Vinyl stearate

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  • Identifiers

    CAS number
    111-63-7

    Molecular formula
    C20H38O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC=C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 76.37%
    Waxy 68.74%
    Oily 56.67%
    Creamy 30.95%
    Fruity 30.24%
    Sweet 30.09%
    Dairy 28.22%
    Buttery 25.62%
    Milky 25.35%
    Soapy 25.25%

     

    Flavor
    Waxy 58.09%
    Fatty 52.85%
    Oily 40.41%
    Mild 36.85%
    Fat 34.92%
    Soapy 33.88%
    Coconut 31.37%
    Faint 30.34%
    Creamy 30.03%
    Bland 27.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.39 (neutral)

    Molecular weight
    310.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 164.92 ˚C est.

  • Synonyms

    • Vinyl stearate
    • Octadecanoic acid, ethenyl ester
    • Stearic acid, vinyl ester
    • vinyl octadecanoate
    • UNII-F6L6TFV7BX
    • F6L6TFV7BX
    • NSC-5641
    • EINECS 203-890-0
    • NSC 20891
    • NSC-20891
    • AI3-23120
    • DTXSID20861736
    • RefChem:194328
    • DTXCID60810622
    • Stearic acid, vinyl ester (8CI)
    • 203-890-0
    • AFSIMBWBBOJPJG-UHFFFAOYSA-N
    • 111-63-7
    • ethenyl octadecanoate
    • Vinyl stearate (stabilized with MEHQ)
    • VinylStearate(stabilizedwithMEHQ)
    • MFCD00026667
    • Vinylstearate
    • Stearic Acid Vinyl Ester
    • Vinyl stearate,min. 95%
    • SCHEMBL20476
    • orb2939621
    • NSC5641
    • AAA11163
    • NSC20891
    • AKOS015916173
    • FS-4089
    • HY-W106426
    • Vinyl stearate, inhibitor MEHQ (20ppm)
    • SY052026
    • DB-040994
    • CS-0167847
    • NS00041239
    • S0241
    • D95414
    • H61903
    • Q27277716
    • Vinyl stearate, contains 20 ppm MEHQ as inhibitor, 95%
    • 111-63-7

