Delta-Tocopherol

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  • Identifiers

    CAS number
    119-13-1

    Molecular formula
    C27H46O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 41.73%
    Woody 39.17%
    Waxy 36.62%
    Spicy 35.5%
    Balsamic 32.93%
    Animal 30.21%
    Fruity 26.08%
    Sweet 25.54%
    Dry 25.24%
    Leathery 24.29%

     

    Flavor
    Woody 33.78%
    Spice 28.68%
    Mild 26.08%
    Herbal 22.36%
    Bland 22.21%
    Delicate 21.77%
    Thymol 21.48%
    Creosote 20.84%
    Wood 20.6%
    Green pepper 20.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    9.63 (weak base)

    Molecular weight
    402.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    531°C

    Melting point expt.

    • < 25 °C

    Flash point

    • 181.27 ˚C est.

  • Synonyms

    • delta-Tocopherol
    • (+)-delta-Tocopherol
    • 8-Methyltocol
    • 119-13-1
    • (R,R,R)-delta-Tocopherol
    • JU84X1II0N
    • (2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
    • (2R,4'R,8'R)-delta-Tocopherol
    • J5.309K
    • CHEBI:47772
    • (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
    • (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
    • (2R)-3,4-DIHYDRO-2,8-DIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL
    • (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
    • (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
    • RefChem:131691
    • RRR-DELTA-TOCOPHEROL
    • (2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
    • 204-299-0
    • 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
    • D-delta-TOCOPHEROL
    • .delta.-Tocopherol
    • DTXSID1046263
    • NCGC00160622-01
    • E309
    • (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
    • 251562-63-7
    • DTXCID9026263
    • d-tocopherol
    • delta-Vitamin E
    • MFCD20486794
    • delta-D-Tocopherol
    • (2R(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
    • CAS-119-13-1
    • Rel-(2R)-3,4-Dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
    • UNII-JU84X1II0N
    • (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
    • Vitamine E
    • (R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
    • EINECS 204-299-0
    • .delta.-Vitamin E
    • ()-delta-Tocopherol
    • (+)- delta -Tocopherol
    • bmse000547
    • Delta-Tocopherol (Standard)
    • DELTA-TOCOPHEROL, D-
    • SCHEMBL886921
    • RRR-.DELTA.-TOCOPHEROL
    • CHEMBL1451395
    • .DELTA.-TOCOPHEROL [MI]
    • MSK1547
    • DELTA-TOCOPHEROL [WHO-DD]
    • (+)-delta-Tocopherol, >=90%
    • Tox21_111941
    • D-d-Tocopherol (solution in hexane)
    • delta-Tocopherol, analytical standard
    • LMPR02020066
    • s6348
    • AKOS040758846
    • Tox21_111941_1
    • EBC-618353
    • FT28297
    • HY-113026R
    • NCGC00160622-02
    • NCGC00160622-03
    • NCGC00160622-04
    • BP-43187
    • HY-113026
    • CS-0059380
    • NS00015095
    • E80733
    • Q155751
    • BRD-K04657451-001-01-0
    • D94B2EA5-AEC1-47F2-94D1-A1F978E6C436
    • RRR-.ALPHA.-TOCOPHEROL IMPURITY A [EP IMPURITY]
    • 8-Methyltocol; (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
    • 119-13-1

