Delta-Tocotrienol

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  • Identifiers

    CAS number
    25612-59-3

    Molecular formula
    C27H40O2

    SMILES
    CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.06%
    Fruity 52.21%
    Woody 43.69%
    Balsamic 39.96%
    Sweet 39.27%
    Waxy 31.86%
    Powdery 31.81%
    Spicy 30.67%
    Rose 27.92%
    Fresh 27.76%

     

    Flavor
    Woody 41.75%
    Wood 36.81%
    Balsam 30.56%
    Floral 28.67%
    Spice 28.01%
    Spicy 24.6%
    Fresh 24.18%
    Balsamic 24.13%
    Flower 23.94%
    Diterpene 22.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    9.64 (weak base)

    Molecular weight
    396.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    568°C

    Flash point

    • 179.96 ˚C est.

  • Synonyms

    • delta-Tocotrienol
    • 25612-59-3
    • Tocotrienol, delta
    • 1SRB74OWSI
    • DTXSID30180288
    • (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
    • J17.358D
    • CHEBI:33276
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-
    • 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-
    • 2R,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
    • (2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-
    • 2R,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-ol
    • DELTA TOCOTRIENOL
    • RefChem:585693
    • DTXCID40102779
    • 607-758-7
    • 8-Methyltocotrienol
    • D-DELTA-TOCOTRIENOL
    • .delta.-Tocotrienol
    • (R)-delta-Tocotrienol
    • (R)-2,8-Dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol
    • (R)-.delta.-Tocotrienol
    • (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
    • (R-(E,E))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
    • 2H-1-benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-
    • UNII-1SRB74OWSI
    • Delta-tocotrienols
    • (R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]chroman-6-ol
    • delta -Tocotrienol
    • 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENYL)-, (2R)-
    • C27H40O2
    • R-delta-tocotrienol
    • MFCD11045309
    • BIDD:PXR0041
    • CHEMBL121305
    • orb1297642
    • SCHEMBL8408117
    • MSK1566
    • HMS3650C18
    • DELTA TOCOTRIENOL [WHO-DD]
    • LMPR02020056
    • delta-Tocotrienol, analytical standard
    • AKOS040760094
    • EBC-616868
    • HY-122778R
    • NCGC00253541-03
    • AS-82630
    • FT138269
    • SY345508
    • HY-122778
    • CS-0089253
    • NS00027923
    • G13725
    • SR-01000946270
    • SR-01000946270-1
    • BRD-K85776940-001-01-9
    • Q27104272
    • 2,8-Dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-6-chromanol
    • 6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-
    • D-|A-Tocotrienol; |A-Tocotrienol; (R)-|A-Tocotrienol; 8-Methyltocotrienol
    • (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
    • 6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)- (7CI,8CI)
    • (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)
    • 3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol, 9CI
    • 25612-59-3