  • Applications

    Vinyl stearate (CAS 111-63-7) is the vinyl ester of stearic acid and is used primarily as a monomer or co-monomer to prepare poly(vinyl stearate) and related fatty-ester polymers, which are employed in coatings and inks and in adhesive formulations because of film-forming, wax-like properties. It is also used as a plasticizer and processing aid in polymer formulations to help control viscosity and flexibility. In coatings and inks, it can serve as a fatty-ester component that contributes to gloss and water resistance. In cosmetics and personal care, it may be used as an emollient or conditioning ester in formulations. As an intermediate in organic synthesis, vinyl stearate is used to prepare other fatty ester derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.41
    methanol 15.2
    isopropanol 24.59
    water 0.0
    ethyl acetate 254.73
    n-propanol 27.58
    acetone 135.01
    n-butanol 38.05
    acetonitrile 40.1
    DMF 242.59
    toluene 123.75
    isobutanol 33.9
    1,4-dioxane 209.76
    methyl acetate 137.32
    THF 766.98
    2-butanone 218.04
    n-pentanol 39.14
    sec-butanol 42.04
    n-hexane 30.18
    ethylene glycol 1.07
    NMP 816.58
    cyclohexane 130.19
    DMSO 257.36
    n-butyl acetate 351.94
    n-octanol 55.25
    chloroform 651.46
    n-propyl acetate 344.56
    acetic acid 42.09
    dichloromethane 741.48
    cyclohexanone 816.92
    propylene glycol 4.74
    isopropyl acetate 274.38
    DMAc 500.55
    2-ethoxyethanol 86.59
    isopentanol 62.75
    n-heptane 34.83
    ethyl formate 88.56
    1,2-dichloroethane 533.41
    n-hexanol 47.04
    2-methoxyethanol 74.01
    isobutyl acetate 243.01
    tetrachloromethane 131.29
    n-pentyl acetate 439.49
    transcutol 613.96
    n-heptanol 46.31
    ethylbenzene 99.24
    MIBK 276.75
    2-propoxyethanol 115.19
    tert-butanol 66.7
    MTBE 180.78
    2-butoxyethanol 129.92
    propionic acid 52.26
    o-xylene 118.34
    formic acid 5.41
    diethyl ether 131.46
    m-xylene 107.35
    p-xylene 153.1
    chlorobenzene 253.18
    dimethyl carbonate 49.56
    n-octane 16.76
    formamide 13.55
    cyclopentanone 815.17
    2-pentanone 267.24
    anisole 227.05
    cyclopentyl methyl ether 450.55
    gamma-butyrolactone 672.07
    1-methoxy-2-propanol 104.42
    pyridine 321.37
    3-pentanone 228.82
    furfural 453.34
    n-dodecane 9.24
    diethylene glycol 31.29
    diisopropyl ether 95.03
    tert-amyl alcohol 92.27
    acetylacetone 390.32
    n-hexadecane 11.97
    acetophenone 301.94
    methyl propionate 168.07
    isopentyl acetate 354.42
    trichloroethylene 921.01
    n-nonanol 62.09
    cyclohexanol 130.88
    benzyl alcohol 94.64
    2-ethylhexanol 76.78
    isooctanol 59.12
    dipropyl ether 225.42
    1,2-dichlorobenzene 344.87
    ethyl lactate 90.64
    propylene carbonate 377.36
    n-methylformamide 53.71
    2-pentanol 45.39
    n-pentane 15.95
    1-propoxy-2-propanol 157.11
    1-methoxy-2-propyl acetate 334.15
    2-(2-methoxypropoxy) propanol 175.23
    mesitylene 93.12
    ε-caprolactone 659.48
    p-cymene 92.0
    epichlorohydrin 717.14
    1,1,1-trichloroethane 607.46
    2-aminoethanol 5.9
    morpholine-4-carbaldehyde 433.9
    sulfolane 1151.32
    2,2,4-trimethylpentane 22.71
    2-methyltetrahydrofuran 573.99
    n-hexyl acetate 409.41
    isooctane 15.15
    2-(2-butoxyethoxy)ethanol 206.89
    sec-butyl acetate 293.91
    tert-butyl acetate 420.27
    decalin 60.01
    glycerin 9.22
    diglyme 536.39
    acrylic acid 34.48
    isopropyl myristate 148.06
    n-butyric acid 148.93
    acetyl acetate 170.43
    di(2-ethylhexyl) phthalate 94.17
    ethyl propionate 295.81
    nitromethane 142.63
    1,2-diethoxyethane 373.98
    benzonitrile 160.81
    trioctyl phosphate 70.39
    1-bromopropane 297.22
    gamma-valerolactone 876.59
    n-decanol 41.18
    triethyl phosphate 188.23
    4-methyl-2-pentanol 46.28
    propionitrile 62.51
    vinylene carbonate 244.61
    1,1,2-trichlorotrifluoroethane 326.18
    DMS 207.73
    cumene 79.29
    2-octanol 53.61
    2-hexanone 293.12
    octyl acetate 161.29
    limonene 186.54
    1,2-dimethoxyethane 383.32
    ethyl orthosilicate 182.91
    tributyl phosphate 107.92
    diacetone alcohol 267.64
    N,N-dimethylaniline 165.96
    acrylonitrile 64.42
    aniline 96.5
    1,3-propanediol 16.23
    bromobenzene 342.59
    dibromomethane 469.37
    1,1,2,2-tetrachloroethane 919.78
    2-methyl-cyclohexyl acetate 337.64
    tetrabutyl urea 181.2
    diisobutyl methanol 75.26
    2-phenylethanol 99.02
    styrene 123.61
    dioctyl adipate 242.47
    dimethyl sulfate 149.03
    ethyl butyrate 382.39
    methyl lactate 56.53
    butyl lactate 201.34
    diethyl carbonate 192.13
    propanediol butyl ether 92.74
    triethyl orthoformate 295.62
    p-tert-butyltoluene 87.68
    methyl 4-tert-butylbenzoate 297.89
    morpholine 285.29
    tert-butylamine 51.41
    n-dodecanol 30.38
    dimethoxymethane 151.89
    ethylene carbonate 223.3
    cyrene 200.57
    2-ethoxyethyl acetate 393.2
    2-ethylhexyl acetate 332.7
    1,2,4-trichlorobenzene 401.0
    4-methylpyridine 357.27
    dibutyl ether 271.41
    2,6-dimethyl-4-heptanol 75.26
    DEF 377.39
    dimethyl isosorbide 549.65
    tetrachloroethylene 485.77
    eugenol 196.29
    triacetin 388.42
    span 80 165.91
    1,4-butanediol 8.27
    1,1-dichloroethane 406.71
    2-methyl-1-pentanol 64.68
    methyl formate 42.59
    2-methyl-1-butanol 55.62
    n-decane 21.95
    butyronitrile 91.04
    3,7-dimethyl-1-octanol 83.6
    1-chlorooctane 119.95
    1-chlorotetradecane 37.34
    n-nonane 21.27
    undecane 13.23
    tert-butylcyclohexane 42.81
    cyclooctane 36.18
    cyclopentanol 124.3
    tetrahydropyran 398.73
    tert-amyl methyl ether 206.08
    2,5,8-trioxanonane 313.87
    1-hexene 77.1
    2-isopropoxyethanol 95.84
    2,2,2-trifluoroethanol 21.44
    methyl butyrate 421.81

    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