Dioctyldodecyl fluoroheptyl citrate

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  • Identifiers

    CAS number
    214334-16-4

    Molecular formula
    C53H91F11O7

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(CC(=O)OCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(=O)OCC(CCCCCCCC)CCCCCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 46.1%
    Woody 41.52%
    Odorless 37.49%
    Oily 33.43%
    Fatty 30.91%
    Balsamic 27.76%
    Fresh 25.47%
    Amber 24.53%
    Sandalwood 24.13%
    Animal 21.5%

     

    Flavor
    Bland 40.82%
    Odorless 32.9%
    Mild 30.22%
    Bitter 23.38%
    Slightly waxy 19.54%
    Sweet-like 19.11%
    Delicate 18.79%
    Sandalwood 18.73%
    Cedarleaf 18.63%
    Faint 18.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    22.4

    pKa est.
    -20.91 (strong acid)

    Molecular weight
    1049.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    649°C

    Flash point

    • -35.82 ˚C est.

  • Synonyms

    • Dioctyldodecyl fluoroheptyl citrate
    • Biosil basics fluoro guerbet 3.5
    • C8K53U029H
    • (+/-)-Dioctyldodecyl fluoroheptyl citrate
    • UNII-C8K53U029H
    • Dioctyldodecyl fluoroheptyl citrate, (+/-)-
    • 214334-16-4
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-bis(2-octyldodecyl) 3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl) ester
    • DTXSID00882989
    • NS00108923
    • Q27275325
    • 1,2-bis(2-Octyldodecyl) 3-((perfluoropentyl)ethyl) 2-hydroxy-1,2,3-propanetricarboxylate
    • 1,2-BIS(2-OCTYLDODECYL) 3-(3,3,4,4,5,5,6,6,7,7,7-UNDECAFLUOROHEPTYL) 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
    • 214334-16-4

