3,4-Dihydro-2,5,7,8-tetramethyl-6-[[methylbis(9-octadecen-1-yloxy)silyl]oxy]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran

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  • Identifiers

    CAS number
    130986-04-8

    Molecular formula
    C66H122O4Si

    SMILES
    CCCCCCCCC=CCCCCCCCCO[Si](C)(OCCCCCCCCC=CCCCCCCCC)OC1=C(C2=C(C(=C1C)C)OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 60.24%
    Floral 41.1%
    Oily 40.89%
    Balsamic 38.16%
    Woody 35.08%
    Fruity 34.89%
    Fatty 34.86%
    Fresh 28.84%
    Sweet 28.1%
    Green 25.18%

     

    Flavor
    Bland 29.76%
    Waxy 29.63%
    Mild 28.14%
    Faint 25.62%
    Delicate 22.6%
    Slightly waxy 21.64%
    Diterpene 20.71%
    Low 20.28%
    Oriental 19.83%
    Bay oil 19.75%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -26.4 (strong acid)

    Molecular weight
    1007.8 g/mol

    Flash point

    • 3.72 ˚C est.

  • Synonyms

    • DTXSID901021866
    • 130986-04-8
    • 3,4-Dihydro-2,5,7,8-tetramethyl-6-[[methylbis(9-octadecen-1-yloxy)silyl]oxy]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran
    • 130986-04-8

