9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-

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  • Identifiers

    CAS number
    36148-84-2

    Molecular formula
    C47H80O3

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1=C(C2=C(C(=C1C)C)O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 57.79%
    Floral 44.04%
    Oily 40.1%
    Balsamic 38.63%
    Woody 37.03%
    Fatty 35.13%
    Sweet 28.72%
    Odorless 27.13%
    Fruity 26.61%
    Spicy 24.16%

     

    Flavor
    Woody 25.97%
    Bland 25.16%
    Faint 25.05%
    Mild 22.33%
    Herbal 22.27%
    Delicate 21.75%
    Diterpene 20.75%
    Slightly waxy 20.65%
    Low 20.32%
    Oriental 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.6

    pKa est.
    0.4 (strong acid)

    Molecular weight
    693.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    698°C

    Flash point

    • 163.61 ˚C est.

  • Synonyms

    • TOCOPHERYL LINOLEATE
    • Vitamin E linoleate
    • 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-
    • 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, rel-
    • RefChem:548835
    • 609-214-4
    • 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4R,8R)-4,8,12-trimethyltridecyl-2H-1-benzopyran-6-yl ester, rel-
    • 918-794-0
    • 36148-84-2
    • D-alpha-Tocopherol linoleate
    • 51744-92-4
    • G0N132Q0ED
    • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate
    • 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
    • 9,12-Octadecadienoic acid (Z,Z)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, (2R-(2R*(4R*,8R*)))
    • (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl (9Z,12Z)-octadeca-9,12-dienoate
    • alpha-Tocopheryl linoleate
    • UNII-G0N132Q0ED
    • DL-alpha tocopheryl linoleate
    • alpha-Tocopherol linoleate, d-
    • Linoleic acid, ester with alpha-Tocopherol
    • J1.853.418E
    • I+/--Tocopheryl linoleate
    • D-alpha tocopheryl linoleate
    • dl-alpha-Tocopherol linoleate
    • dl-alpha-Tocopheryl linoleate
    • SCHEMBL6746167
    • DTXSID6052037
    • OFUHPGMOWVHNPN-QWZFGMNQSA-N
    • DTXSID501314126
    • .ALPHA.-TOCOPHERYL LINOLEATE
    • D-.ALPHA.-TOCOPHEROL LINOLEATE
    • .ALPHA.-TOCOPHEROL LINOLEATE, D-
    • LINOLEIC ACID, ESTER WITH .ALPHA.-TOCOPHEROL
    • Q27278463
    • (9Z,12Z)-(R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl octadeca-9,12-dienoate
    • 9,12-Octadecadienoic acid (Z,Z)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, (2R*-(4R*,8R*))-(+-)-
    • 9,12-Octadecadienoic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1- -benzopyran-6-yl ester
    • 36148-84-2