  • Applications

    Applications of Dioctyldodecyl fluoroheptyl citrate (CAS 214334-16-4) include use as a plasticizer to improve flexibility and processability of polymers and coatings, particularly PVC and polyester resins; it may act as a processing solvent or co-formulation aid in industrial coatings, inks, and adhesives; it can serve as an intermediate for the synthesis of specialized fluorinated citrate esters; it may be evaluated as a solvent or emollient in cosmetic and personal care formulations, subject to formulation limits and regulations; and it can function as a lubricant or lubricant additive in polymer processing or equipment lubrication.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.51
    methanol 54.2
    isopropanol 29.97
    water 0.39
    ethyl acetate 105.49
    n-propanol 42.17
    acetone 162.84
    n-butanol 25.24
    acetonitrile 60.38
    DMF 291.38
    toluene 55.96
    isobutanol 30.23
    1,4-dioxane 95.24
    methyl acetate 132.44
    THF 245.25
    2-butanone 139.37
    n-pentanol 26.61
    sec-butanol 38.39
    n-hexane 3.47
    ethylene glycol 13.24
    NMP 648.94
    cyclohexane 5.52
    DMSO 315.85
    n-butyl acetate 54.87
    n-octanol 16.91
    chloroform 241.1
    n-propyl acetate 76.8
    acetic acid 210.99
    dichloromethane 235.98
    cyclohexanone 171.26
    propylene glycol 32.06
    isopropyl acetate 75.75
    DMAc 514.92
    2-ethoxyethanol 79.74
    isopentanol 20.71
    n-heptane 2.47
    ethyl formate 64.04
    1,2-dichloroethane 134.46
    n-hexanol 15.73
    2-methoxyethanol 97.21
    isobutyl acetate 42.55
    tetrachloromethane 46.73
    n-pentyl acetate 81.75
    transcutol 182.71
    n-heptanol 17.2
    ethylbenzene 26.54
    MIBK 51.76
    2-propoxyethanol 67.72
    tert-butanol 34.62
    MTBE 41.75
    2-butoxyethanol 64.77
    propionic acid 112.08
    o-xylene 44.77
    formic acid 79.12
    diethyl ether 36.35
    m-xylene 38.47
    p-xylene 35.61
    chlorobenzene 69.04
    dimethyl carbonate 107.37
    n-octane 1.67
    formamide 130.91
    cyclopentanone 296.06
    2-pentanone 90.0
    anisole 60.43
    cyclopentyl methyl ether 87.25
    gamma-butyrolactone 409.93
    1-methoxy-2-propanol 90.19
    pyridine 171.56
    3-pentanone 95.4
    furfural 276.3
    n-dodecane 0.98
    diethylene glycol 43.26
    diisopropyl ether 14.49
    tert-amyl alcohol 45.07
    acetylacetone 198.3
    n-hexadecane 1.19
    acetophenone 101.77
    methyl propionate 133.88
    isopentyl acetate 45.95
    trichloroethylene 390.01
    n-nonanol 17.5
    cyclohexanol 34.09
    benzyl alcohol 54.53
    2-ethylhexanol 12.46
    isooctanol 14.84
    dipropyl ether 24.21
    1,2-dichlorobenzene 80.73
    ethyl lactate 59.63
    propylene carbonate 182.39
    n-methylformamide 149.83
    2-pentanol 20.9
    n-pentane 3.05
    1-propoxy-2-propanol 54.9
    1-methoxy-2-propyl acetate 101.92
    2-(2-methoxypropoxy) propanol 75.55
    mesitylene 22.78
    ε-caprolactone 183.54
    p-cymene 15.9
    epichlorohydrin 299.3
    1,1,1-trichloroethane 168.74
    2-aminoethanol 35.47
    morpholine-4-carbaldehyde 293.06
    sulfolane 568.29
    2,2,4-trimethylpentane 3.13
    2-methyltetrahydrofuran 132.41
    n-hexyl acetate 74.82
    isooctane 1.37
    2-(2-butoxyethoxy)ethanol 75.48
    sec-butyl acetate 55.21
    tert-butyl acetate 90.14
    decalin 4.19
    glycerin 50.8
    diglyme 152.39
    acrylic acid 133.53
    isopropyl myristate 20.57
    n-butyric acid 100.47
    acetyl acetate 121.73
    di(2-ethylhexyl) phthalate 34.72
    ethyl propionate 74.62
    nitromethane 406.53
    1,2-diethoxyethane 59.15
    benzonitrile 57.41
    trioctyl phosphate 20.5
    1-bromopropane 56.22
    gamma-valerolactone 363.04
    n-decanol 10.78
    triethyl phosphate 36.91
    4-methyl-2-pentanol 12.72
    propionitrile 48.39
    vinylene carbonate 165.57
    1,1,2-trichlorotrifluoroethane 298.99
    DMS 109.87
    cumene 17.99
    2-octanol 14.33
    2-hexanone 68.14
    octyl acetate 33.04
    limonene 22.05
    1,2-dimethoxyethane 101.98
    ethyl orthosilicate 31.91
    tributyl phosphate 24.87
    diacetone alcohol 108.1
    N,N-dimethylaniline 50.99
    acrylonitrile 77.18
    aniline 56.82
    1,3-propanediol 36.07
    bromobenzene 72.36
    dibromomethane 123.41
    1,1,2,2-tetrachloroethane 292.97
    2-methyl-cyclohexyl acetate 50.29
    tetrabutyl urea 39.98
    diisobutyl methanol 8.15
    2-phenylethanol 40.23
    styrene 30.48
    dioctyl adipate 44.91
    dimethyl sulfate 250.2
    ethyl butyrate 52.15
    methyl lactate 106.02
    butyl lactate 72.76
    diethyl carbonate 36.88
    propanediol butyl ether 60.71
    triethyl orthoformate 42.31
    p-tert-butyltoluene 15.99
    methyl 4-tert-butylbenzoate 119.59
    morpholine 137.96
    tert-butylamine 16.36
    n-dodecanol 6.91
    dimethoxymethane 137.68
    ethylene carbonate 111.77
    cyrene 122.61
    2-ethoxyethyl acetate 137.1
    2-ethylhexyl acetate 38.1
    1,2,4-trichlorobenzene 128.08
    4-methylpyridine 126.33
    dibutyl ether 17.9
    2,6-dimethyl-4-heptanol 8.15
    DEF 137.25
    dimethyl isosorbide 141.92
    tetrachloroethylene 186.11
    eugenol 84.27
    triacetin 169.73
    span 80 63.4
    1,4-butanediol 22.35
    1,1-dichloroethane 123.04
    2-methyl-1-pentanol 24.83
    methyl formate 130.58
    2-methyl-1-butanol 28.02
    n-decane 2.14
    butyronitrile 33.08
    3,7-dimethyl-1-octanol 15.0
    1-chlorooctane 13.61
    1-chlorotetradecane 4.28
    n-nonane 1.92
    undecane 1.36
    tert-butylcyclohexane 3.45
    cyclooctane 2.43
    cyclopentanol 59.46
    tetrahydropyran 79.87
    tert-amyl methyl ether 47.51
    2,5,8-trioxanonane 98.66
    1-hexene 12.76
    2-isopropoxyethanol 58.0
    2,2,2-trifluoroethanol 124.88
    methyl butyrate 91.14

    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