Tocopheryl Nicotinate

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  • Identifiers

    CAS number
    43119-47-7

    Molecular formula
    C35H53NO3

    SMILES
    CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C3=CN=CC=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 44.1%
    Woody 32.64%
    Animal 32.46%
    Balsamic 30.87%
    Musk 27.85%
    Waxy 27.65%
    Powdery 27.33%
    Dry 27.13%
    Spicy 26.72%
    Amber 26.22%

     

    Flavor
    Woody 33.56%
    Herbal 31.38%
    Bland 24.87%
    Spice 24.6%
    Mild 22.44%
    Bitter 21.54%
    Thymol 20.17%
    Parsley 19.92%
    Cedarleaf 19.91%
    Green pepper 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    535.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    783°C

    Flash point

    • 200.01 ˚C est.

  • Synonyms

    • Vitamin E Nicotinate
    • 43119-47-7
    • Renascin
    • TOCOPHERYL NICOTINATE
    • Vitamin E nicotinic acid ester
    • WI1J5UCY5C
    • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] pyridine-3-carboxylate
    • ((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl) pyridine-3-carboxylate
    • Tocoferil nicotinate
    • RefChem:898538
    • tocopherol nicotinate
    • 51898-34-1
    • (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl nicotinate
    • 16676-75-8
    • DL-alpha tocopheryl nicotinate
    • dl-alpha-Tocopherol nicotinate
    • DL-alpha-Tocopheryl Nicotinate
    • Alpha-tocopheryl nicotinate
    • (+/-)-alpha-Tocopherol nicotinate
    • ( inverted exclamation markA)-|A-Tocopherol nicotinate
    • Tocopherol nicotinate [JAN]
    • D-alpha tocopheryl nicotinate
    • QCP2FMP7I8
    • C35H53NO3
    • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
    • 3-Pyridinecarboxylic acid, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester
    • CHEMBL1084541
    • DTXSID1046396
    • rel-(R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl nicotinate
    • (2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate
    • NCGC00164499-01
    • NCGC00164499-03
    • MFCD03548047
    • DTXCID9026396
    • Juvela nicotinate
    • Kentons
    • (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate
    • 3-Pyridinecarboxylic acid, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
    • CAS-43119-47-7
    • EINECS 256-101-7
    • UNII-QCP2FMP7I8
    • UNII-WI1J5UCY5C
    • Alpha-Tocophenyl nicotinate
    • BRN 0466142
    • alpha-Tocopherol nicotinate, DL-
    • (R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl Nicotinate
    • (2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-yl pyri dine-3-carboxylate
    • 3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, (2R-(2R*(4R*,8R*)))-
    • D-ALPHA-TOCOPHERYL NICOTINATE
    • EINECS 257-501-4
    • Juvela nicotinate (TN)
    • Tocopherol Nicotinate RS
    • ()--Tocopherol nicotinate
    • alpha-toco-pherol nicotinate
    • SCHEMBL42668
    • Tocopherol nicotinate (JP18)
    • orb1705644
    • SCHEMBL29356548
    • CHEBI:32239
    • HY-B0757A
    • DTXSID401019802
    • HY-B0757
    • Tox21_112137
    • BDBM50318914
    • MFCD00057302
    • SBB058193
    • TOCOFERIL NICOTINATE [MART.]
    • (+/-)- alpha -Tocopherol nicotinate
    • AKOS015896058
    • TOCOPHERYL NICOTINATE [WHO-DD]
    • Tox21_112137_1
    • AC-6859
    • DL-.ALPHA.-TOCOPHERYL NICOTINATE
    • NCGC00164499-02
    • TOCOPHERYL NICOTINATE, D-.ALPHA.
    • (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate
    • (2R-(2R*(4R*,8R*)))-3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
    • 3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1- -benzopyran-6-yl ester
    • AS-15224
    • SY428076
    • .ALPHA.-TOCOPHEROL NICOTINATE, D-
    • .ALPHA.-TOCOPHEROL NICOTINATE, DL-
    • J299.341D
    • TOCOPHERYL NICOTINATE, DL-.ALPHA.-
    • CS-0144088
    • NS00020307
    • ST51015145
    • D01530
    • E80396
    • 676V758
    • DL-.ALPHA.-TOCOPHEROL NICOTINIC ACID ESTER
    • F987356
    • SR-01000944628
    • SR-01000944628-2
    • Q27114834
    • 3-PYRIDINECARBOXYLIC ACID, 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-YL ESTER, (2R*(4R*,8R*))-(+/-)-
    • rel-(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl 3-pyridinecarboxylate
    • 43119-47-7

