carbonate 474.62
    n-methylformamide 2459.42
    2-pentanol 451.74
    n-pentane 28.8
    1-propoxy-2-propanol 524.06
    1-methoxy-2-propyl acetate 410.3
    2-(2-methoxypropoxy) propanol 542.07
    mesitylene 74.16
    ε-caprolactone 601.83
    p-cymene 54.64
    epichlorohydrin 1899.37
    1,1,1-trichloroethane 288.6
    2-aminoethanol 585.8
    morpholine-4-carbaldehyde 1670.94
    sulfolane 1340.45
    2,2,4-trimethylpentane 15.28
    2-methyltetrahydrofuran 1155.0
    n-hexyl acetate 428.2
    isooctane 14.9
    2-(2-butoxyethoxy)ethanol 1074.09
    sec-butyl acetate 230.86
    tert-butyl acetate 379.75
    decalin 21.73
    glycerin 591.45
    diglyme 1583.75
    acrylic acid 410.99
    isopropyl myristate 164.59
    n-butyric acid 503.29
    acetyl acetate 365.67
    di(2-ethylhexyl) phthalate 103.16
    ethyl propionate 461.2
    nitromethane 2467.14
    1,2-diethoxyethane 685.6
    benzonitrile 334.05
    trioctyl phosphate 111.26
    1-bromopropane 343.78
    gamma-valerolactone 1357.04
    n-decanol 215.35
    triethyl phosphate 114.62
    4-methyl-2-pentanol 203.65
    propionitrile 907.78
    vinylene carbonate 400.13
    1,1,2-trichlorotrifluoroethane 657.38
    DMS 375.69
    cumene 65.23
    2-octanol 163.16
    2-hexanone 549.61
    octyl acetate 229.88
    limonene 76.04
    1,2-dimethoxyethane 1666.35
    ethyl orthosilicate 98.51
    tributyl phosphate 132.67
    diacetone alcohol 670.61
    N,N-dimethylaniline 227.28
    acrylonitrile 1386.38
    aniline 243.19
    1,3-propanediol 923.03
    bromobenzene 168.36
    dibromomethane 293.24
    1,1,2,2-tetrachloroethane 554.0
    2-methyl-cyclohexyl acetate 125.52
    tetrabutyl urea 206.83
    diisobutyl methanol 104.8
    2-phenylethanol 236.48
    styrene 144.41
    dioctyl adipate 202.62
    dimethyl sulfate 738.43
    ethyl butyrate 231.74
    methyl lactate 630.0
    butyl lactate 237.28
    diethyl carbonate 157.71
    propanediol butyl ether 646.3
    triethyl orthoformate 143.1
    p-tert-butyltoluene 54.66
    methyl 4-tert-butylbenzoate 232.05
    morpholine 1697.94
    tert-butylamine 241.03
    n-dodecanol 160.34
    dimethoxymethane 2444.56
    ethylene carbonate 331.45
    cyrene 316.45
    2-ethoxyethyl acetate 409.68
    2-ethylhexyl acetate 154.9
    1,2,4-trichlorobenzene 193.25
    4-methylpyridine 662.0
    dibutyl ether 298.84
    2,6-dimethyl-4-heptanol 104.8
    DEF 1376.98
    dimethyl isosorbide 631.21
    tetrachloroethylene 298.72
    eugenol 318.88
    triacetin 317.48
    span 80 339.16
    1,4-butanediol 332.13
    1,1-dichloroethane 409.76
    2-methyl-1-pentanol 324.04
    methyl formate 1701.91
    2-methyl-1-butanol 449.13
    n-decane 29.66
    butyronitrile 754.19
    3,7-dimethyl-1-octanol 228.76
    1-chlorooctane 136.01
    1-chlorotetradecane 60.74
    n-nonane 26.89
    undecane 25.02
    tert-butylcyclohexane 19.41
    cyclooctane 11.29
    cyclopentanol 444.1
    tetrahydropyran 783.21
    tert-amyl methyl ether 410.53
    2,5,8-trioxanonane 1085.88
    1-hexene 132.65
    2-isopropoxyethanol 561.33
    2,2,2-trifluoroethanol 212.79
    methyl butyrate 607.19

    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