Beta-Tocopherol

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  • Identifiers

    CAS number
    148-03-8

    Molecular formula
    C28H48O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 40.5%
    Spicy 39.24%
    Floral 34.99%
    Balsamic 33.36%
    Waxy 33.35%
    Animal 28.61%
    Sweet 27.31%
    Dry 26.3%
    Phenolic 25.43%
    Fruity 24.87%

     

    Flavor
    Woody 35.36%
    Spice 30.12%
    Mild 26.55%
    Herbal 24.69%
    Bland 22.1%
    Thymol 21.69%
    Delicate 21.55%
    Creosote 21.08%
    Wood 20.91%
    Green pepper 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.3

    pKa est.
    9.32 (weak base)

    Molecular weight
    416.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    533°C

    Melting point expt.

    • < 25 °C

    Flash point

    • 179.76 ˚C est.

  • Synonyms

    • BETA-TOCOPHEROL
    • 148-03-8
    • d-beta-Tocopherol
    • 5,8-Dimethyltocol
    • Cumotocopherol
    • Neotocopherol
    • p-Xylotocopherol
    • beta Tocopherol
    • 8K9365K9PX
    • (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
    • (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
    • J236.825K
    • 9U6A490501
    • CHEBI:47771
    • (2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
    • (2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
    • RefChem:567985
    • RRR-BETA-TOCOPHEROL
    • 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
    • 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
    • 205-708-5
    • 240-747-1
    • 16698-35-4
    • (R)-2,5,8-Trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
    • .beta.-Tocopherol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
    • MFCD23103042
    • b-Tocopherol (Racemic Mixture)
    • rel-(R)-2,5,8-Trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
    • beta-D-Tocopherol
    • [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-
    • DL-beta-Tocopherol
    • (?)-?-Tocopherol
    • (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-rel-
    • b-Tocopherol (1.0 mg/mL in hexane)(Racemic Mixture)
    • Neotocophero
    • UNII-8K9365K9PX
    • (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
    • beta -Tocopherol
    • -Tocopherol-d3
    • ?-D-Tocopherol
    • Tocopherol, beta-
    • UNII-9U6A490501
    • (2R(2R*(4R*,8R*)))-3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
    • (2R)-3,4-DIHYDRO-2,5,8-TRIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL
    • EINECS 205-708-5
    • EINECS 240-747-1
    • (+/-)-beta-Tocopherol
    • DL-BETA TOCOPHEROL
    • (R,R,R)-beta-Tocopherol
    • D-.BETA.-TOCOPHEROL
    • BIDD:PXR0140
    • SCHEMBL39202
    • DL-.BETA.-TOCOPHEROL
    • 6-Chromanol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
    • RRR-.BETA.-TOCOPHEROL
    • rac- beta -Tocopherol solution
    • orb1297443
    • orb3025855
    • .BETA.-TOCOPHEROL [MI]
    • .BETA.-TOCOPHEROL, DL-
    • (rel)-|A-Tocopherol (Standard)
    • BETA TOCOPHEROL [WHO-DD]
    • DTXSID10873424
    • DTXSID30884931
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
    • (+)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
    • 48223-98-9
    • MSK14753
    • RAA69835
    • VITAMIN E (BETA TOCOTRIENOL)
    • AKOS022171754
    • EBC-615877
    • HY-113068R
    • 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12- trimethyltridecyl)-2H-1-benzopyran-6-ol
    • 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
    • AS-74577
    • DA-59367
    • DA-71440
    • SY069070
    • XT183473
    • HY-133680
    • CS-0128997
    • NS00076596
    • J1.282.204I
    • J1.604.281A
    • E76237
    • Q155667
    • RRR-.ALPHA.-TOCOPHEROL IMPURITY B [EP IMPURITY]
    • FA7BA838-41F9-4B85-947D-F3A920942587
    • (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
    • (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
    • 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-, (2R*(4R*,8R*))- 6-CHROMANOL, 2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-
    • RAC-(2R*)-3,4-DIHYDRO-2,5,8-TRIMETHYL-2-((4R*,8R*)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL
    • REL-(2R*)-2,5,8-TRIMETHYL-2-((4R*,8R*)-4,8,12-TRIMETHYLTRIDECYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-OL
    • 148-03-8