  • Applications

    Tocopheryl nicotinate is used primarily in cosmetics and personal care as an emollient, antioxidant, and conditioning ingredient, formulated in creams, lotions, and facial oils to increase softness and protect the skin. In dermocosmetic and topical pharmaceutical formulations, it can serve as a source of tocopherol and nicotinate, functioning as an active ingredient or excipient to deliver vitamin E and niacin to the skin. It can also act as a stabilizer and antioxidant in emulsions and other formulations, helping to protect sensitive components from oxidative degradation. Its lipophilic ester structure makes it usable as a carrier or intermediate in certain product systems, though the scope of use and regulatory acceptance vary by region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.16
    methanol 33.06
    isopropanol 35.2
    water 0.1
    ethyl acetate 163.47
    n-propanol 80.92
    acetone 102.62
    n-butanol 85.8
    acetonitrile 39.11
    DMF 72.92
    toluene 236.28
    isobutanol 70.16
    1,4-dioxane 192.29
    methyl acetate 116.9
    THF 375.32
    2-butanone 207.78
    n-pentanol 103.54
    sec-butanol 85.49
    n-hexane 14.7
    ethylene glycol 1.9
    NMP 224.1
    cyclohexane 26.06
    DMSO 53.64
    n-butyl acetate 164.19
    n-octanol 48.23
    chloroform 774.1
    n-propyl acetate 162.5
    acetic acid 82.56
    dichloromethane 688.77
    cyclohexanone 396.3
    propylene glycol 7.07
    isopropyl acetate 123.29
    DMAc 222.14
    2-ethoxyethanol 112.2
    isopentanol 85.27
    n-heptane 10.6
    ethyl formate 83.82
    1,2-dichloroethane 339.17
    n-hexanol 70.47
    2-methoxyethanol 72.59
    isobutyl acetate 134.09
    tetrachloromethane 128.26
    n-pentyl acetate 220.72
    transcutol 291.8
    n-heptanol 69.39
    ethylbenzene 108.09
    MIBK 114.14
    2-propoxyethanol 124.66
    tert-butanol 38.4
    MTBE 105.19
    2-butoxyethanol 139.51
    propionic acid 78.69
    o-xylene 118.08
    formic acid 17.59
    diethyl ether 114.31
    m-xylene 122.56
    p-xylene 139.12
    chlorobenzene 312.53
    dimethyl carbonate 48.48
    n-octane 5.37
    formamide 27.49
    cyclopentanone 302.83
    2-pentanone 170.67
    anisole 152.98
    cyclopentyl methyl ether 211.27
    gamma-butyrolactone 286.91
    1-methoxy-2-propanol 66.21
    pyridine 345.85
    3-pentanone 161.78
    furfural 243.67
    n-dodecane 3.46
    diethylene glycol 31.95
    diisopropyl ether 36.01
    tert-amyl alcohol 81.54
    acetylacetone 156.08
    n-hexadecane 4.12
    acetophenone 170.76
    methyl propionate 132.03
    isopentyl acetate 172.62
    trichloroethylene 714.25
    n-nonanol 52.54
    cyclohexanol 128.42
    benzyl alcohol 132.61
    2-ethylhexanol 65.1
    isooctanol 69.81
    dipropyl ether 71.49
    1,2-dichlorobenzene 258.76
    ethyl lactate 53.8
    propylene carbonate 173.16
    n-methylformamide 49.12
    2-pentanol 62.31
    n-pentane 11.35
    1-propoxy-2-propanol 98.88
    1-methoxy-2-propyl acetate 148.83
