3-Tridecanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1534-26-5

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCCCCC(=O)CC

    Retention indicies (RI)

    • DB5: 1481.0

  • Odor profile

    Fatty 72.39%
    Waxy 67.96%
    Fruity 63.45%
    Floral 58.78%
    Oily 51.77%
    Citrus 47.96%
    Orange 46.64%
    Fresh 42.93%
    Dairy 42.29%
    Creamy 39.83%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.45 (weak base)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point est.
    102.68 ˚C

  • Synonyms

    • 3-TRIDECANONE
    • Tridecan-3-one
    • 1534-26-5
    • Ethyl n-decyl ketone
    • EINECS 216-253-7
    • NY4J47D8VZ
    • NSC-158431
    • AI3-38182
    • CHEMBL1922862
    • DTXSID90165319
    • NSC 158431
    • n-DECYL ETHYL KETONE
    • Tridecan3one
    • Ethyl ndecyl ketone
    • nDecyl ethyl ketone
    • NSC158431
    • UNII-NY4J47D8VZ
    • SCHEMBL632531
    • DTXCID0087810
    • BDBM50358400
    • LMFA12000172
    • MFCD00026544
    • AKOS009157789
    • NS00048233

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6112.69
    methanol 4050.15
    isopropanol 7753.24
    water 0.03
    ethyl acetate 10954.2
    n-propanol 6509.08
    acetone 13097.51
    n-butanol 6398.52
    acetonitrile 6676.91
    DMF 5343.21
    toluene 3410.57
    isobutanol 5203.5
    1,4-dioxane 9110.66
    methyl acetate 6261.66
    THF 12036.93
    2-butanone 10364.78
    n-pentanol 4320.53
    sec-butanol 6808.41
    n-hexane 5367.19
    ethylene glycol 183.45
    NMP 3768.05
    cyclohexane 5668.66
    DMSO 5454.07
    n-butyl acetate 10681.9
    n-octanol 2160.99
    chloroform 13107.15
    n-propyl acetate 8876.47
    acetic acid 2273.49
    dichloromethane 12545.84
    cyclohexanone 13871.68
    propylene glycol 574.78
    isopropyl acetate 7616.06
    DMAc 3689.1
    2-ethoxyethanol 3679.07
    isopentanol 6232.49
    n-heptane 2361.96
    ethyl formate 3733.08
    1,2-dichloroethane 9150.07
    n-hexanol 4856.85
    2-methoxyethanol 5068.62
    isobutyl acetate 4441.15
    tetrachloromethane 2854.2
    n-pentyl acetate 5667.98
    transcutol 12639.71
    n-heptanol 2066.38
    ethylbenzene 2248.21
    MIBK 5266.58
    2-propoxyethanol 5169.53
    tert-butanol 8904.26
    MTBE 12623.24
    2-butoxyethanol 3072.76
    propionic acid 2925.95
    o-xylene 1890.78
    formic acid 252.79
    diethyl ether 15240.16
    m-xylene 1982.98
    p-xylene 2821.62
    chlorobenzene 4239.93
    dimethyl carbonate 805.92
    n-octane 703.73
    formamide 522.12
    cyclopentanone 9064.34
    2-pentanone 10660.29
    anisole 3190.81
    cyclopentyl methyl ether 8336.59
    gamma-butyrolactone 6890.91
    1-methoxy-2-propanol 4686.39
    pyridine 8647.12
    3-pentanone 5895.49
    furfural 4532.59
    n-dodecane 276.63
    diethylene glycol 1504.85
    diisopropyl ether 4171.26
    tert-amyl alcohol 7028.58
    acetylacetone 6316.52
    n-hexadecane 344.06
    acetophenone 2731.89
    methyl propionate 4841.35
    isopentyl acetate 8339.99
    trichloroethylene 12143.14
    n-nonanol 1817.24
    cyclohexanol 6689.63
    benzyl alcohol 1976.22
    2-ethylhexanol 4142.6
    isooctanol 2000.31
    dipropyl ether 9245.53
    1,2-dichlorobenzene 3535.15
    ethyl lactate 1436.84
    propylene carbonate 3928.31
    n-methylformamide 2288.39
    2-pentanol 5557.89
