Alpha-Tocopherol Acetate

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  • Identifiers

    CAS number
    58-95-7

    Molecular formula
    C31H52O3

    SMILES
    CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 51.6%
    Woody 48.75%
    Sweet 39.14%
    Balsamic 38.34%
    Waxy 37.21%
    Spicy 35.84%
    Powdery 34.62%
    Fruity 31.71%
    Dry 31.49%
    Musk 29.2%

     

    Flavor
    Woody 46.06%
    Herbal 29.42%
    Spice 28.52%
    Mild 28.47%
    Wood 23.41%
    Bland 22.65%
    Camphor 21.69%
    Delicate 21.38%
    Thymol 21.31%
    Sandalwood 20.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 82 °F (NTP, 1992)
    • 10 degrees Celcius

    Boiling point

    • 363 °F at 0.01 mmHg (NTP, 1992)
    • >343 degrees Celcius

    Flash point

    • 179.02 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 63 °F (NTP, 1992)
    • Insoluble in cold water and hot water

  • Synonyms

    • alpha-Tocopherol acetate
    • Tocopherol acetate
    • Alfacol
    • Ecofrol
    • Contopheron
    • Tofaxin
    • Econ
    • Ephynal acetate
    • Evipherol
    • Tocopherex
    • Tocophrin
    • Erevit
    • Gevex
    • Combinal E
    • Tokoferol acetate
    • Endo E Dompe
    • Juvela
    • Copherol 1250
    • Covitol 1100
    • Covitol 1360
    • Vitamin Ealpha acetate
    • Tinoderm E
    • Fertilvit
    • Simmyungsaengmosu
    • (2R,4'R,8'R)-alpha-Tocopheryl acetate
    • 9E8X80D2L0
    • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
    • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-
    • Tocopheryl acetate,alpha
    • E-tabs
    • ((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl) acetate
    • ((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl) acetate
    • RefChem:5532
    • Vitamin E (alpha tocopherol acetate)
    • 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl acetate
    • 58-95-7
    • Vitamin E acetate
    • D-alpha-tocopherol acetate
    • D-ALPHA-TOCOPHERYL ACETATE
    • (+)-alpha-Tocopherol acetate
    • Tocopheryl acetate
    • alpha-Tocopheryl acetate
    • Vitamin E acetate, d-
    • DL-alpha-Tocopheryl acetate
    • Epsilan-M
    • E-Toplex
    • E-Ferol
    • Ephynal
    • Spondyvit
    • MFCD00072052
    • DL-alpha-Tocopherylacetate
    • (+)-alpha-Tocopheryl acetate
    • A7E6112E4N
    • D-|A-Tocopherol acetate
    • D-alpha tocoferil acetate
    • D-alfa-Tocopherol Acetate
    • (R,R,R)-alpha-Tocopheryl acetate
    • d-Vitamin E acetate
    • d-Alpha Tocopheryl Acetate
    • RRR-alpha-tocopheryl acetate
    • (+)-alfa-tocopherol acetate
    • NCGC00166253-02
    • alpha-tocopheryl acetate, D-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate
    • alpha-Tocopherol acetate, all rac
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-
    • DTXSID1031096
    • DTXSID3021356
    • Nanotopes
    • DL-alpha-Tocopherylacetate (Vitamin E acetate)
    • NatAc
    • D-.alpha.-Tocopherol acetate
    • a-tocopherol acetate
    • Vectan (TN)
    • Natur-E granulate
    • 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-
    • (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate
    • 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-,acetate, (2R)-
    • DL--Tocopherol acetate
    • Lutavit E 50
    • SMR000857327
    • CAS-52225-20-4
    • DL-|A-Tocopherol acetate
    • .alpha.-Tocopheryl acetate
    • (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, 6-acetate, (2R)-
    • D-.alpha.-Tocopheryl acetate
    • (+)-.alpha.-Tocopherol acetate
    • (+)-.alpha.-Tocopheryl acetate
    • DTXCID60196594
    • CCRIS 4389
    • MFCD00072042
    • (R,R,R)-.alpha.-Tocopheryl acetate
    • DL-alpha-Tocopherylacetate (Vitamin E acetate) 10 microg/mL in Acetonitrile
    • EINECS 200-405-4
    • EINECS 231-710-0
    • (+)-|A-Tocopherol acetate
    • Vitamin E Acetate (D-form)
    • Tocopheryl acetate, D-alpha-
    • Alpha Tocopheryl Acetate
    • UNII-9E8X80D2L0
    • UNII-A7E6112E4N
    • BRN 0097512
    • (2R,4'R,8'R)-.alpha.-Tocopheryl acetate
    • alpha-Tocopherol acetate, (2R,4'R,8'R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-rel-
    • Tocopherolacetate, alpha-
    • 54-22-8
    • Tocopherol acetate [JAN]
    • CHEMBL1047
    • SCHEMBL22298
    • MLS001335985
    • MLS001335986
    • CHEBI:32321
    • NSC-755840
    • 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate #
    • EC 231-710-0
    • T-3376
    • HMS2230C20
    • [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-
    • 5-17-04-00169 (Beilstein Handbook Reference)
    • Tox21_111491
    • Tox21_111564
    • Tox21_113467
    • Tox21_303444
    • 58-95-7