  • Applications

    Beta-Tocopherol (CAS 148-03-8) is a form of vitamin E with antioxidant activity. In cosmetics and personal care, it serves as a vitamin E source and a skin-conditioning ingredient while helping stabilize formulations and protect against oxidation. In food processing and animal feed, Beta-Tocopherol is used as a nutritional supplement and antioxidant to inhibit lipid oxidation and extend shelf life. In plastics and polymers, it is employed as an antioxidant stabilizer to improve aging resistance of formulations. In coatings and inks, it acts as an antioxidant additive to prevent deterioration and color fade. In agriculture and animal nutrition, it is added to feeds as a vitamin E supplement and antioxidant. In pharmaceuticals and nutraceuticals, it may be included in vitamin E formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 437.4
    methanol 165.28
    isopropanol 378.07
    water 0.1
    ethyl acetate 861.57
    n-propanol 500.92
    acetone 583.95
    n-butanol 540.99
    acetonitrile 132.97
    DMF 355.6
    toluene 498.32
    isobutanol 404.25
    1,4-dioxane 1267.85
    methyl acetate 521.6
    THF 2371.05
    2-butanone 773.84
    n-pentanol 415.13
    sec-butanol 458.57
    n-hexane 104.86
    ethylene glycol 5.09
    NMP 439.52
    cyclohexane 214.54
    DMSO 232.97
    n-butyl acetate 1065.38
    n-octanol 291.64
    chloroform 1608.12
    n-propyl acetate 880.57
    acetic acid 178.21
    dichloromethane 1484.56
    cyclohexanone 1260.33
    propylene glycol 22.75
    isopropyl acetate 785.43
    DMAc 641.13
    2-ethoxyethanol 496.59
    isopentanol 499.8
    n-heptane 99.11
    ethyl formate 326.82
    1,2-dichloroethane 933.61
    n-hexanol 438.15
    2-methoxyethanol 397.76
    isobutyl acetate 752.57
    tetrachloromethane 321.78
    n-pentyl acetate 1071.19
    transcutol 1999.66
    n-heptanol 332.15
    ethylbenzene 278.71
    MIBK 582.19
    2-propoxyethanol 682.4
    tert-butanol 375.98
    MTBE 1100.76
    2-butoxyethanol 613.95
    propionic acid 212.37
    o-xylene 280.99
    formic acid 21.99
    diethyl ether 1109.02
    m-xylene 318.69
    p-xylene 380.46
    chlorobenzene 604.56
    dimethyl carbonate 140.88
    n-octane 42.13
    formamide 49.85
    cyclopentanone 965.67
    2-pentanone 776.19
    anisole 552.53
    cyclopentyl methyl ether 983.97
    gamma-butyrolactone 854.59
    1-methoxy-2-propanol 395.73
    pyridine 802.34
    3-pentanone 574.53
    furfural 577.31
    n-dodecane 23.8
    diethylene glycol 152.92
    diisopropyl ether 325.33
    tert-amyl alcohol 496.11
    acetylacetone 704.02
    n-hexadecane 29.11
    acetophenone 473.2
    methyl propionate 488.3
    isopentyl acetate 1094.77
    trichloroethylene 1389.83
    n-nonanol 288.33
    cyclohexanol 525.1
    benzyl alcohol 319.58
    2-ethylhexanol 393.66
    isooctanol 349.83
    dipropyl ether 739.05
    1,2-dichlorobenzene 517.81
    ethyl lactate 195.19
    propylene carbonate 528.81
    n-methylformamide 159.55
    2-pentanol 377.7
    n-pentane 79.58
    1-propoxy-2-propanol 630.31
