6-Tridecanone

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  • Identifiers

    CAS number
    22026-12-6

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCC(=O)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 59.37%
    Fruity 53.99%
    Waxy 52.68%
    Oily 48.41%
    Herbal 44.03%
    Floral 43.56%
    Dairy 41.78%
    Citrus 39.37%
    Earthy 38.66%
    Mushroom 37.18%

     

    Flavor
    Herbal 46.97%
    Fatty 46.75%
    Waxy 42.15%
    Fresh 37.99%
    Fruity 36.12%
    Floral 35.65%
    Fat 34.27%
    Oily 32.23%
    Mushroom 31.93%
    Coconut 31.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.26 (weak base)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 101.81 ˚C est.

  • Synonyms

    • 6-Tridecanone
    • Tridecan6one
    • nHeptyl npentyl ketone
    • RefChem:544371
    • Tridecan-6-one
    • 22026-12-6
    • n-Amyl n-heptyl ketone
    • NSC-158514
    • AI3-38184
    • 8-Tridecanone
    • NSC158514
    • BX4NSZ89QX
    • SCHEMBL1360968
    • SCHEMBL3212902
    • SCHEMBL3423594
    • SCHEMBL5583898
    • SCHEMBL7839285
    • DTXSID60176492
    • EINECS 244-728-9
    • AKOS006228078
    • NSC 158514
    • NS00027028
    • 22026-12-6