  • Applications

    Alpha-Tocopherol Acetate is a lipophilic vitamin E ester widely used as an antioxidant and stabilizer in cosmetics and personal care formulations; as a vitamin E source and fat/oil stabilizer in food processing and dietary supplements; as a feed additive in agriculture to supply vitamin E to livestock; as an antioxidant stabilizer in polymers/plastics and in coatings/inks to improve oxidative stability; and as an intermediate in the synthesis of tocopherol derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.94
    methanol 53.27
    isopropanol 98.13
    water 0.09
    ethyl acetate 380.61
    n-propanol 171.04
    acetone 232.01
    n-butanol 172.23
    acetonitrile 76.52
    DMF 212.96
    toluene 318.92
    isobutanol 156.19
    1,4-dioxane 521.07
    methyl acetate 241.57
    THF 968.34
    2-butanone 387.59
    n-pentanol 209.87
    sec-butanol 182.76
    n-hexane 46.8
    ethylene glycol 2.92
    NMP 449.31
    cyclohexane 90.19
    DMSO 135.74
    n-butyl acetate 417.22
    n-octanol 131.34
    chloroform 1207.07
    n-propyl acetate 415.21
    acetic acid 114.81
    dichloromethane 1090.3
    cyclohexanone 776.33
    propylene glycol 11.96
    isopropyl acetate 322.91
    DMAc 467.77
    2-ethoxyethanol 235.57
    isopentanol 181.26
    n-heptane 28.18
    ethyl formate 155.79
    1,2-dichloroethane 586.62
    n-hexanol 162.57
    2-methoxyethanol 138.86
    isobutyl acetate 354.84
    tetrachloromethane 216.61
    n-pentyl acetate 538.27
    transcutol 708.45
    n-heptanol 154.23
    ethylbenzene 199.17
    MIBK 273.29
    2-propoxyethanol 271.64
    tert-butanol 108.26
    MTBE 299.42
    2-butoxyethanol 300.3
    propionic acid 131.99
    o-xylene 186.38
    formic acid 17.56
    diethyl ether 319.48
    m-xylene 192.63
    p-xylene 277.65
    chlorobenzene 446.08
    dimethyl carbonate 88.59
    n-octane 15.38
    formamide 35.51
    cyclopentanone 640.57
    2-pentanone 363.08
    anisole 337.63
    cyclopentyl methyl ether 491.55
    gamma-butyrolactone 572.79
    1-methoxy-2-propanol 152.33
    pyridine 564.93
    3-pentanone 322.38
    furfural 414.62
    n-dodecane 9.65
    diethylene glycol 71.16
    diisopropyl ether 109.01
    tert-amyl alcohol 182.82
    acetylacetone 354.6
    n-hexadecane 11.82
    acetophenone 333.23
    methyl propionate 266.53
    isopentyl acetate 431.42
    trichloroethylene 1082.27
    n-nonanol 133.36
    cyclohexanol 277.63
    benzyl alcohol 228.98
    2-ethylhexanol 157.41
    isooctanol 160.74
    dipropyl ether 221.24
    1,2-dichlorobenzene 412.63
    ethyl lactate 118.53
    propylene carbonate 335.41
    n-methylformamide 90.02
    2-pentanol 138.72
    n-pentane 31.13
    1-propoxy-2-propanol 235.32
    1-methoxy-2-propyl acetate 358.39
    2-(2-methoxypropoxy) propanol 239.67
    mesitylene 120.37
    ε-caprolactone 765.67
    p-cymene 115.81
    epichlorohydrin 810.3