    1-methoxy-2-propyl acetate 833.6
    2-(2-methoxypropoxy) propanol 434.14
    mesitylene 217.25
    ε-caprolactone 1251.48
    p-cymene 218.79
    epichlorohydrin 1299.02
    1,1,1-trichloroethane 963.89
    2-aminoethanol 41.88
    morpholine-4-carbaldehyde 664.13
    sulfolane 660.19
    2,2,4-trimethylpentane 70.9
    2-methyltetrahydrofuran 1735.63
    n-hexyl acetate 1007.54
    isooctane 49.78
    2-(2-butoxyethoxy)ethanol 646.8
    sec-butyl acetate 706.85
    tert-butyl acetate 839.2
    decalin 95.15
    glycerin 28.7
    diglyme 1411.32
    acrylic acid 101.01
    isopropyl myristate 326.63
    n-butyric acid 627.33
    acetyl acetate 420.85
    di(2-ethylhexyl) phthalate 249.97
    ethyl propionate 624.63
    nitromethane 324.89
    1,2-diethoxyethane 1317.06
    benzonitrile 358.4
    trioctyl phosphate 193.66
    1-bromopropane 760.0
    gamma-valerolactone 1512.46
    n-decanol 189.9
    triethyl phosphate 282.5
    4-methyl-2-pentanol 260.36
    propionitrile 242.96
    vinylene carbonate 432.29
    1,1,2-trichlorotrifluoroethane 458.46
    DMS 409.06
    cumene 206.19
    2-octanol 285.36
    2-hexanone 758.66
    octyl acetate 407.4
    limonene 340.55
    1,2-dimethoxyethane 1101.24
    ethyl orthosilicate 334.59
    tributyl phosphate 229.96
    diacetone alcohol 525.14
    N,N-dimethylaniline 321.89
    acrylonitrile 169.9
    aniline 375.15
    1,3-propanediol 170.86
    bromobenzene 689.7
    dibromomethane 955.65
    1,1,2,2-tetrachloroethane 1184.33
    2-methyl-cyclohexyl acetate 588.43
    tetrabutyl urea 289.6
    diisobutyl methanol 248.15
    2-phenylethanol 422.79
    styrene 320.58
    dioctyl adipate 411.66
    dimethyl sulfate 176.84
    ethyl butyrate 761.67
    methyl lactate 115.2
    butyl lactate 481.47
    diethyl carbonate 408.02
    propanediol butyl ether 324.4
    triethyl orthoformate 593.55
    p-tert-butyltoluene 213.06
    methyl 4-tert-butylbenzoate 503.43
    morpholine 1421.17
    tert-butylamine 270.24
    n-dodecanol 130.52
    dimethoxymethane 573.13
    ethylene carbonate 474.44
    cyrene 326.43
    2-ethoxyethyl acetate 1146.62
    2-ethylhexyl acetate 905.37
    1,2,4-trichlorobenzene 569.1
    4-methylpyridine 903.7
    dibutyl ether 677.96
    2,6-dimethyl-4-heptanol 248.15
    DEF 683.11
    dimethyl isosorbide 847.62
    tetrachloroethylene 712.53
    eugenol 412.33
    triacetin 676.61
    span 80 409.17
    1,4-butanediol 68.69
    1,1-dichloroethane 844.54
    2-methyl-1-pentanol 458.07
    methyl formate 120.03
    2-methyl-1-butanol 503.69
    n-decane 59.39
    butyronitrile 411.88
    3,7-dimethyl-1-octanol 327.7
    1-chlorooctane 279.81
    1-chlorotetradecane 83.8
    n-nonane 54.47
    undecane 34.86
    tert-butylcyclohexane 86.23
    cyclooctane 73.03
    cyclopentanol 396.13
    tetrahydropyran 2026.39
    tert-amyl methyl ether 697.72
    2,5,8-trioxanonane 715.17
    1-hexene 342.04
    2-isopropoxyethanol 497.74
    2,2,2-trifluoroethanol 58.55
    methyl butyrate 803.74

    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