Alpha-Tocopherol

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  • Identifiers

    CAS number
    59-02-9

    Molecular formula
    C29H50O2

    SMILES
    CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 41.62%
    Spicy 41.21%
    Balsamic 32.04%
    Waxy 31.1%
    Floral 29.25%
    Phenolic 27.89%
    Sweet 27.53%
    Animal 27.41%
    Dry 27.18%
    Burnt 26.96%

     

    Flavor
    Woody 35.67%
    Spice 29.73%
    Mild 26.49%
    Herbal 25.32%
    Thymol 21.76%
    Bland 21.74%
    Delicate 21.41%
    Creosote 21.14%
    Camphor 20.95%
    Wood 20.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.7

    pKa est.
    8.72 (weak base)

    Molecular weight
    430.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 3 °C

    Boiling point

    • Decomposes

    Flash point

    • 177.55 ˚C est.

    Solubility expt.

    • Insoluble
    • Insoluble in water, freely soluble in ethanol, miscible in ether

  • Synonyms

    • VITAMIN E
    • alpha-Tocopherol
    • 59-02-9
    • D-alpha-Tocopherol
    • 5,7,8-Trimethyltocol
    • (+)-alpha-Tocopherol
    • 2074-53-5
    • alpha Tocopherol
    • Phytogermine
    • TOCOPHEROL
    • Aquasol E
    • (R,R,R)-alpha-Tocopherol
    • Syntopherol
    • Viteolin
    • Eprolin
    • Esorb
    • (2R,4'R,8'R)-alpha-Tocopherol
    • Tocopherol alpha
    • dl-a-Tocopherol
    • alpha-Vitamin E
    • Profecundin
    • Denamone
    • Epsilan
    • Tokopharm
    • Vascuals
    • Viprimol
    • Etavit
    • alpha-Tokoferol
    • Evion
    • alpha-Tocopherol, D-
    • d-a-tocopherol
    • Eprolin S
    • Viterra E
    • E Prolin
    • E-Vimin
    • D-alpha tocopherol
    • Lan-E
    • Med-E
    • Tenox GT 1
    • Vi-E
    • Rhenogran Ronotec 50
    • (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
    • Covitol F 1000
    • E 307 (tocopherol)
    • Vitamin Ea
    • a-D-Tocopherol
    • D-|A-Tocopherol
    • (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
    • Tocopherol (R,S)
    • (+)-a-Tocopherol
    • CCRIS 3588
    • CHEBI:18145
    • 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol
    • HSDB 2556
    • 1406-18-4
    • EINECS 200-412-2
    • NSC 20812
    • Evitaminum
    • Waynecomycin
    • Almefrol
    • E307
    • Emipherol
    • Etamican
    • Vitayonon
    • Ilitia
    • (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
    • (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
    • H4N855PNZ1
    • BPBio1_000362
    • 18920-62-2
    • Vitaplex E
    • DTXSID0026339
    • E 307
    • Spavit E
    • EC 200-412-2
    • ido-E
    • Endo E
    • N9PR3490H9
    • Antisterility vitamin
    • MFCD00072045
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
    • (+/-)-alpha-Tocopherol
    • DTXCID706339
    • rel-alpha-Vitamin E
    • RRR-alpha-tocopherol
    • Vitamin E alpha
    • CAS-59-02-9
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R-(2R*(4R*,8R*)))-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
    • SMR000471844
    • VIV
    • alpha-Tocopherol acid
    • 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
    • (all-R)-alpha-Tocopherol
    • DTXSID8021355
    • Phytogermin
    • Palmvtee
    • alpha-Tocoferol
    • (+-)-Med-E
    • UNII-N9PR3490H9
    • Vitamin Ealpha
    • NSC-20812
    • Alpha-tocopherols
    • .ALPHA.-TOCOPHEROL, D-
    • Pheryl-E
    • DL--Tocopherol
    • Vita plus E
    • Acne C-Patch
    • rel--Vitamin E
    • -Vitamin E
    • Vitamin e d-alpha
    • NCGC00016688-02
    • Vitamin E, liquid
    • Prestwick_653
    • EINECS 215-798-8
    • EINECS 218-197-9
    • .alpha.-Vitamin E
    • Envirose 100
    • NSC 82623
    • COVIREL
    • RRR-alpha-tocopheryl
    • Vitamin E [USP]
    • ()-alpha-Tocopherol
    • delta-alpha-tocopherol
    • alpha-delta-Tocopherol
    • Tocopherol, d-alpha-
    • CONTROX VP

