Ethyl stearate

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  • Identifiers

    CAS number
    111-61-5

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 2195.0
    • Carbowax: 2460.0

  • Odor profile

    Waxy 78.3%
    Fatty 73.91%
    Oily 64.09%
    Sweet 40.0%
    Creamy 36.57%
    Fruity 28.16%
    Dairy 27.38%
    Odorless 26.64%
    Soapy 22.9%
    Buttery 22.17%

    Scent© AI

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.33 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 33.4 °C

    Boiling point

    • 213.00 to 215.00 °C. @ 15.00 mm Hg

    Flash point est.
    161.98 ˚C

    Solubility expt.

    • Soluble in ethanol and oils, insoluble in water

  • Synonyms

    • ETHYL STEARATE
    • 111-61-5
    • Ethyl octadecanoate
    • Stearic acid ethyl ester
    • Octadecanoic acid, ethyl ester
    • Ethyl n-octadecanoate
    • Stearic acid, ethyl ester
    • Dicyclohexylammonium sulfate
    • FEMA No. 3490
    • NSC 8919
    • EINECS 203-887-4
    • UNII-C64RTC734W
    • MFCD00009006
    • BRN 1788183
    • C64RTC734W
    • AI3-01781
    • NSC-8919
    • Radia 7185
    • Octadecanoic acid-ethyl ester
    • DTXSID5059406
    • ETHYL STEARATE [USP-RS]
    • CHEBI:84936
    • ETHYL OCTADECANOATE [FHFI]
    • 4-02-00-01218 (Beilstein Handbook Reference)
    • STEARIC ACID ETHYL ESTER [MI]
    • ETHYL STEARATE (USP-RS)
    • Ethyl Stearate; Octadecanoic acid ethyl ester
    • ethyl-stearate
    • Ethyloctadecanoate
    • Ethyl ocatadecanoate
    • Ethyl stearate, >=97%
    • Dicyclohexylammonium sulphate
    • octadecanoic acid ethyl ester
    • SCHEMBL24287
    • Octacecanoic acid, ethy ester
    • ETHYL STEARATE [INCI]
    • QSPL 077
    • QSPL 080
    • QSPL 085
    • QSPL 088
    • QSPL 132
    • DTXCID5033202
    • FEMA 3490
    • NSC8919
    • HMS3650O05
    • Ethyl stearate, analytical standard
    • Ethyl octadecanoate (ethyl stearate)
    • LMFA07010883
    • AKOS004910332
    • CS-W014525
    • Ethyl stearate, 1mg/ml in Acetonitrile
    • HY-W013809
    • Ethyl stearate, >=99% (capillary GC)
    • BS-42291
    • NS00012462
    • S0079
    • S0365
    • D92247
    • Ethyl stearate, Vetec(TM) reagent grade, 97%
    • SR-01000946815
    • Q9344811
    • SR-01000946815-1
    • Ethyl stearate, United States Pharmacopeia (USP) Reference Standard
    • 203-887-4

