eta-Tocopherol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    91-86-1

    Molecular formula
    C27H46O2

    SMILES
    CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C=C1O

    Safety labels

  • Odor profile

    Fragrance
    Floral 41.11%
    Spicy 38.46%
    Woody 35.19%
    Balsamic 35.07%
    Waxy 35.01%
    Animal 28.57%
    Sweet 27.46%
    Fruity 25.37%
    Phenolic 23.75%
    Dry 23.5%

     

    Flavor
    Woody 34.77%
    Spice 31.21%
    Mild 26.57%
    Herbal 25.91%
    Delicate 21.74%
    Thymol 21.72%
    Bland 21.66%
    Creosote 21.19%
    Wood 20.68%
    Green pepper 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    9.42 (weak base)

    Molecular weight
    402.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Melting point expt.

    • < 25 °C

    Flash point

    • 180.09 ˚C est.

  • Synonyms

    • eta-Tocopherol
    • 7-Methyltocol
    • eta-Tocopherol [MI]
    • UNII-7NW19FA2G7
    • 91-86-1
    • 7NW19FA2G7
    • 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-ol
    • .ETA.-TOCOPHEROL
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-
    • J152.077F
    • .ETA.-TOCOPHEROL [MI]
    • RefChem:137976
    • ETA-TOCOPHEROL, (+-)-
    • .ETA.-TOCOPHEROL, (+-)-
    • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
    • eta-Tocopherol, (+/-)-
    • SCHEMBL2322421
    • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
    • DTXSID80871578
    • PZZKGQBMBVYPGR-UHFFFAOYSA-N
    • .ETA.-TOCOPHEROL, (+/-)-
    • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
    • Q27268631
    • 91-86-1

