Ethyl heptadecanoate

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  • Identifiers

    CAS number
    14010-23-2

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCCCCCCC(=O)OCC

    Retention indicies (RI)

    • Carbowax: 2319.0

  • Odor profile

    Waxy 77.72%
    Fatty 75.05%
    Oily 65.92%
    Sweet 42.59%
    Creamy 38.86%
    Fruity 32.72%
    Dairy 29.31%
    Odorless 25.51%
    Soapy 24.78%
    Coconut 23.83%

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  • Properties

    XLogP3-AA
    8.4

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point est.
    154.93 ˚C

  • Synonyms

    • Ethyl heptadecanoate
    • 14010-23-2
    • Heptadecanoic acid, ethyl ester
    • ETHYL MARGARATE
    • Ethyl n-heptadecanoate
    • EINECS 237-822-6
    • Heptadecanoic Acid Ethyl Ester
    • DTXSID10161232
    • NSC 137831
    • MFCD00026658
    • Margaric Acid Ethyl Ester
    • n-Heptadecanoic acid ethyl ester
    • Ethylheptadecanoate
    • SCHEMBL346642
    • DTXCID8083723
    • Ethyl heptadecanoate, AldrichCPR
    • NSC137831
    • AKOS015839865
    • HY-W127374
    • NSC-137831
    • AS-60563
    • DB-042506
    • CS-0185611
    • H0526
    • NS00024541
    • H11957
    • 237-822-6