  • Applications

    6-Tridecanone (CAS 22026-12-6) is a long-chain ketone primarily used in fragrance applications; in perfumery it may act as an odorant with musk-like notes and may serve as a mild fixative to extend fragrance longevity. It is also employed in cosmetics and personal care formulations as a fragrance ingredient, and in household products such as air fresheners and cleaners to impart a persistent scent. In industrial manufacturing, 6-Tridecanone may be used as a synthetic intermediate in organic synthesis. Additionally, it may be evaluated for use in flavor/aroma formulations where permitted by regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7709.2
    methanol 5379.16
    isopropanol 9533.68
    water 0.04
    ethyl acetate 12515.06
    n-propanol 7744.26
    acetone 17920.88
    n-butanol 7583.77
    acetonitrile 7982.69
    DMF 7880.92
    toluene 4277.47
    isobutanol 6624.68
    1,4-dioxane 10009.02
    methyl acetate 7143.56
    THF 15032.12
    2-butanone 11727.05
    n-pentanol 4607.82
    sec-butanol 7819.59
    n-hexane 6393.19
    ethylene glycol 273.77
    NMP 5819.89
    cyclohexane 7823.66
    DMSO 7366.58
    n-butyl acetate 12636.31
    n-octanol 2531.31
    chloroform 15796.36
    n-propyl acetate 8750.78
    acetic acid 3403.18
    dichloromethane 14334.04
    cyclohexanone 17805.51
    propylene glycol 819.95
    isopropyl acetate 8562.72
    DMAc 4601.67
    2-ethoxyethanol 3630.48
    isopentanol 7120.72
    n-heptane 2990.47
    ethyl formate 4725.73
    1,2-dichloroethane 11231.1
    n-hexanol 5834.78
    2-methoxyethanol 5991.65
    isobutyl acetate 4496.01
    tetrachloromethane 3342.49
    n-pentyl acetate 6296.81
    transcutol 13246.73
    n-heptanol 2333.28
    ethylbenzene 2563.68
    MIBK 6064.29
    2-propoxyethanol 5755.08
    tert-butanol 10064.5
    MTBE 12904.63
    2-butoxyethanol 3339.38
    propionic acid 3951.22
    o-xylene 2374.31
    formic acid 384.93
    diethyl ether 15680.05
    m-xylene 2499.7
    p-xylene 3301.34
    chlorobenzene 5315.01
    dimethyl carbonate 1118.39
    n-octane 875.52
    formamide 799.17
    cyclopentanone 12442.07
    2-pentanone 12609.69
    anisole 3345.08
    cyclopentyl methyl ether 10042.79
    gamma-butyrolactone 9663.52
    1-methoxy-2-propanol 5400.04
    pyridine 10738.6
    3-pentanone 7092.01
    furfural 5959.77
    n-dodecane 353.62
    diethylene glycol 1860.9
    diisopropyl ether 4614.08
    tert-amyl alcohol 7744.6
    acetylacetone 8041.78
    n-hexadecane 438.29
    acetophenone 2993.48
    methyl propionate 5854.23
    isopentyl acetate 9622.64
    trichloroethylene 15665.94
    n-nonanol 2079.81
    cyclohexanol 8834.14
    benzyl alcohol 2202.03
    2-ethylhexanol 4715.6
    isooctanol 2150.67
    dipropyl ether 9574.87
    1,2-dichlorobenzene 4334.49
    ethyl lactate 1562.51
    propylene carbonate 5292.78
    n-methylformamide 3369.14
    2-pentanol 6528.64
    n-pentane 3253.54
    1-propoxy-2-propanol 6278.63
    1-methoxy-2-propyl acetate 5914.25
    2-(2-methoxypropoxy) propanol 2220.58
    mesitylene 1744.68
    ε-caprolactone 11242.59
    p-cymene 1730.31
    epichlorohydrin 9881.77
    1,1,1-trichloroethane 12124.22
    2-aminoethanol 1149.35
    morpholine-4-carbaldehyde 5758.42
    sulfolane 8592.23
    2,2,4-trimethylpentane 812.14
    2-methyltetrahydrofuran 15178.01
    n-hexyl acetate 6917.57
    isooctane 758.8
    2-(2-butoxyethoxy)ethanol 3495.29
    sec-butyl acetate 5870.28
    tert-butyl acetate 7490.83
    decalin 1743.39
    glycerin 788.49
    diglyme 7038.6
    acrylic acid 2115.04
    isopropyl myristate 2092.8
    n-butyric acid 9719.51
    acetyl acetate 4607.72
    di(2-ethylhexyl) phthalate 1167.25
    ethyl propionate 6521.15
    nitromethane 6262.12
    1,2-diethoxyethane 9686.82
    benzonitrile 4631.51
    trioctyl phosphate 1026.76
    1-bromopropane 11220.96
    gamma-valerolactone 12382.16
    n-decanol 1343.88
    triethyl phosphate 1667.93
    4-methyl-2-pentanol 3149.03
    propionitrile 7545.33
    vinylene carbonate 4079.72
    1,1,2-trichlorotrifluoroethane 4880.38
    DMS 2780.56
    cumene 1527.06
    2-octanol 2181.31
    2-hexanone 8172.93
    octyl acetate 2278.53
    limonene 3653.05
    1,2-dimethoxyethane 9879.65
    ethyl orthosilicate 1825.28
    tributyl phosphate 1507.02
    diacetone alcohol 4885.93
    N,N-dimethylaniline 2059.38
    acrylonitrile 5873.42
    aniline 3991.1
    1,3-propanediol 2713.33
    bromobenzene 6271.18
    dibromomethane 12221.52
    1,1,2,2-tetrachloroethane 13003.55
    2-methyl-cyclohexyl acetate 3447.55
    tetrabutyl urea 1875.9
    diisobutyl methanol 2623.76
    2-phenylethanol 2563.02
    styrene 3490.06
    dioctyl adipate 2476.32
    dimethyl sulfate 1573.97
    ethyl butyrate 7678.57
    methyl lactate 1420.53
    butyl lactate 3100.04
    diethyl carbonate 3338.02
    propanediol butyl ether 2375.74
    triethyl orthoformate 4204.09
    p-tert-butyltoluene 1604.31
    methyl 4-tert-butylbenzoate 2155.33
    morpholine 13949.92
    tert-butylamine 7843.64
    n-dodecanol 978.75
    dimethoxymethane 5114.45
    ethylene carbonate 4538.75
    cyrene 1415.03
    2-ethoxyethyl acetate 5154.72
    2-ethylhexyl acetate 7434.19
    1,2,4-trichlorobenzene 4433.05
    4-methylpyridine 10154.26
    dibutyl ether 8561.16
    2,6-dimethyl-4-heptanol 2623.76
    DEF 9998.39
    dimethyl isosorbide 3584.29
    tetrachloroethylene 8426.46
    eugenol 1817.25
    triacetin 3420.23
    span 80 2459.59
    1,4-butanediol 899.9
    1,1-dichloroethane 13642.06
    2-methyl-1-pentanol 3996.44
    methyl formate 1964.33
    2-methyl-1-butanol 6069.17
    n-decane 852.16
    butyronitrile 10491.63
    3,7-dimethyl-1-octanol 2833.46
    1-chlorooctane 2860.74
    1-chlorotetradecane 815.45
    n-nonane 1020.29
    undecane 511.9
    tert-butylcyclohexane 1452.8
    cyclooctane 1781.75
    cyclopentanol 7174.22
    tetrahydropyran 21424.46
    tert-amyl methyl ether 7268.17
    2,5,8-trioxanonane 3569.6
    1-hexene 11935.79
    2-isopropoxyethanol 3242.69
    2,2,2-trifluoroethanol 745.94
    methyl butyrate 9979.54

    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