Ethyl tridecanoate

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  • Identifiers

    CAS number
    28267-29-0

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCCCC(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 78.28%
    Waxy 73.65%
    Oily 72.66%
    Fruity 63.22%
    Sweet 54.03%
    Creamy 47.71%
    Winey 46.37%
    Cognac 42.29%
    Dairy 37.18%
    Coconut 34.86%

     

    Flavor
    Waxy 77.89%
    Sweet 55.47%
    Oily 54.5%
    Fruity 53.86%
    Soapy 53.23%
    Fatty 49.22%
    Coconut 44.29%
    Creamy 43.94%
    Mild 41.07%
    Clean 37.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.34 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 123.55 ˚C est.

  • Synonyms

    • Ethyl tridecanoate
    • Tridecanoic acid ethyl ester
    • Tridecanoic acid, ethyl ester
    • EINECS 248-929-2
    • n-Tridecanoic acid ethyl ester
    • AI3-36610
    • DTXSID8067369
    • ethyl tridecanoic acid
    • RefChem:139065
    • DTXCID0037786
    • 248-929-2
    • QJYYMNOTJXIOBP-UHFFFAOYSA-N
    • 28267-29-0
    • MFCD00008978
    • Ethyltridecanoate
    • Tridecanoic acid,ethyl ester
    • Ethyl tridecanoate, >=99%
    • orb2664722
    • SCHEMBL1645398
    • SCHEMBL2892144
    • SCHEMBL2892147
    • CHEBI:172102
    • AKOS015839776
    • HY-W127439
    • LS-14455
    • SY049468
    • DB-047365
    • CS-0185671
    • NS00028442
    • T0959
    • D92425
    • F626281
    • Tridecanoic acid, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)) ester
    • 28267-29-0

