Butyl tridecanoate

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  • Identifiers

    CAS number
    28267-31-4

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCCC(=O)OCCCC

  • Odor profile

    Fragrance
    Oily 75.12%
    Fatty 74.92%
    Waxy 67.52%
    Fruity 62.85%
    Winey 48.88%
    Cognac 45.54%
    Sweet 43.31%
    Creamy 42.17%
    Floral 38.04%
    Brandy 33.63%

     

    Flavor
    Waxy 74.19%
    Oily 55.38%
    Fruity 54.97%
    Sweet 50.48%
    Soapy 50.45%
    Fatty 49.34%
    Creamy 41.68%
    Coconut 41.67%
    Mild 40.03%
    Clean 36.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    6.95 (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

    • 139.73 ˚C est.

  • Synonyms

    • Butyl tridecanoate
    • 28267-31-4
    • EINECS 248-931-3
    • Tridecanoic acid, butyl ester
    • SCHEMBL2832736
    • DTXSID80182515
    • NS00028443

  • Applications

    Butyl tridecanoate (CAS 28267-31-4) is commonly used in perfumery and cosmetic formulations as a fragrance solvent and odorant carrier, with subtle fixative-like properties that help stabilize and modulate scent release. It also serves as an emollient and oil component in cosmetics and personal care products, delivering slip and moisturizing feel. In industrial manufacturing, it can act as a plasticizer or processing aid for polymers and coatings, improving flexibility and processability. It may be employed as a solvent or carrier in coatings and inks, and as an intermediate in fragrance synthesis or organic synthesis for formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1998.79
    methanol 1479.05
    isopropanol 2708.75
    water 0.04
    ethyl acetate 5940.34
    n-propanol 2375.36
    acetone 5728.74
    n-butanol 2573.59
    acetonitrile 2254.24
    DMF 4025.39
    toluene 1926.97
    isobutanol 2316.12
    1,4-dioxane 4495.85
    methyl acetate 3274.58
    THF 7828.61
    2-butanone 5191.8
    n-pentanol 1738.22
    sec-butanol 2741.53
    n-hexane 1298.4
    ethylene glycol 60.08
    NMP 4607.13
    cyclohexane 3380.85
    DMSO 4123.16
    n-butyl acetate 5326.39
    n-octanol 1148.45
    chloroform 7908.19
    n-propyl acetate 5578.49
    acetic acid 1455.79
    dichloromethane 8216.38
    cyclohexanone 10538.38
    propylene glycol 218.91
    isopropyl acetate 4695.19
    DMAc 3932.39
    2-ethoxyethanol 1926.47
    isopentanol 2828.75
    n-heptane 788.37
    ethyl formate 2217.49
    1,2-dichloroethane 6728.89
    n-hexanol 1551.14
    2-methoxyethanol 2414.1
    isobutyl acetate 3043.47
    tetrachloromethane 1822.09
    n-pentyl acetate 4589.99
    transcutol 7029.33
    n-heptanol 1034.95
    ethylbenzene 1268.13
    MIBK 3758.83
    2-propoxyethanol 2121.22
    tert-butanol 3534.07
    MTBE 5419.5
    2-butoxyethanol 1876.99
    propionic acid 1746.55
    o-xylene 1362.91
    formic acid 162.06
    diethyl ether 5642.68
    m-xylene 1303.06
    p-xylene 1936.49
    chlorobenzene 2981.84
    dimethyl carbonate 677.01
    n-octane 293.93
    formamide 398.08
    cyclopentanone 7783.27
    2-pentanone 5849.2
    anisole 2007.89
    cyclopentyl methyl ether 5427.58
    gamma-butyrolactone 6162.43
    1-methoxy-2-propanol 2518.27
    pyridine 5408.54
    3-pentanone 3739.43
    furfural 3926.66
    n-dodecane 132.09
    diethylene glycol 667.12
    diisopropyl ether 1968.2
    tert-amyl alcohol 3195.0
    acetylacetone 4517.11
    n-hexadecane 167.45
    acetophenone 2180.16
    methyl propionate 3166.56
    isopentyl acetate 4551.65