  • Applications

    Delta-Tocopherol (CAS 119-13-1) is a lipid-soluble form of tocopherol and a common antioxidant used to improve shelf life. In foods and edible oils, it acts as a lipid-soluble antioxidant and a source of vitamin E to enhance stability and shelf life; in cosmetics and personal care, it serves as an antioxidant and vitamin E supplement in formulations; in polymers and plastics, it functions as an oxidation stabilizer during processing and use; in animal feeds, it is added as a vitamin E source; and in coatings and inks, it contributes to the oxidation stability of the system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 735.99
    methanol 286.76
    isopropanol 631.53
    water 0.1
    ethyl acetate 1120.9
    n-propanol 788.52
    acetone 809.63
    n-butanol 777.59
    acetonitrile 192.13
    DMF 461.23
    toluene 504.65
    isobutanol 581.55
    1,4-dioxane 1510.55
    methyl acetate 676.72
    THF 3012.46
    2-butanone 991.12
    n-pentanol 534.92
    sec-butanol 642.01
    n-hexane 111.2
    ethylene glycol 8.35
    NMP 480.63
    cyclohexane 243.11
    DMSO 345.47
    n-butyl acetate 1178.87
    n-octanol 329.01
    chloroform 1774.45
    n-propyl acetate 1041.47
    acetic acid 232.84
    dichloromethane 1641.82
    cyclohexanone 1399.61
    propylene glycol 37.93
    isopropyl acetate 949.88
    DMAc 755.68
    2-ethoxyethanol 672.78
    isopentanol 672.91
    n-heptane 106.49
    ethyl formate 417.87
    1,2-dichloroethane 1045.54
    n-hexanol 549.36
    2-methoxyethanol 592.19
    isobutyl acetate 883.73
    tetrachloromethane 331.6
    n-pentyl acetate 1127.68
    transcutol 2550.53
    n-heptanol 369.38
    ethylbenzene 273.08
    MIBK 714.78
    2-propoxyethanol 884.26
    tert-butanol 560.69
    MTBE 1456.15
    2-butoxyethanol 695.09
    propionic acid 278.67
    o-xylene 285.23
    formic acid 30.71
    diethyl ether 1457.39
    m-xylene 329.7
    p-xylene 374.36
    chlorobenzene 618.93
    dimethyl carbonate 168.91
    n-octane 45.65
    formamide 65.96
    cyclopentanone 1127.83
    2-pentanone 963.16
    anisole 586.43
    cyclopentyl methyl ether 1141.77
    gamma-butyrolactone 996.32
    1-methoxy-2-propanol 584.53
    pyridine 829.57
    3-pentanone 690.17
    furfural 650.96
    n-dodecane 26.56
    diethylene glycol 222.74
    diisopropyl ether 410.76
    tert-amyl alcohol 649.28
    acetylacetone 825.52
    n-hexadecane 32.22
    acetophenone 501.19
    methyl propionate 613.72
    isopentyl acetate 1205.3
    trichloroethylene 1501.68
    n-nonanol 320.64
    cyclohexanol 624.45
    benzyl alcohol 351.39
    2-ethylhexanol 448.32
    isooctanol 382.99
    dipropyl ether 854.02
    1,2-dichlorobenzene 526.27
    ethyl lactate 245.19
    propylene carbonate 599.39
    n-methylformamide 217.54
    2-pentanol 510.54
    n-pentane 90.28
    1-propoxy-2-propanol 792.21
    1-methoxy-2-propyl acetate 976.55
    2-(2-methoxypropoxy) propanol 497.26
    mesitylene 227.62
    ε-caprolactone 1340.5
    p-cymene 219.02
    epichlorohydrin 1515.76
    1,1,1-trichloroethane 1055.46
    2-aminoethanol 69.84
    morpholine-4-carbaldehyde 745.95
    sulfolane 771.96
    2,2,4-trimethylpentane 77.98
    2-methyltetrahydrofuran 2032.68
    n-hexyl acetate 1062.51
    isooctane 57.16
    2-(2-butoxyethoxy)ethanol 757.49
    sec-butyl acetate 835.63
    tert-butyl acetate 1017.53
    decalin 97.12
    glycerin 45.92
    diglyme 1617.21
    acrylic acid 122.17
    isopropyl myristate 360.53
    n-butyric acid 816.95
    acetyl acetate 491.54
    di(2-ethylhexyl) phthalate 260.63
    ethyl propionate 741.5
    nitromethane 418.81
    1,2-diethoxyethane 1538.24
    benzonitrile 396.52
    trioctyl phosphate 205.84
    1-bromopropane 897.11
    gamma-valerolactone 1678.08
    n-decanol 213.5
    triethyl phosphate 302.02
    4-methyl-2-pentanol 341.9
    propionitrile 323.65
    vinylene carbonate 481.9
    1,1,2-trichlorotrifluoroethane 549.89
    DMS 451.92
    cumene 201.42
    2-octanol 308.7
    2-hexanone 871.62
    octyl acetate 445.16
    limonene 355.82
    1,2-dimethoxyethane 1319.72
    ethyl orthosilicate 355.26
    tributyl phosphate 246.0
    diacetone alcohol 666.16
    N,N-dimethylaniline 332.1
    acrylonitrile 216.63
    aniline 418.45
    1,3-propanediol 264.62
    bromobenzene 688.44
    dibromomethane 1061.98
    1,1,2,2-tetrachloroethane 1309.14
    2-methyl-cyclohexyl acetate 626.8
    tetrabutyl urea 304.03
    diisobutyl methanol 286.07
    2-phenylethanol 442.68
    styrene 316.46
    dioctyl adipate 446.11
    dimethyl sulfate 205.75
    ethyl butyrate 852.78
    methyl lactate 158.14
    butyl lactate 536.06
    diethyl carbonate 450.42
    propanediol butyl ether 398.76
    triethyl orthoformate 647.11
    p-tert-butyltoluene 217.26
    methyl 4-tert-butylbenzoate 502.01
    morpholine 1759.92
    tert-butylamine 398.41
    n-dodecanol 147.84
    dimethoxymethane 798.61
    ethylene carbonate 555.76
    cyrene 358.39
    2-ethoxyethyl acetate 1228.31
    2-ethylhexyl acetate 961.85
    1,2,4-trichlorobenzene 594.48
    4-methylpyridine 942.03
    dibutyl ether 758.46
    2,6-dimethyl-4-heptanol 286.07
    DEF 806.13
    dimethyl isosorbide 909.93
    tetrachloroethylene 766.31
    eugenol 420.53
    triacetin 744.87
    span 80 446.05
    1,4-butanediol 98.55
    1,1-dichloroethane 997.79
    2-methyl-1-pentanol 563.32
    methyl formate 155.27
    2-methyl-1-butanol 644.43
    n-decane 64.73
    butyronitrile 547.46
    3,7-dimethyl-1-octanol 378.77
    1-chlorooctane 305.18
    1-chlorotetradecane 93.15
    n-nonane 60.85
    undecane 38.57
    tert-butylcyclohexane 91.95
    cyclooctane 76.71
    cyclopentanol 512.74
    tetrahydropyran 2446.14
    tert-amyl methyl ether 840.25
    2,5,8-trioxanonane 834.12
    1-hexene 378.2
    2-isopropoxyethanol 634.22
    2,2,2-trifluoroethanol 72.8
    methyl butyrate 950.49

    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