    2-(2-methoxypropoxy) propanol 101.3
    mesitylene 61.79
    ε-caprolactone 365.44
    p-cymene 55.42
    epichlorohydrin 447.3
    1,1,1-trichloroethane 370.23
    2-aminoethanol 12.86
    morpholine-4-carbaldehyde 194.56
    sulfolane 236.43
    2,2,4-trimethylpentane 12.0
    2-methyltetrahydrofuran 331.34
    n-hexyl acetate 182.48
    isooctane 5.9
    2-(2-butoxyethoxy)ethanol 135.07
    sec-butyl acetate 128.52
    tert-butyl acetate 128.17
    decalin 17.95
    glycerin 9.42
    diglyme 248.11
    acrylic acid 57.18
    isopropyl myristate 56.75
    n-butyric acid 160.69
    acetyl acetate 98.43
    di(2-ethylhexyl) phthalate 77.78
    ethyl propionate 124.5
    nitromethane 117.07
    1,2-diethoxyethane 156.65
    benzonitrile 134.32
    trioctyl phosphate 46.56
    1-bromopropane 242.36
    gamma-valerolactone 446.82
    n-decanol 34.42
    triethyl phosphate 65.24
    4-methyl-2-pentanol 42.24
    propionitrile 73.51
    vinylene carbonate 174.92
    1,1,2-trichlorotrifluoroethane 206.65
    DMS 103.56
    cumene 63.86
    2-octanol 55.08
    2-hexanone 187.43
    octyl acetate 77.71
    limonene 71.9
    1,2-dimethoxyethane 172.86
    ethyl orthosilicate 74.3
    tributyl phosphate 53.84
    diacetone alcohol 104.87
    N,N-dimethylaniline 92.77
    acrylonitrile 65.89
    aniline 170.68
    1,3-propanediol 32.51
    bromobenzene 361.8
    dibromomethane 438.25
    1,1,2,2-tetrachloroethane 538.05
    2-methyl-cyclohexyl acetate 134.26
    tetrabutyl urea 69.95
    diisobutyl methanol 34.56
    2-phenylethanol 130.12
    styrene 123.95
    dioctyl adipate 92.47
    dimethyl sulfate 73.24
    ethyl butyrate 124.14
    methyl lactate 39.7
    butyl lactate 114.91
    diethyl carbonate 73.9
    propanediol butyl ether 73.74
    triethyl orthoformate 107.22
    p-tert-butyltoluene 47.31
    methyl 4-tert-butylbenzoate 141.27
    morpholine 237.89
    tert-butylamine 26.13
    n-dodecanol 23.02
    dimethoxymethane 94.79
    ethylene carbonate 159.78
    cyrene 118.32
    2-ethoxyethyl acetate 256.98
    2-ethylhexyl acetate 161.77
    1,2,4-trichlorobenzene 320.36
    4-methylpyridine 358.54
    dibutyl ether 70.12
    2,6-dimethyl-4-heptanol 34.56
    DEF 157.41
    dimethyl isosorbide 192.32
    tetrachloroethylene 324.77
    eugenol 129.44
    triacetin 160.71
    span 80 105.78
    1,4-butanediol 20.7
    1,1-dichloroethane 310.98
    2-methyl-1-pentanol 124.49
    methyl formate 39.59
    2-methyl-1-butanol 107.59
    n-decane 7.59
    butyronitrile 89.1
    3,7-dimethyl-1-octanol 52.37
    1-chlorooctane 47.83
    1-chlorotetradecane 14.67
    n-nonane 6.51
    undecane 4.8
    tert-butylcyclohexane 13.87
    cyclooctane 9.69
    cyclopentanol 101.46
    tetrahydropyran 310.53
    tert-amyl methyl ether 105.49
    2,5,8-trioxanonane 139.24
    1-hexene 65.71
    2-isopropoxyethanol 104.43
    2,2,2-trifluoroethanol 34.5
    methyl butyrate 171.38

    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