  • Applications

    Ethyl stearate (CAS 111-61-5) is the ethyl ester of stearic acid and is widely used across industrial and consumer sectors for its physiological inertness, light fatty-fruity scent and broad compatibility; in food technology it serves as a buttery flavoring, fruit-coating preservative, release lubricant in confectionery and dough-conditioning aid; in cosmetics and personal care it functions as an emollient that reinforces the lipid barrier, lessens greasiness and improves spreadability in creams, lipsticks and sunscreens; in pharmaceuticals it works as a sustained-release excipient and solvent saturation agent in soft-gel capsules; technically the ester is employed as a biodegradable lubricant, anti-foam and viscosity modifier in engine oils, a PVC plasticizer, a solvent for printing inks, a wetting agent for textiles and a film-forming anticorrosion additive; additionally, ethyl stearate is investigated as a biodiesel component due to its high biodegradability and favorable cetane number, offering a renewable alternative to traditional mineral-based solvents and base oils.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.08
    methanol 79.27
    isopropanol 138.53
    water 0.03
    ethyl acetate 907.2
    n-propanol 142.24
    acetone 487.93
    n-butanol 192.65
    acetonitrile 207.58
    DMF 731.97
    toluene 329.17
    isobutanol 175.84
    1,4-dioxane 744.04
    methyl acetate 478.33
    THF 1727.47
    2-butanone 711.97
    n-pentanol 142.24
    sec-butanol 208.44
    n-hexane 120.46
    ethylene glycol 5.68
    NMP 1652.89
    cyclohexane 649.99
    DMSO 728.37
    n-butyl acetate 996.81
    n-octanol 197.61
    chloroform 2055.27
    n-propyl acetate 1055.57
    acetic acid 176.04
    dichloromethane 2206.23
    cyclohexanone 2315.84
    propylene glycol 21.22
    isopropyl acetate 858.34
    DMAc 1186.79
    2-ethoxyethanol 280.06
    isopentanol 268.45
    n-heptane 132.72
    ethyl formate 333.71
    1,2-dichloroethane 1548.88
    n-hexanol 152.83
    2-methoxyethanol 291.36
    isobutyl acetate 676.14
    tetrachloromethane 549.36
    n-pentyl acetate 1286.86
    transcutol 1496.49
    n-heptanol 160.15
    ethylbenzene 259.88
    MIBK 797.41
    2-propoxyethanol 312.84
    tert-butanol 298.38
    MTBE 666.23
    2-butoxyethanol 406.25
    propionic acid 219.61
    o-xylene 310.43
    formic acid 24.89
    diethyl ether 564.58
    m-xylene 267.09
    p-xylene 417.29
    chlorobenzene 660.36
    dimethyl carbonate 158.45
    n-octane 57.06
    formamide 64.64
    cyclopentanone 1976.61
    2-pentanone 858.05
    anisole 514.35
    cyclopentyl methyl ether 1208.72
    gamma-butyrolactone 1709.6
    1-methoxy-2-propanol 367.8
    pyridine 943.32
    3-pentanone 724.05
    furfural 1047.68
    n-dodecane 28.39
    diethylene glycol 96.04
    diisopropyl ether 321.06
    tert-amyl alcohol 366.75
    acetylacetone 1010.61
    n-hexadecane 37.32
    acetophenone 654.01
    methyl propionate 571.07
    isopentyl acetate 935.42
    trichloroethylene 2374.45
    n-nonanol 207.26
    cyclohexanol 567.86
    benzyl alcohol 256.1
    2-ethylhexanol 238.8
    isooctanol 196.9
    dipropyl ether 693.45
    1,2-dichlorobenzene 856.82
    ethyl lactate 260.34
    propylene carbonate 988.02
    n-methylformamide 217.71
    2-pentanol 203.76
    n-pentane 72.49
    1-propoxy-2-propanol 423.67
    1-methoxy-2-propyl acetate 754.99
    2-(2-methoxypropoxy) propanol 371.88
    mesitylene 236.65
    ε-caprolactone 1806.12
    p-cymene 227.47
    epichlorohydrin 1661.14
    1,1,1-trichloroethane 1819.29
    2-aminoethanol 30.1
    morpholine-4-carbaldehyde 1123.85
    sulfolane 2472.51
    2,2,4-trimethylpentane 72.46
    2-methyltetrahydrofuran 1532.56
    n-hexyl acetate 1115.64
    isooctane 44.07
    2-(2-butoxyethoxy)ethanol 509.34
    sec-butyl acetate 829.73
    tert-butyl acetate 1103.49
    decalin 183.36
    glycerin 38.65
    diglyme 1282.59
    acrylic acid 134.56
    isopropyl myristate 364.76
    n-butyric acid 613.54
    acetyl acetate 546.18
    di(2-ethylhexyl) phthalate 229.51
    ethyl propionate 903.63
    nitromethane 537.43
    1,2-diethoxyethane 964.54
    benzonitrile 460.11
    trioctyl phosphate 184.92
    1-bromopropane 964.13
    gamma-valerolactone 2207.87
    n-decanol 129.17
    triethyl phosphate 433.93
    4-methyl-2-pentanol 168.78
    propionitrile 291.02
    vinylene carbonate 693.37
    1,1,2-trichlorotrifluoroethane 898.58
    DMS 511.45
    cumene 194.85
    2-octanol 188.93
    2-hexanone 799.75
    octyl acetate 417.85
    limonene 494.3
    1,2-dimethoxyethane 1086.91
    ethyl orthosilicate 431.84
    tributyl phosphate 270.26
    diacetone alcohol 698.03
    N,N-dimethylaniline 374.85
    acrylonitrile 276.85
    aniline 306.04
    1,3-propanediol 81.48
    bromobenzene 850.95
    dibromomethane 1501.24
    1,1,2,2-tetrachloroethane 2417.74
    2-methyl-cyclohexyl acetate 743.52
    tetrabutyl urea 425.16
    diisobutyl methanol 208.84
    2-phenylethanol 240.07
    styrene 323.09
    dioctyl adipate 554.92
    dimethyl sulfate 381.57
    ethyl butyrate 1052.2
    methyl lactate 173.67
    butyl lactate 569.96
    diethyl carbonate 509.35
    propanediol butyl ether 287.95
    triethyl orthoformate 743.83
    p-tert-butyltoluene 207.05
    methyl 4-tert-butylbenzoate 652.58
    morpholine 1062.1
    tert-butylamine 236.12
    n-dodecanol 93.13
    dimethoxymethane 454.02
    ethylene carbonate 720.15
    cyrene 420.69
    2-ethoxyethyl acetate 1035.9
    2-ethylhexyl acetate 857.41
    1,2,4-trichlorobenzene 935.4
    4-methylpyridine 953.2
    dibutyl ether 818.47
    2,6-dimethyl-4-heptanol 208.84
    DEF 1181.67
    dimethyl isosorbide 952.0
    tetrachloroethylene 1534.24
    eugenol 436.03
    triacetin 946.53
    span 80 404.36
    1,4-butanediol 36.62
    1,1-dichloroethane 1306.55
    2-methyl-1-pentanol 213.42
    methyl formate 152.95
    2-methyl-1-butanol 240.72
    n-decane 72.43
    butyronitrile 409.02
    3,7-dimethyl-1-octanol 244.36
    1-chlorooctane 357.98
    1-chlorotetradecane 104.49
    n-nonane 73.61
    undecane 41.61
    tert-butylcyclohexane 126.1
    cyclooctane 143.0
    cyclopentanol 511.02
    tetrahydropyran 1452.21
    tert-amyl methyl ether 651.79
    2,5,8-trioxanonane 698.82
    1-hexene 261.83
    2-isopropoxyethanol 291.02
    2,2,2-trifluoroethanol 95.55
    methyl butyrate 1268.92

    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

Botanical

Name CAS Botanical Proportion
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 3.67%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.21%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.5%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.15%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.21%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.13%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.07%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.06%
Mandarin leaf (Petitgrain mandarin.) (Israel) 2 Citrus reticulata Blanco, cultivar Yussuf Effendy, fam. Rutaceae 0.09%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.25%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.87%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.53%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.16%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.11%
Coriander fruit (Finland) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 2.1%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.86%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.12%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.1%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%