Trolox

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  • Identifiers

    CAS number
    53188-07-1

    Molecular formula
    C14H18O4

    SMILES
    CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 47.22%
    Sweet 42.34%
    Powdery 35.55%
    Dry 33.87%
    Musk 32.86%
    Spicy 32.2%
    Burnt 32.17%
    Vanilla 31.57%
    Woody 30.02%
    Smoky 29.18%

     

    Flavor
    Bitter 40.08%
    Phenolic 27.79%
    Odorless 24.7%
    Woody 24.17%
    Smoky 23.68%
    Powdery 23.42%
    Mild 23.07%
    Burnt 22.74%
    Musty 22.7%
    Eugenol 22.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.92 (neutral)

    Molecular weight
    250.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    447°C

    Flash point

    • 180.87 ˚C est.

  • Synonyms

    • trolox
    • 53188-07-1
    • 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
    • TROLOX C
    • 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
    • S18UL9710X
    • 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
    • 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
    • CHEBI:82625
    • DTXSID60866306
    • (+--)-trolox
    • RefChem:543360
    • DTXCID60220823
    • (+--)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
    • 2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+--)-
    • 258-422-8
    • 6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
    • MFCD00006846
    • 56305-04-5
    • 6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid
    • 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-
    • ( inverted exclamation markA)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
    • (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
    • 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid
    • (+/-)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
    • EINECS 258-422-8
    • BRN 5052542
    • UNII-S18UL9710X
    • Trolox(TM)
    • Prestwick_855
    • (S)-Trolox?
    • Prestwick0_000530
    • Prestwick1_000530
    • Prestwick2_000530
    • Prestwick3_000530
    • TROLOX [MI]
    • CHEMBL153
    • SCHEMBL3226
    • 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+-)-
    • Oprea1_727377
    • BSPBio_000519
    • MLS002153860
    • SPBio_002440
    • (+/-)-TROLOX
    • BPBio1_000571
    • orb1307667
    • 6-Hydroxy-2,5,7,8-tetramethyl-2-chromancarboxylic acid
    • SCHEMBL29375939
    • 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid
    • HMS1569J21
    • HMS2096J21
    • HMS2230A15
    • HMS3369E20
    • HMS3713J21
    • HMS3885K19
    • HMS6018E05
    • BBL103047
    • BDBM50359629
    • EBC-13681
    • GEO-03688
    • s3665
    • SBB005933
    • STL556856
    • AKOS015856256
    • CCG-207912
    • CS-8035
    • FH45495
    • NCGC00179534-01
    • AS-30121
    • OH173747
    • SMR001233218
    • ST057520
    • SY011105
    • DB-052268
    • DB-071631
    • HY-101445
    • H0726
    • NS00015501
    • 6-hydroxy-2,5,7,8-tetramethylchromanic acid
    • EN300-370592
    • H-6770
    • F242227
    • Q245489
    • SR-01000841227
    • SR-01000841227-2
    • BRD-A17846016-001-03-0
    • BRD-A17846016-001-07-1
    • BRD-A17846016-001-13-9
    • 6-hydroxy-2,5,7,8-tetramethychroman-2-carboxylic acid
    • Z3013814504
    • 6-Hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid #
    • (?-6-Hydroxy-2,5,7,8-Tetramethylchromane-2-Carboxylic Acid
    • (6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)carboxylic acid
    • (+/-)- 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
    • (R,S)-6-hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid
    • (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 97%
    • 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACID, (+/-)-
    • 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2h-1-benzopyran-2- carboxylic acid
    • 6-hydroxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
    • Trolox is also know as 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid.
    • 2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-, (+/-)-
    • 53188-07-1