  • Applications

    3,4-Dihydro-2,5,7,8-tetramethyl-6-[[methylbis(9-octadecen-1-yloxy)silyl]oxy]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran (CAS 130986-04-8) is a tocopherol-derived siloxane ester that serves primarily as an antioxidant and stabilizer. In practice, it may be used in cosmetics and personal care formulations to protect oils and sensitive components from oxidation; in plastics and polymers as a lipophilic antioxidant to extend lifetime and stabilize color; in coatings and inks as a silicone-compatible antioxidant additive; and in household products or industrial formulations to improve overall formulation stability and material durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.34
    methanol 17.76
    isopropanol 36.76
    water 0.13
    ethyl acetate 340.5
    n-propanol 69.2
    acetone 155.36
    n-butanol 81.48
    acetonitrile 40.81
    DMF 170.26
    toluene 348.32
    isobutanol 71.11
    1,4-dioxane 266.93
    methyl acetate 194.6
    THF 761.9
    2-butanone 311.52
    n-pentanol 103.99
    sec-butanol 92.53
    n-hexane 66.53
    ethylene glycol 2.42
    NMP 694.05
    cyclohexane 141.51
    DMSO 138.88
    n-butyl acetate 374.4
    n-octanol 126.57
    chloroform 1305.51
    n-propyl acetate 356.78
    acetic acid 102.26
    dichloromethane 1080.51
    cyclohexanone 814.29
    propylene glycol 9.69
    isopropyl acetate 311.15
    DMAc 463.38
    2-ethoxyethanol 125.33
    isopentanol 98.16
    n-heptane 73.59
    ethyl formate 127.76
    1,2-dichloroethane 532.95
    n-hexanol 102.6
    2-methoxyethanol 81.55
    isobutyl acetate 285.93
    tetrachloromethane 248.13
    n-pentyl acetate 573.9
    transcutol 405.76
    n-heptanol 129.58
    ethylbenzene 222.4
    MIBK 240.78
    2-propoxyethanol 170.7
    tert-butanol 55.63
    MTBE 202.15
    2-butoxyethanol 237.51
    propionic acid 113.45
    o-xylene 244.67
    formic acid 16.66
    diethyl ether 197.3
    m-xylene 241.45
    p-xylene 270.35
    chlorobenzene 518.75
    dimethyl carbonate 127.63
    n-octane 37.73
    formamide 28.15
    cyclopentanone 755.06
    2-pentanone 326.2
    anisole 292.54
    cyclopentyl methyl ether 566.83
    gamma-butyrolactone 730.62
    1-methoxy-2-propanol 108.68
    pyridine 456.65
    3-pentanone 339.59
    furfural 427.8
    n-dodecane 20.87
    diethylene glycol 41.56
    diisopropyl ether 130.06
    tert-amyl alcohol 122.93
    acetylacetone 344.92
    n-hexadecane 24.71
    acetophenone 343.44
    methyl propionate 290.51
    isopentyl acetate 377.83
    trichloroethylene 1211.67
    n-nonanol 137.11
    cyclohexanol 220.65
    benzyl alcohol 168.7
    2-ethylhexanol 143.74
    isooctanol 147.45
    dipropyl ether 251.72
    1,2-dichlorobenzene 509.21
    ethyl lactate 126.13
    propylene carbonate 468.03
    n-methylformamide 71.8
    2-pentanol 99.04
    n-pentane 51.7
    1-propoxy-2-propanol 201.62
    1-methoxy-2-propyl acetate 332.98
    2-(2-methoxypropoxy) propanol 199.47
    mesitylene 156.76
    ε-caprolactone 834.65
    p-cymene 154.4
    epichlorohydrin 766.02
    1,1,1-trichloroethane 766.39
    2-aminoethanol 12.88
    morpholine-4-carbaldehyde 407.62
    sulfolane 782.22
    2,2,4-trimethylpentane 54.43
    2-methyltetrahydrofuran 682.01
    n-hexyl acetate 500.86
    isooctane 28.72
    2-(2-butoxyethoxy)ethanol 225.21
    sec-butyl acetate 325.15
    tert-butyl acetate 352.78
    decalin 87.04
    glycerin 15.35
    diglyme 476.72
    acrylic acid 81.65
    isopropyl myristate 178.55
    n-butyric acid 269.86
    acetyl acetate 244.63
    di(2-ethylhexyl) phthalate 164.73
    ethyl propionate 333.93
    nitromethane 168.7
    1,2-diethoxyethane 300.11
    benzonitrile 195.55
    trioctyl phosphate 127.12
    1-bromopropane 459.99
    gamma-valerolactone 882.67
    n-decanol 90.31
    triethyl phosphate 208.22
    4-methyl-2-pentanol 80.49
    propionitrile 87.61
    vinylene carbonate 371.46
    1,1,2-trichlorotrifluoroethane 401.99
    DMS 269.21
    cumene 146.8
    2-octanol 136.42
    2-hexanone 343.9
    octyl acetate 220.08
    limonene 237.85
    1,2-dimethoxyethane 251.25
    ethyl orthosilicate 235.65
    tributyl phosphate 148.7
    diacetone alcohol 210.17
    N,N-dimethylaniline 213.86
    acrylonitrile 76.04
    aniline 213.0
    1,3-propanediol 32.77
    bromobenzene 668.08
    dibromomethane 750.21
    1,1,2,2-tetrachloroethane 1065.93
    2-methyl-cyclohexyl acetate 368.26
    tetrabutyl urea 198.61
    diisobutyl methanol 102.75
    2-phenylethanol 180.84
    styrene 242.83
    dioctyl adipate 257.52
    dimethyl sulfate 229.41
    ethyl butyrate 354.58
    methyl lactate 97.83
    butyl lactate 307.86
    diethyl carbonate 206.17
    propanediol butyl ether 144.64
    triethyl orthoformate 331.0
    p-tert-butyltoluene 147.43
    methyl 4-tert-butylbenzoate 357.57
    morpholine 340.96
    tert-butylamine 48.71
    n-dodecanol 63.27
    dimethoxymethane 188.95
    ethylene carbonate 363.08
    cyrene 262.57
    2-ethoxyethyl acetate 502.61
    2-ethylhexyl acetate 397.82
    1,2,4-trichlorobenzene 619.47
    4-methylpyridine 492.3
    dibutyl ether 253.64
    2,6-dimethyl-4-heptanol 102.75
    DEF 364.93
    dimethyl isosorbide 450.63
    tetrachloroethylene 565.43
    eugenol 245.02
    triacetin 422.28
    span 80 222.51
    1,4-butanediol 20.59
    1,1-dichloroethane 516.84
    2-methyl-1-pentanol 142.63
    methyl formate 65.01
    2-methyl-1-butanol 119.28
    n-decane 47.79
    butyronitrile 106.85
    3,7-dimethyl-1-octanol 131.91
    1-chlorooctane 185.43
    1-chlorotetradecane 60.62
    n-nonane 44.94
    undecane 29.42
    tert-butylcyclohexane 67.56
    cyclooctane 75.95
    cyclopentanol 186.73
    tetrahydropyran 564.3
    tert-amyl methyl ether 267.03
    2,5,8-trioxanonane 257.33
    1-hexene 165.71
    2-isopropoxyethanol 138.21
    2,2,2-trifluoroethanol 56.7
    methyl butyrate 409.51

    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