Ethyl undecanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    627-90-7

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCCC(=O)OCC

    Retention indicies (RI)

    • Carbowax: 1725.0

  • Odor profile

    Fruity 81.9%
    Fatty 76.73%
    Oily 72.62%
    Waxy 70.38%
    Winey 62.85%
    Sweet 60.01%
    Cognac 55.69%
    Creamy 48.07%
    Floral 44.59%
    Coconut 40.05%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -15 °C

    Boiling point

    • 105.00 °C. @ 4.00 mm Hg

    Flash point est.
    107.87 ˚C

    Solubility expt.

    • Soluble in ethanol and oils, insoluble in water

  • Synonyms

    • ETHYL UNDECANOATE
    • 627-90-7
    • Undecanoic acid, ethyl ester
    • Ethyl undecylate
    • Undecanoic acid ethyl ester
    • Ethyl hendecanoate
    • Ethyl n-undecanoate
    • n-Undecanoic acid ethyl ester
    • FEMA No. 3492
    • UNII-Q5223I1993
    • EINECS 211-018-5
    • MFCD00008958
    • NSC-97265
    • Undecanoic acid-ethyl ester
    • AI3-04250
    • DTXSID6060846
    • ETHYL UNDECANOATE [FHFI]
    • Q5223I1993
    • FEMA 3492
    • HENDECANOIC ACID, ETHYL ESTER
    • ethyl undecanoic acid
    • Ethyl undecanoate, 97%
    • SCHEMBL309440
    • DTXCID5043506
    • CHEBI:180101
    • Ethyl undecanoate, >=97%, FG
    • NSC97265
    • LMFA07010886
    • AKOS015839824
    • CS-W014923
    • DS-4070
    • FE69978
    • HY-W014207
    • DB-054285
    • NS00022568
    • U0049
    • Q27287011
    • 211-018-5