  • Applications

    9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel- (CAS 36148-84-2) is used as a fragrance ingredient and odorant; acts as a fixative in perfumery; appears in cosmetics/personal care formulations as a fragrance ester; is encountered in household products such as air fresheners as a fragrance component; may serve as an intermediate in industrial manufacturing and fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.2
    methanol 11.49
    isopropanol 20.48
    water 0.03
    ethyl acetate 214.88
    n-propanol 44.19
    acetone 86.78
    n-butanol 54.16
    acetonitrile 25.07
    DMF 69.08
    toluene 237.96
    isobutanol 43.63
    1,4-dioxane 190.78
    methyl acetate 109.56
    THF 407.66
    2-butanone 187.05
    n-pentanol 70.09
    sec-butanol 59.53
    n-hexane 40.02
    ethylene glycol 0.79
    NMP 317.8
    cyclohexane 65.58
    DMSO 54.39
    n-butyl acetate 233.41
    n-octanol 68.59
    chloroform 685.24
    n-propyl acetate 209.98
    acetic acid 48.05
    dichloromethane 625.3
    cyclohexanone 465.36
    propylene glycol 3.39
    isopropyl acetate 180.55
    DMAc 251.71
    2-ethoxyethanol 77.98
    isopentanol 67.34
    n-heptane 29.06
    ethyl formate 63.84
    1,2-dichloroethane 324.47
    n-hexanol 66.57
    2-methoxyethanol 43.72
    isobutyl acetate 168.03
    tetrachloromethane 126.22
    n-pentyl acetate 347.02
    transcutol 349.02
    n-heptanol 76.27
    ethylbenzene 157.25
    MIBK 150.91
    2-propoxyethanol 112.76
    tert-butanol 31.64
    MTBE 131.62
    2-butoxyethanol 146.47
    propionic acid 55.95
    o-xylene 155.74
    formic acid 6.67
    diethyl ether 148.34
    m-xylene 143.57
    p-xylene 181.54
    chlorobenzene 326.66
    dimethyl carbonate 50.61
    n-octane 14.59
    formamide 12.2
    cyclopentanone 353.83
    2-pentanone 199.8
    anisole 205.33
    cyclopentyl methyl ether 300.9
    gamma-butyrolactone 320.69
    1-methoxy-2-propanol 55.8
    pyridine 290.75
    3-pentanone 205.45
    furfural 229.14
    n-dodecane 8.72
    diethylene glycol 22.67
    diisopropyl ether 67.5
    tert-amyl alcohol 75.88
    acetylacetone 195.8
    n-hexadecane 10.58
    acetophenone 227.3
    methyl propionate 155.6
    isopentyl acetate 245.62
    trichloroethylene 679.83
    n-nonanol 78.42
    cyclohexanol 128.8
    benzyl alcohol 108.45
    2-ethylhexanol 88.85
    isooctanol 88.6
    dipropyl ether 143.67
    1,2-dichlorobenzene 313.39
    ethyl lactate 59.12
    propylene carbonate 205.42
    n-methylformamide 30.08
    2-pentanol 58.39
    n-pentane 23.71
    1-propoxy-2-propanol 118.41
    1-methoxy-2-propyl acetate 209.17
    2-(2-methoxypropoxy) propanol 144.92
    mesitylene 87.51
    ε-caprolactone 478.06
    p-cymene 90.1
    epichlorohydrin 430.03
    1,1,1-trichloroethane 416.32
    2-aminoethanol 5.59
    morpholine-4-carbaldehyde 214.95
    sulfolane 327.64
    2,2,4-trimethylpentane 28.32
    2-methyltetrahydrofuran 425.31
    n-hexyl acetate 318.49
    isooctane 13.45
    2-(2-butoxyethoxy)ethanol 171.61
    sec-butyl acetate 203.75
    tert-butyl acetate 209.12
    decalin 48.64
    glycerin 5.28
    diglyme 324.12
    acrylic acid 36.11
    isopropyl myristate 104.47
    n-butyric acid 137.98
    acetyl acetate 130.53
    di(2-ethylhexyl) phthalate 110.35
    ethyl propionate 200.0
    nitromethane 86.49
    1,2-diethoxyethane 230.84
    benzonitrile 117.07
    trioctyl phosphate 69.4
    1-bromopropane 280.19
    gamma-valerolactone 471.54
    n-decanol 50.46
    triethyl phosphate 119.04
    4-methyl-2-pentanol 47.21
    propionitrile 50.9
    vinylene carbonate 171.58
    1,1,2-trichlorotrifluoroethane 203.54
    DMS 152.85
    cumene 99.99
    2-octanol 71.72
    2-hexanone 229.71
    octyl acetate 134.41
    limonene 135.18
    1,2-dimethoxyethane 171.04
    ethyl orthosilicate 136.58
    tributyl phosphate 84.48
    diacetone alcohol 125.61
    N,N-dimethylaniline 142.97
    acrylonitrile 42.88
    aniline 136.16
    1,3-propanediol 16.03
    bromobenzene 420.42
    dibromomethane 427.65
    1,1,2,2-tetrachloroethane 587.93
    2-methyl-cyclohexyl acetate 229.26
    tetrabutyl urea 115.69
    diisobutyl methanol 55.96
    2-phenylethanol 129.43
    styrene 167.5
    dioctyl adipate 160.0
    dimethyl sulfate 89.19
    ethyl butyrate 210.74
    methyl lactate 38.6
    butyl lactate 159.4
    diethyl carbonate 116.69
    propanediol butyl ether 79.23
    triethyl orthoformate 193.36
    p-tert-butyltoluene 77.4
    methyl 4-tert-butylbenzoate 224.93
    morpholine 221.69
    tert-butylamine 26.57
    n-dodecanol 34.69
    dimethoxymethane 94.31
    ethylene carbonate 161.58
    cyrene 149.88
    2-ethoxyethyl acetate 351.21
    2-ethylhexyl acetate 258.23
    1,2,4-trichlorobenzene 389.25
    4-methylpyridine 330.84
    dibutyl ether 152.24
    2,6-dimethyl-4-heptanol 55.96
    DEF 204.59
    dimethyl isosorbide 292.29
    tetrachloroethylene 328.88
    eugenol 163.71
    triacetin 261.79
    span 80 148.66
    1,4-butanediol 9.54
    1,1-dichloroethane 290.15
    2-methyl-1-pentanol 107.62
    methyl formate 24.59
    2-methyl-1-butanol 84.91
    n-decane 20.38
    butyronitrile 65.75
    3,7-dimethyl-1-octanol 80.22
    1-chlorooctane 97.19
    1-chlorotetradecane 30.67
    n-nonane 18.1
    undecane 12.47
    tert-butylcyclohexane 35.21
    cyclooctane 29.84
    cyclopentanol 87.18
    tetrahydropyran 377.46
    tert-amyl methyl ether 166.24
    2,5,8-trioxanonane 191.34
    1-hexene 113.83
    2-isopropoxyethanol 90.1
    2,2,2-trifluoroethanol 21.3
    methyl butyrate 232.48

    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