    n-pentane 2465.55
    1-propoxy-2-propanol 5426.69
    1-methoxy-2-propyl acetate 5053.79
    2-(2-methoxypropoxy) propanol 1959.69
    mesitylene 1411.65
    ε-caprolactone 9365.72
    p-cymene 1433.38
    epichlorohydrin 8184.46
    1,1,1-trichloroethane 10094.89
    2-aminoethanol 856.66
    morpholine-4-carbaldehyde 4705.44
    sulfolane 5988.33
    2,2,4-trimethylpentane 704.87
    2-methyltetrahydrofuran 13508.68
    n-hexyl acetate 5825.94
    isooctane 627.29
    2-(2-butoxyethoxy)ethanol 3115.21
    sec-butyl acetate 5759.68
    tert-butyl acetate 6807.39
    decalin 1456.99
    glycerin 577.32
    diglyme 6357.88
    acrylic acid 1425.51
    isopropyl myristate 1731.83
    n-butyric acid 7502.73
    acetyl acetate 3678.26
    di(2-ethylhexyl) phthalate 964.24
    ethyl propionate 6371.38
    nitromethane 4569.6
    1,2-diethoxyethane 9659.14
    benzonitrile 3888.5
    trioctyl phosphate 819.74
    1-bromopropane 9884.76
    gamma-valerolactone 9779.87
    n-decanol 1137.93
    triethyl phosphate 1559.56
    4-methyl-2-pentanol 2703.46
    propionitrile 6841.16
    vinylene carbonate 3014.02
    1,1,2-trichlorotrifluoroethane 3949.47
    DMS 2232.61
    cumene 1371.03
    2-octanol 1894.03
    2-hexanone 7975.94
    octyl acetate 1864.71
    limonene 2920.77
    1,2-dimethoxyethane 10308.68
    ethyl orthosilicate 1742.0
    tributyl phosphate 1229.68
    diacetone alcohol 4163.87
    N,N-dimethylaniline 1874.89
    acrylonitrile 4941.44
    aniline 3187.62
    1,3-propanediol 2052.34
    bromobenzene 4992.34
    dibromomethane 10517.29
    1,1,2,2-tetrachloroethane 10721.07
    2-methyl-cyclohexyl acetate 3128.03
    tetrabutyl urea 1502.71
    diisobutyl methanol 2261.07
    2-phenylethanol 2176.24
    styrene 3124.05
    dioctyl adipate 2075.33
    dimethyl sulfate 1102.86
    ethyl butyrate 7105.78
    methyl lactate 1050.81
    butyl lactate 2563.29
    diethyl carbonate 3108.24
    propanediol butyl ether 1962.21
    triethyl orthoformate 3999.77
    p-tert-butyltoluene 1313.68
    methyl 4-tert-butylbenzoate 1813.29
    morpholine 12739.93
    tert-butylamine 6834.92
    n-dodecanol 817.37
    dimethoxymethane 3921.19
    ethylene carbonate 3454.24
    cyrene 1222.9
    2-ethoxyethyl acetate 4611.48
    2-ethylhexyl acetate 6452.46
    1,2,4-trichlorobenzene 3560.4
    4-methylpyridine 8658.23
    dibutyl ether 7652.12
    2,6-dimethyl-4-heptanol 2261.07
    DEF 8408.25
    dimethyl isosorbide 3059.97
    tetrachloroethylene 7089.97
    eugenol 1553.87
    triacetin 2805.81
    span 80 2074.37
    1,4-butanediol 726.98
    1,1-dichloroethane 11369.09
    2-methyl-1-pentanol 3895.49
    methyl formate 1301.42
    2-methyl-1-butanol 5310.35
    n-decane 700.68
    butyronitrile 9037.29
    3,7-dimethyl-1-octanol 2512.38
    1-chlorooctane 2417.74
    1-chlorotetradecane 669.79
    n-nonane 832.2
    undecane 407.71
    tert-butylcyclohexane 1288.32
    cyclooctane 1361.04
    cyclopentanol 5235.7
    tetrahydropyran 18781.16
    tert-amyl methyl ether 7180.68
    2,5,8-trioxanonane 3135.6
    1-hexene 11376.31
    2-isopropoxyethanol 3310.6
    2,2,2-trifluoroethanol 501.09
    methyl butyrate 9291.99

    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
Eugenia burkartiana leaf (Brazil) Eugenia burkartiana D. Legrand, fam. Myrtaceae 4.0%