    1,1,1-trichloroethane 647.82
    2-aminoethanol 21.99
    morpholine-4-carbaldehyde 433.84
    sulfolane 519.51
    2,2,4-trimethylpentane 28.4
    2-methyltetrahydrofuran 836.28
    n-hexyl acetate 511.93
    isooctane 15.53
    2-(2-butoxyethoxy)ethanol 312.85
    sec-butyl acetate 324.41
    tert-butyl acetate 334.42
    decalin 50.82
    glycerin 16.1
    diglyme 635.98
    acrylic acid 81.55
    isopropyl myristate 158.59
    n-butyric acid 275.05
    acetyl acetate 224.11
    di(2-ethylhexyl) phthalate 166.08
    ethyl propionate 314.66
    nitromethane 208.2
    1,2-diethoxyethane 424.37
    benzonitrile 242.89
    trioctyl phosphate 114.24
    1-bromopropane 448.21
    gamma-valerolactone 892.12
    n-decanol 86.19
    triethyl phosphate 163.0
    4-methyl-2-pentanol 99.27
    propionitrile 130.05
    vinylene carbonate 290.61
    1,1,2-trichlorotrifluoroethane 339.22
    DMS 261.79
    cumene 131.08
    2-octanol 134.87
    2-hexanone 401.62
    octyl acetate 206.48
    limonene 161.13
    1,2-dimethoxyethane 445.88
    ethyl orthosilicate 179.38
    tributyl phosphate 134.96
    diacetone alcohol 234.32
    N,N-dimethylaniline 204.69
    acrylonitrile 107.46
    aniline 245.98
    1,3-propanediol 59.34
    bromobenzene 526.48
    dibromomethane 704.74
    1,1,2,2-tetrachloroethane 921.59
    2-methyl-cyclohexyl acetate 325.22
    tetrabutyl urea 174.72
    diisobutyl methanol 90.48
    2-phenylethanol 245.32
    styrene 231.42
    dioctyl adipate 236.48
    dimethyl sulfate 133.28
    ethyl butyrate 315.92
    methyl lactate 71.02
    butyl lactate 270.37
    diethyl carbonate 197.51
    propanediol butyl ether 178.74
    triethyl orthoformate 269.54
    p-tert-butyltoluene 102.41
    methyl 4-tert-butylbenzoate 318.86
    morpholine 616.31
    tert-butylamine 77.62
    n-dodecanol 58.31
    dimethoxymethane 225.13
    ethylene carbonate 285.1
    cyrene 246.18
    2-ethoxyethyl acetate 589.52
    2-ethylhexyl acetate 402.97
    1,2,4-trichlorobenzene 497.6
    4-methylpyridine 607.04
    dibutyl ether 231.42
    2,6-dimethyl-4-heptanol 90.48
    DEF 361.1
    dimethyl isosorbide 483.02
    tetrachloroethylene 538.64
    eugenol 280.38
    triacetin 406.35
    span 80 244.49
    1,4-butanediol 38.98
    1,1-dichloroethane 532.13
    2-methyl-1-pentanol 238.73
    methyl formate 71.41
    2-methyl-1-butanol 214.24
    n-decane 22.89
    butyronitrile 177.6
    3,7-dimethyl-1-octanol 139.67
    1-chlorooctane 134.73
    1-chlorotetradecane 39.85
    n-nonane 20.52
    undecane 13.89
    tert-butylcyclohexane 39.73
    cyclooctane 28.35
    cyclopentanol 233.07
    tetrahydropyran 831.79
    tert-amyl methyl ether 269.04
    2,5,8-trioxanonane 351.15
    1-hexene 176.02
    2-isopropoxyethanol 245.61
    2,2,2-trifluoroethanol 48.83
    methyl butyrate 403.14

    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