  • Applications

    Trolox (CAS 53188-07-1) is a water-soluble antioxidant widely used in analytical, cosmetics, polymer, and pharmaceutical contexts. In analytical chemistry it serves as a standard antioxidant for ORAC and related radical-scavenging assays. In cosmetics and personal care, it is used as an antioxidant additive to improve formulation stability; in polymers and coatings, it is evaluated as a stabilizer to slow oxidation of resins and plastics. In food processing and nutraceutical research, Trolox is commonly evaluated as a benchmark antioxidant for assessing antioxidant capacity and is often used in formulation studies to leverage its radical-scavenging properties. In pharmaceutical research, it is used as a model antioxidant in formulation and efficacy studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.55
    methanol 177.51
    isopropanol 71.7
    water 0.68
    ethyl acetate 89.31
    n-propanol 66.48
    acetone 158.68
    n-butanol 56.95
    acetonitrile 46.96
    DMF 413.4
    toluene 34.92
    isobutanol 43.52
    1,4-dioxane 312.26
    methyl acetate 106.13
    THF 344.63
    2-butanone 116.39
    n-pentanol 46.18
    sec-butanol 53.15
    n-hexane 1.74
    ethylene glycol 27.49
    NMP 131.55
    cyclohexane 2.64
    DMSO 344.22
    n-butyl acetate 73.4
    n-octanol 31.83
    chloroform 127.82
    n-propyl acetate 63.04
    acetic acid 70.32
    dichloromethane 152.15
    cyclohexanone 120.81
    propylene glycol 21.59
    isopropyl acetate 60.36
    DMAc 213.73
    2-ethoxyethanol 161.59
    isopentanol 54.19
    n-heptane 1.93
    ethyl formate 63.33
    1,2-dichloroethane 109.83
    n-hexanol 53.91
    2-methoxyethanol 218.63
    isobutyl acetate 37.11
    tetrachloromethane 22.13
    n-pentyl acetate 69.5
    transcutol 229.77
    n-heptanol 44.9
    ethylbenzene 30.17
    MIBK 63.1
    2-propoxyethanol 155.16
    tert-butanol 115.29
    MTBE 85.99
    2-butoxyethanol 99.51
    propionic acid 48.73
    o-xylene 36.94
    formic acid 60.42
    diethyl ether 79.75
    m-xylene 33.18
    p-xylene 37.23
    chlorobenzene 46.07
    dimethyl carbonate 65.86
    n-octane 2.1
    formamide 151.89
    cyclopentanone 186.3
    2-pentanone 91.18
    anisole 87.62
    cyclopentyl methyl ether 78.79
    gamma-butyrolactone 201.7
    1-methoxy-2-propanol 150.56
    pyridine 114.76
    3-pentanone 67.46
    furfural 183.13
    n-dodecane 1.87
    diethylene glycol 135.8
    diisopropyl ether 23.57
    tert-amyl alcohol 76.06
    acetylacetone 129.13
    n-hexadecane 2.21
    acetophenone 85.22
    methyl propionate 84.89
    isopentyl acetate 71.28
    trichloroethylene 188.18
    n-nonanol 33.55
    cyclohexanol 40.27
    benzyl alcohol 72.8
    2-ethylhexanol 29.78
    isooctanol 37.19
    dipropyl ether 33.87
    1,2-dichlorobenzene 55.49
    ethyl lactate 37.69
    propylene carbonate 79.93
    n-methylformamide 173.01
    2-pentanol 38.64
    n-pentane 1.69
    1-propoxy-2-propanol 86.9
    1-methoxy-2-propyl acetate 98.03
    2-(2-methoxypropoxy) propanol 80.68
    mesitylene 22.05
    ε-caprolactone 98.08
    p-cymene 21.89
    epichlorohydrin 261.13
    1,1,1-trichloroethane 70.04
    2-aminoethanol 46.36
    morpholine-4-carbaldehyde 252.5
    sulfolane 224.49
    2,2,4-trimethylpentane 2.83
    2-methyltetrahydrofuran 133.92
    n-hexyl acetate 74.53
    isooctane 2.53
    2-(2-butoxyethoxy)ethanol 110.17
    sec-butyl acetate 41.01
    tert-butyl acetate 84.66
    decalin 3.6
    glycerin 47.09
    diglyme 225.04
    acrylic acid 45.45
    isopropyl myristate 30.7
    n-butyric acid 60.85
    acetyl acetate 62.19
    di(2-ethylhexyl) phthalate 36.35
    ethyl propionate 51.96
    nitromethane 221.34
    1,2-diethoxyethane 101.54
    benzonitrile 62.32
    trioctyl phosphate 26.69
    1-bromopropane 34.12
    gamma-valerolactone 260.72
    n-decanol 24.28
    triethyl phosphate 32.21
    4-methyl-2-pentanol 30.16
    propionitrile 40.64
    vinylene carbonate 87.83
    1,1,2-trichlorotrifluoroethane 125.73
    DMS 78.48
    cumene 23.83
    2-octanol 32.31
    2-hexanone 68.17
    octyl acetate 39.66
    limonene 24.21
    1,2-dimethoxyethane 291.57
    ethyl orthosilicate 32.27
    tributyl phosphate 27.06
    diacetone alcohol 98.1
    N,N-dimethylaniline 63.8
    acrylonitrile 66.08
    aniline 52.48
    1,3-propanediol 84.02
    bromobenzene 40.83
    dibromomethane 72.06
    1,1,2,2-tetrachloroethane 145.28
    2-methyl-cyclohexyl acetate 51.24
    tetrabutyl urea 38.19
    diisobutyl methanol 24.21
    2-phenylethanol 76.54
    styrene 30.46
    dioctyl adipate 42.83
    dimethyl sulfate 110.95
    ethyl butyrate 48.11
    methyl lactate 47.72
    butyl lactate 50.86
    diethyl carbonate 36.24
    propanediol butyl ether 68.6
    triethyl orthoformate 40.71
    p-tert-butyltoluene 22.76
    methyl 4-tert-butylbenzoate 84.01
    morpholine 246.01
    tert-butylamine 50.92
    n-dodecanol 17.57
    dimethoxymethane 277.63
    ethylene carbonate 71.1
    cyrene 91.22
    2-ethoxyethyl acetate 113.01
    2-ethylhexyl acetate 51.51
    1,2,4-trichlorobenzene 64.24
    4-methylpyridine 106.0
    dibutyl ether 33.09
    2,6-dimethyl-4-heptanol 24.21
    DEF 102.01
    dimethyl isosorbide 143.52
    tetrachloroethylene 108.56
    eugenol 85.1
    triacetin 85.11
    span 80 60.03
    1,4-butanediol 37.13
    1,1-dichloroethane 70.93
    2-methyl-1-pentanol 44.07
    methyl formate 154.45
    2-methyl-1-butanol 42.76
    n-decane 3.41
    butyronitrile 41.47
    3,7-dimethyl-1-octanol 29.78
    1-chlorooctane 16.88
    1-chlorotetradecane 7.1
    n-nonane 2.73
    undecane 2.48
    tert-butylcyclohexane 4.24
    cyclooctane 1.45
    cyclopentanol 52.39
    tetrahydropyran 123.98
    tert-amyl methyl ether 57.85
    2,5,8-trioxanonane 151.12
    1-hexene 9.37
    2-isopropoxyethanol 105.19
    2,2,2-trifluoroethanol 47.14
    methyl butyrate 65.84

    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