  • Applications

    Alpha-tocopherol (CAS 59-02-9) is widely used as an antioxidant and as a vitamin E ingredient with several real-world applications across industries. In cosmetics and personal care, it acts as an antioxidant and emollient ingredient, helping stabilize formulations and protect skin and hair from oxidative degradation. In food processing and lipid-containing products, it is used to extend shelf life and provide vitamin E nutrition. In animal feed and livestock nutrition, it serves as a dietary supplement to improve the nutritional value of rations. In polymers, plastics, and coatings/inks, it serves as an antioxidant stabilizer to improve aging resistance and color retention. In pharmaceutical formulations, it is used as a dietary supplement ingredient in vitamin preparations and nutraceuticals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 193.71
    methanol 73.02
    isopropanol 159.5
    water 0.08
    ethyl acetate 524.43
    n-propanol 244.68
    acetone 318.17
    n-butanol 293.78
    acetonitrile 73.47
    DMF 214.86
    toluene 410.56
    isobutanol 207.89
    1,4-dioxane 856.54
    methyl acetate 314.72
    THF 1589.69
    2-butanone 495.16
    n-pentanol 264.71
    sec-butanol 244.94
    n-hexane 82.14
    ethylene glycol 2.43
    NMP 348.0
    cyclohexane 153.03
    DMSO 137.72
    n-butyl acetate 770.45
    n-octanol 209.83
    chloroform 1161.54
    n-propyl acetate 592.23
    acetic acid 108.11
    dichloromethane 1106.64
    cyclohexanone 921.26
    propylene glycol 10.96
    isopropyl acetate 497.07
    DMAc 456.02
    2-ethoxyethanol 302.76
    isopentanol 291.13
    n-heptane 79.2
    ethyl formate 194.38
    1,2-dichloroethane 653.15
    n-hexanol 295.32
    2-methoxyethanol 210.7
    isobutyl acetate 517.98
    tetrachloromethane 249.74
    n-pentyl acetate 832.74
    transcutol 1300.0
    n-heptanol 245.44
    ethylbenzene 249.18
    MIBK 396.75
    2-propoxyethanol 446.82
    tert-butanol 192.09
    MTBE 670.93
    2-butoxyethanol 450.17
    propionic acid 130.31
    o-xylene 233.56
    formic acid 13.01
    diethyl ether 666.29
    m-xylene 260.9
    p-xylene 332.42
    chlorobenzene 486.87
    dimethyl carbonate 89.77
    n-octane 33.32
    formamide 29.59
    cyclopentanone 687.73
    2-pentanone 512.6
    anisole 450.03
    cyclopentyl methyl ether 717.9
    gamma-butyrolactone 612.42
    1-methoxy-2-propanol 212.88
    pyridine 650.85
    3-pentanone 394.75
    furfural 428.42
    n-dodecane 17.95
    diethylene glycol 87.23
    diisopropyl ether 214.52
    tert-amyl alcohol 293.28
    acetylacetone 458.02
    n-hexadecane 21.95
    acetophenone 384.38
    methyl propionate 309.12
    isopentyl acetate 802.88
    trichloroethylene 1047.65
    n-nonanol 217.69
    cyclohexanol 334.88
    benzyl alcohol 243.53
    2-ethylhexanol 289.86
    isooctanol 261.31
    dipropyl ether 532.75
    1,2-dichlorobenzene 431.44
    ethyl lactate 125.67
    propylene carbonate 375.73
    n-methylformamide 89.19
    2-pentanol 221.75
    n-pentane 55.64
    1-propoxy-2-propanol 423.23