  • Applications

    Ethyl heptadecanoate (CAS 14010-23-2) is a long-chain, hydrophobic, slow-evaporating ethyl ester used as a fragrance/flavor ingredient providing waxy–fatty notes and acting as a fixative; as a skin-conditioning emollient, oil carrier and slip enhancer that helps solubilize lipophilic actives in personal care, color cosmetics and sunscreens; as a biodegradable lubricity and friction-reducing additive that improves spreading in lubricants, metalworking fluids, and solvent-borne inks/coatings; as a carrier/solvent for hydrophobic agrochemical actives; as a versatile intermediate for transesterification, amidation and C17 chain introduction to make surfactants, wax esters and specialty oils; and as a laboratory material serving as a GC–MS standard or internal standard, retention-index calibrant, model substrate for lipase-catalyzed hydrolysis/esterification, and a component/reference in research, quality control and characterization of FAEE biodiesel.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.27
    methanol 139.24
    isopropanol 257.34
    water 0.02
    ethyl acetate 1297.16
    n-propanol 251.19
    acetone 769.23
    n-butanol 323.24
    acetonitrile 325.87
    DMF 1044.51
    toluene 463.36
    isobutanol 295.74
    1,4-dioxane 1034.67
    methyl acetate 686.59
    THF 2267.75
    2-butanone 1046.94
    n-pentanol 230.07
    sec-butanol 348.49
    n-hexane 188.5
    ethylene glycol 8.95
    NMP 1997.72
    cyclohexane 890.95
    DMSO 1023.26
    n-butyl acetate 1349.52
    n-octanol 268.65
    chloroform 2652.1
    n-propyl acetate 1429.93
    acetic acid 256.81
    dichloromethane 2829.86
    cyclohexanone 3052.13
    propylene glycol 34.03
    isopropyl acetate 1162.65
    DMAc 1492.53
    2-ethoxyethanol 408.81
    isopentanol 427.74
    n-heptane 185.17
    ethyl formate 479.82
    1,2-dichloroethane 2070.76
    n-hexanol 241.37
    2-methoxyethanol 450.68
    isobutyl acetate 892.63
    tetrachloromethane 691.38
    n-pentyl acetate 1564.69
    transcutol 1973.72
    n-heptanol 222.66
    ethylbenzene 351.12
    MIBK 1064.76
    2-propoxyethanol 460.33
    tert-butanol 490.0
    MTBE 1007.67
    2-butoxyethanol 530.08
    propionic acid 321.95
    o-xylene 413.43
    formic acid 34.5
    diethyl ether 901.84
    m-xylene 364.88
    p-xylene 555.12
    chlorobenzene 866.42
    dimethyl carbonate 208.31
    n-octane 74.84
    formamide 89.32
    cyclopentanone 2583.37
    2-pentanone 1229.19
    anisole 660.88
    cyclopentyl methyl ether 1614.6
    gamma-butyrolactone 2210.4
    1-methoxy-2-propanol 548.95
    pyridine 1309.59
    3-pentanone 994.97
    furfural 1340.08
    n-dodecane 37.27
    diethylene glycol 141.83
    diisopropyl ether 456.82
    tert-amyl alcohol 554.2
    acetylacetone 1333.52
    n-hexadecane 48.67
    acetophenone 808.32
    methyl propionate 799.91
    isopentyl acetate 1235.34
    trichloroethylene 3047.19
    n-nonanol 274.22
    cyclohexanol 842.04
    benzyl alcohol 344.53
    2-ethylhexanol 341.89
    isooctanol 266.96
    dipropyl ether 966.18
    1,2-dichlorobenzene 1058.52
    ethyl lactate 340.57
    propylene carbonate 1243.24
    n-methylformamide 321.4
    2-pentanol 333.43
    n-pentane 114.1
    1-propoxy-2-propanol 596.39
    1-methoxy-2-propyl acetate 986.8
    2-(2-methoxypropoxy) propanol 462.92
    mesitylene 309.81
    ε-caprolactone 2336.6
    p-cymene 289.73
    epichlorohydrin 2135.39
    1,1,1-trichloroethane 2339.47
    2-aminoethanol 49.25
    morpholine-4-carbaldehyde 1426.79
    sulfolane 2970.37
    2,2,4-trimethylpentane 96.79
    2-methyltetrahydrofuran 2067.87
    n-hexyl acetate 1404.87
    isooctane 60.77
    2-(2-butoxyethoxy)ethanol 651.3
    sec-butyl acetate 1094.63
    tert-butyl acetate 1438.36
    decalin 239.02
    glycerin 57.57
    diglyme 1564.77
    acrylic acid 190.15
    isopropyl myristate 452.59
    n-butyric acid 897.22
    acetyl acetate 721.52
    di(2-ethylhexyl) phthalate 283.34
    ethyl propionate 1213.93
    nitromethane 742.69
    1,2-diethoxyethane 1265.7
    benzonitrile 627.36
    trioctyl phosphate 229.31
    1-bromopropane 1356.56
    gamma-valerolactone 2803.6
    n-decanol 171.62
    triethyl phosphate 519.13
    4-methyl-2-pentanol 254.69
    propionitrile 457.8
    vinylene carbonate 879.88
    1,1,2-trichlorotrifluoroethane 1149.6
    DMS 645.64
    cumene 253.54
    2-octanol 254.73
    2-hexanone 1092.91
    octyl acetate 521.16
    limonene 630.74
    1,2-dimethoxyethane 1467.19
    ethyl orthosilicate 513.54
    tributyl phosphate 337.52
    diacetone alcohol 917.77
    N,N-dimethylaniline 472.68
    acrylonitrile 428.13
    aniline 429.75
    1,3-propanediol 132.38
    bromobenzene 1108.52
    dibromomethane 1977.19
    1,1,2,2-tetrachloroethane 3041.32
    2-methyl-cyclohexyl acetate 904.53
    tetrabutyl urea 513.17
    diisobutyl methanol 282.92
    2-phenylethanol 323.8
    styrene 443.89
    dioctyl adipate 669.58
    dimethyl sulfate 468.56
    ethyl butyrate 1365.21
    methyl lactate 232.93
    butyl lactate 703.86
    diethyl carbonate 648.17
    propanediol butyl ether 376.96
    triethyl orthoformate 919.72
    p-tert-butyltoluene 263.59
    methyl 4-tert-butylbenzoate 765.47
    morpholine 1510.04
    tert-butylamine 383.09
    n-dodecanol 124.39
    dimethoxymethane 634.49
    ethylene carbonate 922.15
    cyrene 499.8
    2-ethoxyethyl acetate 1256.61
    2-ethylhexyl acetate 1108.14
    1,2,4-trichlorobenzene 1149.57
    4-methylpyridine 1313.85
    dibutyl ether 1064.96
    2,6-dimethyl-4-heptanol 282.92
    DEF 1599.75
    dimethyl isosorbide 1124.04
    tetrachloroethylene 1964.52
    eugenol 522.27
    triacetin 1113.59
    span 80 510.42
    1,4-butanediol 57.12
    1,1-dichloroethane 1802.89
    2-methyl-1-pentanol 317.2
    methyl formate 215.04
    2-methyl-1-butanol 380.07
    n-decane 94.31
    butyronitrile 635.8
    3,7-dimethyl-1-octanol 325.4
    1-chlorooctane 460.64
    1-chlorotetradecane 135.23
    n-nonane 96.79
    undecane 54.17
    tert-butylcyclohexane 169.57
    cyclooctane 191.61
    cyclopentanol 749.94
    tetrahydropyran 2073.71
    tert-amyl methyl ether 909.23
    2,5,8-trioxanonane 858.4
    1-hexene 413.97
    2-isopropoxyethanol 412.67
    2,2,2-trifluoroethanol 124.17
    methyl butyrate 1699.23

    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
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.04%
Mandarin leaf (Petitgrain mandarin.) (Israel) 2 Citrus reticulata Blanco, cultivar Yussuf Effendy, fam. Rutaceae 0.09%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.07%
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 0.31%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.08%
Indian curry leaf tree (flower) Murraya koenigii Spreng., fam. Rutaceae 0.2%