    trichloroethylene 9432.51
    n-nonanol 1028.96
    cyclohexanol 4121.01
    benzyl alcohol 1209.12
    2-ethylhexanol 1622.95
    isooctanol 1068.67
    dipropyl ether 3648.47
    1,2-dichlorobenzene 2824.26
    ethyl lactate 1063.56
    propylene carbonate 3554.88
    n-methylformamide 1620.21
    2-pentanol 2506.89
    n-pentane 804.32
    1-propoxy-2-propanol 2537.5
    1-methoxy-2-propyl acetate 3135.83
    2-(2-methoxypropoxy) propanol 1280.18
    mesitylene 946.22
    ε-caprolactone 7476.07
    p-cymene 865.67
    epichlorohydrin 6492.56
    1,1,1-trichloroethane 6867.0
    2-aminoethanol 339.53
    morpholine-4-carbaldehyde 3983.37
    sulfolane 6433.86
    2,2,4-trimethylpentane 360.77
    2-methyltetrahydrofuran 7826.64
    n-hexyl acetate 4342.33
    isooctane 266.62
    2-(2-butoxyethoxy)ethanol 2029.05
    sec-butyl acetate 3932.99
    tert-butyl acetate 4692.29
    decalin 793.73
    glycerin 259.92
    diglyme 4579.63
    acrylic acid 872.13
    isopropyl myristate 1255.17
    n-butyric acid 4683.92
    acetyl acetate 2569.61
    di(2-ethylhexyl) phthalate 739.43
    ethyl propionate 4287.48
    nitromethane 3317.58
    1,2-diethoxyethane 4547.81
    benzonitrile 2365.77
    trioctyl phosphate 631.1
    1-bromopropane 5367.61
    gamma-valerolactone 8271.94
    n-decanol 627.76
    triethyl phosphate 1181.99
    4-methyl-2-pentanol 1408.77
    propionitrile 2697.97
    vinylene carbonate 2668.2
    1,1,2-trichlorotrifluoroethane 3087.43
    DMS 1823.3
    cumene 834.32
    2-octanol 1049.35
    2-hexanone 4295.21
    octyl acetate 1475.07
    limonene 1864.28
    1,2-dimethoxyethane 5322.47
    ethyl orthosilicate 1224.19
    tributyl phosphate 919.3
    diacetone alcohol 3037.68
    N,N-dimethylaniline 1361.32
    acrylonitrile 2248.77
    aniline 1798.8
    1,3-propanediol 908.2
    bromobenzene 3622.67
    dibromomethane 6311.55
    1,1,2,2-tetrachloroethane 8498.59
    2-methyl-cyclohexyl acetate 2318.87
    tetrabutyl urea 1261.67
    diisobutyl methanol 1083.65
    2-phenylethanol 1183.89
    styrene 1698.68
    dioctyl adipate 1654.01
    dimethyl sulfate 1113.16
    ethyl butyrate 4421.27
    methyl lactate 787.09
    butyl lactate 2048.18
    diethyl carbonate 1960.84
    propanediol butyl ether 1305.72
    triethyl orthoformate 2500.73
    p-tert-butyltoluene 776.76
    methyl 4-tert-butylbenzoate 1761.3
    morpholine 6831.25
    tert-butylamine 2551.65
    n-dodecanol 447.52
    dimethoxymethane 2489.78
    ethylene carbonate 2944.23
    cyrene 1056.75
    2-ethoxyethyl acetate 3520.05
    2-ethylhexyl acetate 3698.3
    1,2,4-trichlorobenzene 2959.84
    4-methylpyridine 5368.44
    dibutyl ether 3989.49
    2,6-dimethyl-4-heptanol 1083.65
    DEF 5935.98
    dimethyl isosorbide 2431.85
    tetrachloroethylene 5387.5
    eugenol 1289.68
    triacetin 2601.25
    span 80 1471.41
    1,4-butanediol 341.99
    1,1-dichloroethane 6900.64
    2-methyl-1-pentanol 1729.38
    methyl formate 917.86
    2-methyl-1-butanol 2409.41
    n-decane 338.0
    butyronitrile 3731.43
    3,7-dimethyl-1-octanol 1279.44
    1-chlorooctane 1488.14
    1-chlorotetradecane 411.69
    n-nonane 370.28
    undecane 192.46
    tert-butylcyclohexane 578.68
    cyclooctane 705.98
    cyclopentanol 3519.96
    tetrahydropyran 9882.0
    tert-amyl methyl ether 3567.14
    2,5,8-trioxanonane 2223.57
    1-hexene 2952.41
    2-isopropoxyethanol 1768.76
    2,2,2-trifluoroethanol 423.51
    methyl butyrate 6317.4

    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