Ethyl pentadecanoate

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  • Identifiers

    CAS number
    41114-00-5

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCCCCC(=O)OCC

    Retention indicies (RI)

    • DB5: 1880.0

  • Odor profile

    Fatty 77.15%
    Waxy 76.16%
    Oily 69.59%
    Sweet 48.17%
    Fruity 45.2%
    Creamy 43.6%
    Dairy 33.51%
    Winey 31.31%
    Soapy 29.24%
    Cognac 28.99%

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  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.2 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point est.
    140.62 ˚C

  • Synonyms

    • ETHYL PENTADECANOATE
    • 41114-00-5
    • n-Pentadecanoic acid ethyl ester
    • Pentadecanoic acid, ethyl ester
    • UNII-HJ2A096Y4T
    • HJ2A096Y4T
    • EINECS 255-223-8
    • PENTADECANOIC ACID ETHYL ESTER
    • NSC-137833
    • Pentadecanoic acid-ethyl ester
    • DTXSID80194057
    • NSC 137833
    • MFCD00042872
    • ethyl pentadecanoic acid
    • SCHEMBL547039
    • DTXCID90116548
    • CHEBI:172144
    • Ethyl pentadecanoate, >=96.0%
    • NSC137833
    • AKOS015839791
    • HY-W127474
    • LS-14614
    • DB-254733
    • CS-0185703
    • NS00022159
    • P0868
    • D92032
    • Q27279950
    • 255-223-8