  • Applications

    Ethyl tridecanoate (CAS 28267-29-0) is a long-chain fatty ester commonly used in perfumery as a fragrance ingredient and solvent; in cosmetics and personal care it serves as an emollient and a carrier solvent for active ingredients; in household products it functions as a fragrance solvent and can act as a fixative in scent formulations; in industrial manufacturing it is used as a processing solvent and as an additive for coatings and inks; in polymer and plastics applications it may serve as a processing aid or softening component. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2383.84
    methanol 2045.65
    isopropanol 3046.43
    water 0.03
    ethyl acetate 5030.55
    n-propanol 2666.24
    acetone 6557.63
    n-butanol 2617.98
    acetonitrile 2697.84
    DMF 4241.69
    toluene 1726.75
    isobutanol 2405.14
    1,4-dioxane 4520.02
    methyl acetate 3075.75
    THF 7661.0
    2-butanone 5213.45
    n-pentanol 1821.59
    sec-butanol 2808.15
    n-hexane 1465.69
    ethylene glycol 88.08
    NMP 3997.69
    cyclohexane 2700.7
    DMSO 4695.28
    n-butyl acetate 4355.68
    n-octanol 909.56
    chloroform 7623.19
    n-propyl acetate 4462.96
    acetic acid 1481.51
    dichloromethane 7800.94
    cyclohexanone 8965.37
    propylene glycol 284.35
    isopropyl acetate 3717.19
    DMAc 3381.18
    2-ethoxyethanol 1989.61
    isopentanol 2686.64
    n-heptane 632.47
    ethyl formate 2020.5
    1,2-dichloroethane 6018.37
    n-hexanol 1632.15
    2-methoxyethanol 2724.54
    isobutyl acetate 2407.55
    tetrachloromethane 1661.69
    n-pentyl acetate 3114.01
    transcutol 5939.17
    n-heptanol 807.88
    ethylbenzene 1076.98
    MIBK 3065.69
    2-propoxyethanol 2137.89
    tert-butanol 3949.92
    MTBE 5544.43
    2-butoxyethanol 1529.45
    propionic acid 1701.08
    o-xylene 1101.52
    formic acid 181.02
    diethyl ether 5947.76
    m-xylene 1123.76
    p-xylene 1493.41
    chlorobenzene 2568.9
    dimethyl carbonate 613.04
    n-octane 217.18
    formamide 408.93
    cyclopentanone 6983.91
    2-pentanone 5308.2
    anisole 1726.85
    cyclopentyl methyl ether 5259.23
    gamma-butyrolactone 5513.75
    1-methoxy-2-propanol 2584.9
    pyridine 4875.78
    3-pentanone 3217.39
    furfural 3471.87
    n-dodecane 103.38
    diethylene glycol 746.79
    diisopropyl ether 1719.3
    tert-amyl alcohol 3283.36
    acetylacetone 4036.09
    n-hexadecane 130.88
    acetophenone 1714.27
    methyl propionate 2828.3
    isopentyl acetate 3598.55
    trichloroethylene 8163.61
    n-nonanol 796.79
    cyclohexanol 3820.08
    benzyl alcohol 1119.93
    2-ethylhexanol 1474.39
    isooctanol 826.77
    dipropyl ether 3166.41
    1,2-dichlorobenzene 2334.69
    ethyl lactate 878.69
    propylene carbonate 2840.0
    n-methylformamide 1705.23
    2-pentanol 2336.95
    n-pentane 805.0
    1-propoxy-2-propanol 2318.05
    1-methoxy-2-propyl acetate 2631.62
    2-(2-methoxypropoxy) propanol 1102.96
    mesitylene 834.78
    ε-caprolactone 6076.65
    p-cymene 676.06
    epichlorohydrin 5935.44
    1,1,1-trichloroethane 6212.44
    2-aminoethanol 440.8
    morpholine-4-carbaldehyde 3461.43
    sulfolane 5897.78
    2,2,4-trimethylpentane 304.95
    2-methyltetrahydrofuran 7601.39
    n-hexyl acetate 3205.04
    isooctane 230.38
    2-(2-butoxyethoxy)ethanol 1690.81
    sec-butyl acetate 3010.87
    tert-butyl acetate 3800.02
    decalin 670.76
    glycerin 326.43
    diglyme 3607.51
    acrylic acid 866.74
    isopropyl myristate 948.02
    n-butyric acid 4030.17
    acetyl acetate 2145.77
    di(2-ethylhexyl) phthalate 601.83
    ethyl propionate 3398.17
    nitromethane 3408.37
    1,2-diethoxyethane 3673.55
    benzonitrile 2033.38
    trioctyl phosphate 508.5
    1-bromopropane 5060.1
    gamma-valerolactone 7036.35
    n-decanol 490.42
    triethyl phosphate 925.93
    4-methyl-2-pentanol 1230.63
    propionitrile 2826.14
    vinylene carbonate 2154.7
    1,1,2-trichlorotrifluoroethane 2976.39
    DMS 1452.71
    cumene 694.66
    2-octanol 792.29
    2-hexanone 3855.67
    octyl acetate 1111.75
    limonene 1413.6
    1,2-dimethoxyethane 5201.04
    ethyl orthosilicate 944.8
    tributyl phosphate 724.87
    diacetone alcohol 2618.82
    N,N-dimethylaniline 1118.82
    acrylonitrile 2408.03
    aniline 1735.48
    1,3-propanediol 1005.18
    bromobenzene 3121.15
    dibromomethane 6121.0
    1,1,2,2-tetrachloroethane 7545.08
    2-methyl-cyclohexyl acetate 1794.9
    tetrabutyl urea 971.5
    diisobutyl methanol 880.19
    2-phenylethanol 1069.49
    styrene 1444.1
    dioctyl adipate 1297.75
    dimethyl sulfate 1025.35
    ethyl butyrate 3237.47
    methyl lactate 731.68
    butyl lactate 1534.38
    diethyl carbonate 1503.97
    propanediol butyl ether 1123.73
    triethyl orthoformate 1883.11
    p-tert-butyltoluene 624.62
    methyl 4-tert-butylbenzoate 1308.54
    morpholine 6831.11
    tert-butylamine 2801.65
    n-dodecanol 355.07
    dimethoxymethane 2495.73
    ethylene carbonate 2340.28
    cyrene 949.19
    2-ethoxyethyl acetate 2586.29
    2-ethylhexyl acetate 2850.61
    1,2,4-trichlorobenzene 2420.52
    4-methylpyridine 4608.48
    dibutyl ether 2982.02
    2,6-dimethyl-4-heptanol 880.19
    DEF 5162.27
    dimethyl isosorbide 2095.87
    tetrachloroethylene 4868.63
    eugenol 1006.26
    triacetin 1969.9
    span 80 1259.06
    1,4-butanediol 389.4
    1,1-dichloroethane 6505.67
    2-methyl-1-pentanol 1692.77
    methyl formate 939.71
    2-methyl-1-butanol 2413.81
    n-decane 253.82
    butyronitrile 3634.38
    3,7-dimethyl-1-octanol 994.05
    1-chlorooctane 1138.56
    1-chlorotetradecane 327.46
    n-nonane 285.3
    undecane 149.4
    tert-butylcyclohexane 504.28
    cyclooctane 584.33
    cyclopentanol 3529.4
    tetrahydropyran 9517.84
    tert-amyl methyl ether 3512.18
    2,5,8-trioxanonane 1890.7
    1-hexene 3400.19
    2-isopropoxyethanol 1755.58
    2,2,2-trifluoroethanol 409.49
    methyl butyrate 4981.97

    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