  • Applications

    eta-Tocopherol (CAS 91-86-1) functions primarily as a lipophilic antioxidant and vitamin E supplement; common applications include cosmetics and personal care as an antioxidant and skin-conditioning ingredient; in food processing and nutraceuticals as a dietary supplement and fat/oil stabilizer; in agriculture as a feed additive providing vitamin E; in polymers and plastics as a stabilizer to retard oxidative degradation; and in coatings and inks as an antioxidant additive to improve shelf life and color stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 555.01
    methanol 232.38
    isopropanol 413.31
    water 0.08
    ethyl acetate 969.37
    n-propanol 562.45
    acetone 521.38
    n-butanol 579.76
    acetonitrile 140.6
    DMF 272.09
    toluene 432.7
    isobutanol 388.06
    1,4-dioxane 1299.64
    methyl acetate 518.42
    THF 2370.86
    2-butanone 752.08
    n-pentanol 433.78
    sec-butanol 479.55
    n-hexane 80.87
    ethylene glycol 5.32
    NMP 308.42
    cyclohexane 187.13
    DMSO 232.35
    n-butyl acetate 1050.58
    n-octanol 249.2
    chloroform 1520.62
    n-propyl acetate 907.91
    acetic acid 172.83
    dichloromethane 1437.39
    cyclohexanone 1063.29
    propylene glycol 25.05
    isopropyl acetate 769.99
    DMAc 548.22
    2-ethoxyethanol 578.74
    isopentanol 513.97
    n-heptane 85.67
    ethyl formate 327.87
    1,2-dichloroethane 844.66
    n-hexanol 447.81
    2-methoxyethanol 487.82
    isobutyl acetate 712.31
    tetrachloromethane 263.34
    n-pentyl acetate 924.9
    transcutol 2417.31
    n-heptanol 289.12
    ethylbenzene 246.17
    MIBK 542.17
    2-propoxyethanol 741.92
    tert-butanol 395.71
    MTBE 1176.65
    2-butoxyethanol 576.07
    propionic acid 207.39
    o-xylene 242.12
    formic acid 23.26
    diethyl ether 1155.87
    m-xylene 276.91
    p-xylene 322.18
    chlorobenzene 514.41
    dimethyl carbonate 120.62
    n-octane 34.34
    formamide 54.16
    cyclopentanone 761.98
    2-pentanone 764.04
    anisole 541.18
    cyclopentyl methyl ether 889.72
    gamma-butyrolactone 721.18
    1-methoxy-2-propanol 461.86
    pyridine 714.42
    3-pentanone 526.39
    furfural 513.22
    n-dodecane 20.4
    diethylene glycol 169.37
    diisopropyl ether 312.53
    tert-amyl alcohol 511.76
    acetylacetone 620.22
    n-hexadecane 24.78
    acetophenone 450.27
    methyl propionate 486.06
    isopentyl acetate 1044.07
    trichloroethylene 1232.78
    n-nonanol 252.47
    cyclohexanol 463.14
    benzyl alcohol 309.31
    2-ethylhexanol 379.95
    isooctanol 303.86
    dipropyl ether 750.23
    1,2-dichlorobenzene 440.67
    ethyl lactate 195.1
    propylene carbonate 487.97
    n-methylformamide 145.46
    2-pentanol 386.06
    n-pentane 62.46
    1-propoxy-2-propanol 677.25
    1-methoxy-2-propyl acetate 860.85
    2-(2-methoxypropoxy) propanol 453.44
    mesitylene 181.43
    ε-caprolactone 1098.76
    p-cymene 190.45
    epichlorohydrin 1213.48
    1,1,1-trichloroethane 801.47
    2-aminoethanol 48.81
    morpholine-4-carbaldehyde 566.51
    sulfolane 534.48
    2,2,4-trimethylpentane 59.43
    2-methyltetrahydrofuran 1663.57
    n-hexyl acetate 863.85
    isooctane 42.65
    2-(2-butoxyethoxy)ethanol 697.53
    sec-butyl acetate 725.75
    tert-butyl acetate 829.44
    decalin 81.44
    glycerin 31.39
    diglyme 1507.97
    acrylic acid 88.93
    isopropyl myristate 301.26
    n-butyric acid 651.64
    acetyl acetate 421.45
    di(2-ethylhexyl) phthalate 221.98
    ethyl propionate 650.71
    nitromethane 308.21
    1,2-diethoxyethane 1426.84
    benzonitrile 337.82
    trioctyl phosphate 164.79
    1-bromopropane 712.84
    gamma-valerolactone 1317.69
    n-decanol 168.56
    triethyl phosphate 277.5
    4-methyl-2-pentanol 253.92
    propionitrile 230.26
    vinylene carbonate 388.14
    1,1,2-trichlorotrifluoroethane 431.1
    DMS 338.25
    cumene 182.22
    2-octanol 233.59
    2-hexanone 736.78
    octyl acetate 362.03
    limonene 304.73
    1,2-dimethoxyethane 1183.49
    ethyl orthosilicate 338.86
    tributyl phosphate 206.14
    diacetone alcohol 512.73
    N,N-dimethylaniline 299.76
    acrylonitrile 156.4
    aniline 348.08
    1,3-propanediol 193.9
    bromobenzene 587.91
    dibromomethane 883.26
    1,1,2,2-tetrachloroethane 1040.84
    2-methyl-cyclohexyl acetate 580.19
    tetrabutyl urea 248.63
    diisobutyl methanol 238.54
    2-phenylethanol 395.22
    styrene 288.53
    dioctyl adipate 394.86
    dimethyl sulfate 137.27
    ethyl butyrate 799.3
    methyl lactate 110.63
    butyl lactate 416.74
    diethyl carbonate 413.31
    propanediol butyl ether 294.31
    triethyl orthoformate 604.25
    p-tert-butyltoluene 188.22
    methyl 4-tert-butylbenzoate 430.53
    morpholine 1586.6
    tert-butylamine 272.2
    n-dodecanol 116.87
    dimethoxymethane 586.04
    ethylene carbonate 436.29
    cyrene 304.03
    2-ethoxyethyl acetate 1039.16
    2-ethylhexyl acetate 854.26
    1,2,4-trichlorobenzene 488.11
    4-methylpyridine 806.39
    dibutyl ether 646.18
    2,6-dimethyl-4-heptanol 238.54
    DEF 616.14
    dimethyl isosorbide 830.1
    tetrachloroethylene 621.07
    eugenol 369.65
    triacetin 602.47
    span 80 395.23
    1,4-butanediol 68.26
    1,1-dichloroethane 763.38
    2-methyl-1-pentanol 457.8
    methyl formate 102.98
    2-methyl-1-butanol 486.82
    n-decane 49.16
    butyronitrile 405.07
    3,7-dimethyl-1-octanol 304.11
    1-chlorooctane 236.68
    1-chlorotetradecane 72.63
    n-nonane 45.16
    undecane 29.4
    tert-butylcyclohexane 76.95
    cyclooctane 58.49
    cyclopentanol 339.67
    tetrahydropyran 2051.06
    tert-amyl methyl ether 663.84
    2,5,8-trioxanonane 811.24
    1-hexene 304.61
    2-isopropoxyethanol 522.0
    2,2,2-trifluoroethanol 50.55
    methyl butyrate 827.15

    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