  • Applications

    Ethyl pentadecanoate (CAS 41114-00-5) is the ethyl ester of pentadecanoic acid, used in fragrance/flavor research and formulation as a fatty, waxy, slightly fruity note and as a low-volatility carrier/fixative; as an emollient and slip/skin-feel modifier in personal-care products and as a slow-evaporating bio-based solvent for actives, aromas, and pigments; as a biodegradable base fluid/additive in lubricants, greases, and polymer processing aids to enhance lubricity; as a reference or internal standard in GC(-MS) for fatty-acid ethyl esters, retention-index calibration, and profiling of ester formation in fermented beverages and biodiesel; and as a synthetic intermediate (via transesterification, hydrolysis, reduction, etc.) toward surfactants, waxes, and other specialty chemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 592.67
    methanol 485.35
    isopropanol 901.75
    water 0.02
    ethyl acetate 2649.23
    n-propanol 814.59
    acetone 2158.93
    n-butanol 945.83
    acetonitrile 885.76
    DMF 2115.94
    toluene 934.28
    isobutanol 862.13
    1,4-dioxane 2156.35
    methyl acetate 1503.22
    THF 4141.72
    2-butanone 2369.58
    n-pentanol 640.99
    sec-butanol 1004.27
    n-hexane 526.1
    ethylene glycol 25.09
    NMP 2884.3
    cyclohexane 1622.61
    DMSO 2090.83
    n-butyl acetate 2498.6
    n-octanol 500.02
    chloroform 4498.6
    n-propyl acetate 2606.69
    acetic acid 580.44
    dichloromethane 4705.08
    cyclohexanone 5386.83
    propylene glycol 93.61
    isopropyl acetate 2186.05
    DMAc 2332.82
    2-ethoxyethanol 896.17
    isopentanol 1100.14
    n-heptane 368.46
    ethyl formate 1015.92
    1,2-dichloroethane 3580.46
    n-hexanol 629.3
    2-methoxyethanol 1103.51
    isobutyl acetate 1535.04
    tetrachloromethane 1102.4
    n-pentyl acetate 2320.59
    transcutol 3559.48
    n-heptanol 438.15
    ethylbenzene 642.6
    MIBK 1875.55
    2-propoxyethanol 1020.4
    tert-butanol 1409.51
    MTBE 2431.13
    2-butoxyethanol 927.42
    propionic acid 741.56
    o-xylene 724.1
    formic acid 71.55
    diethyl ether 2314.89
    m-xylene 675.97
    p-xylene 962.34
    chlorobenzene 1523.28
    dimethyl carbonate 361.85
    n-octane 133.29
    formamide 175.11
    cyclopentanone 4354.08
    2-pentanone 2600.39
    anisole 1100.97
    cyclopentyl methyl ether 2982.52
    gamma-butyrolactone 3584.23
    1-methoxy-2-propanol 1211.56
    pyridine 2640.06
    3-pentanone 1889.72
    furfural 2212.7
    n-dodecane 65.04
    diethylene glycol 321.2
    diisopropyl ether 933.97
    tert-amyl alcohol 1344.61
    acetylacetone 2332.69
    n-hexadecane 83.52
    acetophenone 1212.7
    methyl propionate 1562.29
    isopentyl acetate 2195.88
    trichloroethylene 5103.08
    n-nonanol 475.74
    cyclohexanol 1860.53
    benzyl alcohol 634.05
    2-ethylhexanol 726.34
    isooctanol 495.62
    dipropyl ether 1867.92
    1,2-dichlorobenzene 1613.73
    ethyl lactate 568.72
    propylene carbonate 1931.11
    n-methylformamide 727.14
    2-pentanol 905.79
    n-pentane 316.15
    1-propoxy-2-propanol 1199.79
    1-methoxy-2-propyl acetate 1674.04
    2-(2-methoxypropoxy) propanol 730.62
    mesitylene 528.58
    ε-caprolactone 3973.72
    p-cymene 472.08
    epichlorohydrin 3639.74
    1,1,1-trichloroethane 3853.45
    2-aminoethanol 141.26
    morpholine-4-carbaldehyde 2267.73
    sulfolane 4183.63
    2,2,4-trimethylpentane 178.33
    2-methyltetrahydrofuran 4037.33
    n-hexyl acetate 2219.36
    isooctane 121.77
    2-(2-butoxyethoxy)ethanol 1086.8
    sec-butyl acetate 1906.75
    tert-butyl acetate 2455.3
    decalin 421.76
    glycerin 129.76
    diglyme 2409.84
    acrylic acid 398.92
    isopropyl myristate 696.44
    n-butyric acid 1975.03
    acetyl acetate 1268.84
    di(2-ethylhexyl) phthalate 427.94
    ethyl propionate 2156.82
    nitromethane 1500.53
    1,2-diethoxyethane 2213.48
    benzonitrile 1176.37
    trioctyl phosphate 357.62
    1-bromopropane 2675.6
    gamma-valerolactone 4583.59
    n-decanol 297.29
    triethyl phosphate 725.85
    4-methyl-2-pentanol 582.01
    propionitrile 1189.85
    vinylene carbonate 1414.7
    1,1,2-trichlorotrifluoroethane 1887.84
    DMS 1011.21
    cumene 440.07
    2-octanol 466.51
    2-hexanone 2088.22
    octyl acetate 807.02
    limonene 1015.08
    1,2-dimethoxyethane 2768.45
    ethyl orthosilicate 733.25
    tributyl phosphate 525.69
    diacetone alcohol 1608.91
    N,N-dimethylaniline 756.86
    acrylonitrile 1040.45
    aniline 865.58
    1,3-propanediol 360.34
    bromobenzene 1898.15
    dibromomethane 3481.06
    1,1,2,2-tetrachloroethane 4819.7
    2-methyl-cyclohexyl acetate 1340.58
    tetrabutyl urea 740.87
    diisobutyl methanol 522.28
    2-phenylethanol 602.44
    styrene 836.0
    dioctyl adipate 978.59
    dimethyl sulfate 704.07
    ethyl butyrate 2245.17
    methyl lactate 420.87
    butyl lactate 1081.08
    diethyl carbonate 1044.55
    propanediol butyl ether 649.08
    triethyl orthoformate 1404.35
    p-tert-butyltoluene 429.78
    methyl 4-tert-butylbenzoate 1036.82
    morpholine 3223.16
    tert-butylamine 1043.75
    n-dodecanol 218.94
    dimethoxymethane 1253.02
    ethylene carbonate 1523.72
    cyrene 699.67
    2-ethoxyethyl acetate 1855.38
    2-ethylhexyl acetate 1835.35
    1,2,4-trichlorobenzene 1731.31
    4-methylpyridine 2528.79
    dibutyl ether 1841.4
    2,6-dimethyl-4-heptanol 522.28
    DEF 3005.96
    dimethyl isosorbide 1566.18
    tetrachloroethylene 3152.17
    eugenol 748.47
    triacetin 1522.27
    span 80 828.49
    1,4-butanediol 143.73
    1,1-dichloroethane 3463.94
    2-methyl-1-pentanol 736.86
    methyl formate 438.73
    2-methyl-1-butanol 988.89
    n-decane 161.07
    butyronitrile 1577.01
    3,7-dimethyl-1-octanol 589.07
    1-chlorooctane 754.46
    1-chlorotetradecane 223.51
    n-nonane 172.35
    undecane 93.14
    tert-butylcyclohexane 305.54
    cyclooctane 350.8
    cyclopentanol 1664.24
    tetrahydropyran 4490.9
    tert-amyl methyl ether 1839.41
    2,5,8-trioxanonane 1291.96
    1-hexene 1195.78
    2-isopropoxyethanol 879.74
    2,2,2-trifluoroethanol 215.78
    methyl butyrate 3090.89

    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) 0.07%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.03%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.03%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.06%
Coriander fruit (Finland) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.02%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 1.41%