  • Applications

    Delta-Tocotrienol (CAS 25612-59-3) is a natural vitamin E analog valued for antioxidant activity and is used as an ingredient or additive across several industries. In cosmetics and personal care, it functions as an antioxidant and skin-conditioning component in creams, serums, and sun-care formulations. In food processing and nutraceuticals, it serves as a vitamin E-rich ingredient or dietary supplement. In agriculture and animal nutrition, it is included as a vitamin E supplement in feeds to support nutrition and product stability. In polymers and coatings, it is employed as an antioxidant stabilizer to improve the oxidative resistance and longevity of plastics, paints, and inks. In pharmaceutical/nutraceutical formulations, it is evaluated as a nutraceutical ingredient, subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.67
    methanol 13.19
    isopropanol 18.33
    water 0.01
    ethyl acetate 98.96
    n-propanol 35.89
    acetone 32.74
    n-butanol 51.0
    acetonitrile 10.84
    DMF 26.82
    toluene 97.07
    isobutanol 29.07
    1,4-dioxane 154.84
    methyl acetate 49.4
    THF 301.75
    2-butanone 87.04
    n-pentanol 59.57
    sec-butanol 38.65
    n-hexane 16.37
    ethylene glycol 0.4
    NMP 51.36
    cyclohexane 21.82
    DMSO 27.81
    n-butyl acetate 147.48
    n-octanol 43.72
    chloroform 342.6
    n-propyl acetate 107.49
    acetic acid 17.04
    dichloromethane 259.39
    cyclohexanone 137.95
    propylene glycol 1.93
    isopropyl acetate 85.63
    DMAc 116.4
    2-ethoxyethanol 72.04
    isopentanol 56.3
    n-heptane 15.89
    ethyl formate 26.75
    1,2-dichloroethane 119.25
    n-hexanol 69.92
    2-methoxyethanol 39.55
    isobutyl acetate 103.04
    tetrachloromethane 35.04
    n-pentyl acetate 135.95
    transcutol 426.06
    n-heptanol 50.13
    ethylbenzene 70.84
    MIBK 76.12
    2-propoxyethanol 119.62
    tert-butanol 29.0
    MTBE 124.81
    2-butoxyethanol 99.95
    propionic acid 17.78
    o-xylene 54.08
    formic acid 2.67
    diethyl ether 136.0
    m-xylene 61.86
    p-xylene 76.95
    chlorobenzene 95.68
    dimethyl carbonate 16.37
    n-octane 6.15
    formamide 4.82
    cyclopentanone 96.52
    2-pentanone 84.11
    anisole 131.45
    cyclopentyl methyl ether 128.56
    gamma-butyrolactone 77.18
    1-methoxy-2-propanol 45.71
    pyridine 111.73
    3-pentanone 79.48
    furfural 70.6
    n-dodecane 4.65
    diethylene glycol 23.11
    diisopropyl ether 41.93
    tert-amyl alcohol 53.73
    acetylacetone 72.35
    n-hexadecane 5.59
    acetophenone 102.89
    methyl propionate 55.81
    isopentyl acetate 164.44
    trichloroethylene 240.43
    n-nonanol 52.34
    cyclohexanol 49.09
    benzyl alcohol 56.93
    2-ethylhexanol 74.31
    isooctanol 52.64
    dipropyl ether 127.91
    1,2-dichlorobenzene 94.4
    ethyl lactate 31.06
    propylene carbonate 57.99
    n-methylformamide 9.58
    2-pentanol 36.22
    n-pentane 8.99
    1-propoxy-2-propanol 101.43
    1-methoxy-2-propyl acetate 145.75
    2-(2-methoxypropoxy) propanol 128.43
    mesitylene 37.24
    ε-caprolactone 153.41
    p-cymene 47.65
    epichlorohydrin 170.67
    1,1,1-trichloroethane 127.32
    2-aminoethanol 3.47
    morpholine-4-carbaldehyde 97.11
    sulfolane 78.41
    2,2,4-trimethylpentane 10.7
    2-methyltetrahydrofuran 214.32
    n-hexyl acetate 160.27
    isooctane 6.9
    2-(2-butoxyethoxy)ethanol 160.4
    sec-butyl acetate 106.54
    tert-butyl acetate 102.35
    decalin 17.65
    glycerin 3.37
    diglyme 315.81
    acrylic acid 9.94
    isopropyl myristate 68.96
    n-butyric acid 57.07
    acetyl acetate 48.49
    di(2-ethylhexyl) phthalate 63.55
    ethyl propionate 90.81
    nitromethane 27.35
    1,2-diethoxyethane 241.87
    benzonitrile 48.45
    trioctyl phosphate 37.99
    1-bromopropane 128.06
    gamma-valerolactone 161.7
    n-decanol 35.96
    triethyl phosphate 65.2
    4-methyl-2-pentanol 32.78
    propionitrile 23.87
    vinylene carbonate 52.06
    1,1,2-trichlorotrifluoroethane 69.37
    DMS 64.01
    cumene 50.79
    2-octanol 35.32
    2-hexanone 115.45
    octyl acetate 78.73
    limonene 65.7
    1,2-dimethoxyethane 180.1
    ethyl orthosilicate 85.13
    tributyl phosphate 47.27
    diacetone alcohol 65.86
    N,N-dimethylaniline 91.96
    acrylonitrile 16.77
    aniline 52.12
    1,3-propanediol 12.78
    bromobenzene 123.8
    dibromomethane 167.85
    1,1,2,2-tetrachloroethane 207.35
    2-methyl-cyclohexyl acetate 136.62
    tetrabutyl urea 64.85
    diisobutyl methanol 41.83
    2-phenylethanol 85.95
    styrene 73.69
    dioctyl adipate 100.75
    dimethyl sulfate 23.18
    ethyl butyrate 126.61
    methyl lactate 14.02
    butyl lactate 69.21
    diethyl carbonate 68.95
    propanediol butyl ether 51.44
    triethyl orthoformate 127.38
    p-tert-butyltoluene 44.69
    methyl 4-tert-butylbenzoate 116.59
    morpholine 163.1
    tert-butylamine 22.06
    n-dodecanol 25.44
    dimethoxymethane 62.67
    ethylene carbonate 49.7
    cyrene 86.26
    2-ethoxyethyl acetate 173.65
    2-ethylhexyl acetate 157.97
    1,2,4-trichlorobenzene 111.08
    4-methylpyridine 125.09
    dibutyl ether 118.14
    2,6-dimethyl-4-heptanol 41.83
    DEF 82.36
    dimethyl isosorbide 234.04
    tetrachloroethylene 111.51
    eugenol 98.81
    triacetin 130.05
    span 80 101.6
    1,4-butanediol 6.62
    1,1-dichloroethane 101.26
    2-methyl-1-pentanol 82.58
    methyl formate 7.65
    2-methyl-1-butanol 59.66
    n-decane 10.53
    butyronitrile 39.67
    3,7-dimethyl-1-octanol 60.26
    1-chlorooctane 49.56
    1-chlorotetradecane 17.45
    n-nonane 8.79
    undecane 6.59
    tert-butylcyclohexane 17.2
    cyclooctane 9.43
    cyclopentanol 27.14
    tetrahydropyran 241.34
    tert-amyl methyl ether 107.33
    2,5,8-trioxanonane 206.86
    1-hexene 62.24
    2-isopropoxyethanol 77.35
    2,2,2-trifluoroethanol 5.33
    methyl butyrate 106.86

    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