    1-methoxy-2-propyl acetate 588.88
    2-(2-methoxypropoxy) propanol 328.15
    mesitylene 175.26
    ε-caprolactone 932.66
    p-cymene 191.61
    epichlorohydrin 933.74
    1,1,1-trichloroethane 688.83
    2-aminoethanol 20.59
    morpholine-4-carbaldehyde 485.96
    sulfolane 481.45
    2,2,4-trimethylpentane 53.99
    2-methyltetrahydrofuran 1207.18
    n-hexyl acetate 772.77
    isooctane 36.54
    2-(2-butoxyethoxy)ethanol 475.23
    sec-butyl acetate 490.62
    tert-butyl acetate 567.67
    decalin 80.64
    glycerin 15.15
    diglyme 1028.78
    acrylic acid 65.73
    isopropyl myristate 253.42
    n-butyric acid 376.35
    acetyl acetate 280.77
    di(2-ethylhexyl) phthalate 207.3
    ethyl propionate 425.12
    nitromethane 200.53
    1,2-diethoxyethane 910.27
    benzonitrile 273.65
    trioctyl phosphate 153.99
    1-bromopropane 532.47
    gamma-valerolactone 1101.61
    n-decanol 139.09
    triethyl phosphate 226.88
    4-methyl-2-pentanol 158.46
    propionitrile 146.36
    vinylene carbonate 313.15
    1,1,2-trichlorotrifluoroethane 308.66
    DMS 292.38
    cumene 180.9
    2-octanol 211.4
    2-hexanone 541.52
    octyl acetate 312.69
    limonene 282.67
    1,2-dimethoxyethane 749.38
    ethyl orthosilicate 275.74
    tributyl phosphate 179.37
    diacetone alcohol 341.55
    N,N-dimethylaniline 270.72
    acrylonitrile 107.45
    aniline 276.98
    1,3-propanediol 83.78
    bromobenzene 572.63
    dibromomethane 705.78
    1,1,2,2-tetrachloroethane 859.32
    2-methyl-cyclohexyl acetate 493.01
    tetrabutyl urea 230.61
    diisobutyl methanol 181.26
    2-phenylethanol 339.54
    styrene 280.68
    dioctyl adipate 329.45
    dimethyl sulfate 120.48
    ethyl butyrate 561.55
    methyl lactate 69.2
    butyl lactate 356.03
    diethyl carbonate 303.62
    propanediol butyl ether 219.58
    triethyl orthoformate 470.32
    p-tert-butyltoluene 184.38
    methyl 4-tert-butylbenzoate 430.55
    morpholine 940.73
    tert-butylamine 148.75
    n-dodecanol 94.73
    dimethoxymethane 329.89
    ethylene carbonate 330.29
    cyrene 255.94
    2-ethoxyethyl acetate 862.93
    2-ethylhexyl acetate 714.91
    1,2,4-trichlorobenzene 471.35
    4-methylpyridine 716.11
    dibutyl ether 503.95
    2,6-dimethyl-4-heptanol 181.26
    DEF 466.97
    dimethyl isosorbide 683.08
    tetrachloroethylene 533.85
    eugenol 343.2
    triacetin 511.94
    span 80 322.04
    1,4-butanediol 39.07
    1,1-dichloroethane 563.46
    2-methyl-1-pentanol 313.38
    methyl formate 68.96
    2-methyl-1-butanol 307.48
    n-decane 45.18
    butyronitrile 246.37
    3,7-dimethyl-1-octanol 232.99
    1-chlorooctane 214.79
    1-chlorotetradecane 64.14
    n-nonane 40.91
    undecane 26.27
    tert-butylcyclohexane 72.14
    cyclooctane 57.71
    cyclopentanol 246.88
    tetrahydropyran 1379.84
    tert-amyl methyl ether 473.15
    2,5,8-trioxanonane 539.69
    1-hexene 252.47
    2-isopropoxyethanol 325.55
    2,2,2-trifluoroethanol 36.5
    methyl butyrate 554.92

    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