  • Applications

    Ethyl undecanoate (CAS 627-90-7), a medium-chain ethyl ester with a fruity, waxy, creamy odor, is used as a flavor and fragrance ingredient (adding roundness, creaminess, and fixative effects), as a solvent/carrier for aroma materials, an emollient and skin-conditioning agent in cosmetics, a lubricant additive and polymer plasticizer, a synthesis intermediate via transesterification/amide formation to access specialty esters and C11 amides for surfactants, a component/model in FAEE biodiesel and bio-based solvent systems, a slow-release carrier in agricultural pheromone formulations, and a reference/standard in GC-FID/GC-MS for quantifying fatty acid ethyl esters or beverage aroma profiles; its moderate volatility, pleasant odor, formulation compatibility, and favorable biodegradability support broad consumer and technical uses.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6316.27
    methanol 6010.32
    isopropanol 6762.42
    water 0.05
    ethyl acetate 7688.58
    n-propanol 6076.06
    acetone 12934.23
    n-butanol 5192.22
    acetonitrile 6162.66
    DMF 6511.1
    toluene 2536.99
    isobutanol 4684.26
    1,4-dioxane 7161.88
    methyl acetate 4982.36
    THF 10561.65
    2-butanone 8410.48
    n-pentanol 3670.17
    sec-butanol 5669.44
    n-hexane 2637.49
    ethylene glycol 240.9
    NMP 4874.07
    cyclohexane 3231.24
    DMSO 7643.22
    n-butyl acetate 6345.86
    n-octanol 1382.9
    chloroform 10714.92
    n-propyl acetate 5952.06
    acetic acid 2965.3
    dichloromethane 10845.37
    cyclohexanone 12123.92
    propylene glycol 643.92
    isopropyl acetate 5128.75
    DMAc 4043.7
    2-ethoxyethanol 3303.22
    isopentanol 4685.78
    n-heptane 810.94
    ethyl formate 3177.44
    1,2-dichloroethane 8135.7
    n-hexanol 3089.12
    2-methoxyethanol 4991.7
    isobutyl acetate 3026.66
    tetrachloromethane 1981.96
    n-pentyl acetate 3588.33
    transcutol 8716.0
    n-heptanol 1212.14
    ethylbenzene 1414.41
    MIBK 3884.76
    2-propoxyethanol 3523.54
    tert-butanol 7328.89
    MTBE 8761.26
    2-butoxyethanol 2072.31
    propionic acid 3012.31
    o-xylene 1359.38
    formic acid 396.13
    diethyl ether 10408.77
    m-xylene 1446.71
    p-xylene 1876.7
    chlorobenzene 3428.25
    dimethyl carbonate 804.37
    n-octane 272.58
    formamide 825.44
    cyclopentanone 9017.78
    2-pentanone 8197.86
    anisole 2215.74
    cyclopentyl methyl ether 6889.99
    gamma-butyrolactone 7034.45
    1-methoxy-2-propanol 4107.09
    pyridine 7228.24
    3-pentanone 4528.1
    furfural 4281.62
    n-dodecane 130.54
    diethylene glycol 1346.45
    diisopropyl ether 2383.19
    tert-amyl alcohol 5687.76
    acetylacetone 5313.72
    n-hexadecane 162.59
    acetophenone 2022.63
    methyl propionate 4037.84
    isopentyl acetate 4729.26
    trichloroethylene 10732.91
    n-nonanol 1129.67
    cyclohexanol 5852.7
    benzyl alcohol 1610.79
    2-ethylhexanol 2207.84
    isooctanol 1129.38
    dipropyl ether 4231.28
    1,2-dichlorobenzene 2780.93
    ethyl lactate 1114.22
    propylene carbonate 3404.86
    n-methylformamide 2994.8
    2-pentanol 4268.16
    n-pentane 1330.82
    1-propoxy-2-propanol 3468.84
    1-methoxy-2-propyl acetate 3358.21
    2-(2-methoxypropoxy) propanol 1452.93
    mesitylene 1022.42
    ε-caprolactone 7588.69
    p-cymene 798.0
    epichlorohydrin 7702.76
    1,1,1-trichloroethane 7849.76
    2-aminoethanol 1064.07
    morpholine-4-carbaldehyde 4370.05
    sulfolane 7004.95
    2,2,4-trimethylpentane 402.94
    2-methyltetrahydrofuran 10882.89
    n-hexyl acetate 3905.86
    isooctane 320.94
    2-(2-butoxyethoxy)ethanol 2247.19
    sec-butyl acetate 3660.85
    tert-butyl acetate 4667.66
    decalin 825.48
    glycerin 637.27
    diglyme 4593.14
    acrylic acid 1597.72
    isopropyl myristate 1098.96
    n-butyric acid 6434.9
    acetyl acetate 2947.74
    di(2-ethylhexyl) phthalate 740.22
    ethyl propionate 4237.09
    nitromethane 5933.22
    1,2-diethoxyethane 5221.37
    benzonitrile 2868.64
    trioctyl phosphate 610.13
    1-bromopropane 7421.03
    gamma-valerolactone 9058.72
    n-decanol 697.7
    triethyl phosphate 995.18
    4-methyl-2-pentanol 1896.53
    propionitrile 5141.97
    vinylene carbonate 2732.51
    1,1,2-trichlorotrifluoroethane 3903.33
    DMS 1769.87
    cumene 863.07
    2-octanol 1124.3
    2-hexanone 5764.4
    octyl acetate 1305.87
    limonene 1659.05
    1,2-dimethoxyethane 7512.61
    ethyl orthosilicate 1037.28
    tributyl phosphate 862.59
    diacetone alcohol 3430.48
    N,N-dimethylaniline 1358.27
    acrylonitrile 4446.48
    aniline 2746.13
    1,3-propanediol 2059.4
    bromobenzene 4069.52
    dibromomethane 8534.03
    1,1,2,2-tetrachloroethane 9291.76
    2-methyl-cyclohexyl acetate 2016.92
    tetrabutyl urea 1107.12
    diisobutyl methanol 1177.41
    2-phenylethanol 1536.02
    styrene 2010.43
    dioctyl adipate 1472.81
    dimethyl sulfate 1232.53
    ethyl butyrate 3813.06
    methyl lactate 1031.17
    butyl lactate 1836.27
    diethyl carbonate 1738.85
    propanediol butyl ether 1630.28
    triethyl orthoformate 2094.25
    p-tert-butyltoluene 735.89
    methyl 4-tert-butylbenzoate 1444.83
    morpholine 10754.21
    tert-butylamine 5081.7
    n-dodecanol 494.78
    dimethoxymethane 3814.28
    ethylene carbonate 2911.74
    cyrene 1125.39
    2-ethoxyethyl acetate 3138.73
    2-ethylhexyl acetate 3589.13
    1,2,4-trichlorobenzene 2857.5
    4-methylpyridine 6750.59
    dibutyl ether 3864.94
    2,6-dimethyl-4-heptanol 1177.41
    DEF 7106.74
    dimethyl isosorbide 2474.38
    tetrachloroethylene 6182.93
    eugenol 1204.33
    triacetin 2203.39
    span 80 1622.18
    1,4-butanediol 787.69
    1,1-dichloroethane 9440.06
    2-methyl-1-pentanol 3020.04
    methyl formate 1619.39
    2-methyl-1-butanol 4276.99
    n-decane 317.19
    butyronitrile 6425.63
    3,7-dimethyl-1-octanol 1411.24
    1-chlorooctane 1395.95
    1-chlorotetradecane 386.92
    n-nonane 357.5
    undecane 189.27
    tert-butylcyclohexane 656.06
    cyclooctane 697.4
    cyclopentanol 5459.03
    tetrahydropyran 14603.35
    tert-amyl methyl ether 5006.75
    2,5,8-trioxanonane 2410.07
    1-hexene 6583.68
    2-isopropoxyethanol 2685.14
    2,2,2-trifluoroethanol 647.93
    methyl butyrate 6417.56

    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
Coriander fruit (Finland) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.05%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.05%