5-Tridecanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    57702-05-3

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCCC(=O)CCCC

  • Odor profile

    Fatty 56.54%
    Fruity 53.49%
    Waxy 52.04%
    Oily 48.07%
    Floral 47.48%
    Herbal 43.97%
    Jasmin 39.47%
    Dairy 39.09%
    Citrus 38.0%
    Spicy 35.92%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    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 est.
    102.7 ˚C

  • Synonyms

    • 5-Tridecanone
    • Tridecan-5-one
    • 30692-16-1
    • 9NGA9IM4WZ
    • 57702-05-3
    • EINECS 250-298-3
    • NSC-158430
    • AI3-38183
    • DTXSID00952934
    • NSC 158430
    • Tridecan5one
    • EINECS 260-910-0
    • nButyl noctyl ketone
    • NSC158430
    • UNII-9NGA9IM4WZ
    • SCHEMBL6041084
    • DTXCID201381001
    • AKOS006274343
    • NS00051621
    • F73182
    • 250-298-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6648.44
    methanol 4668.6
    isopropanol 8441.07
    water 0.04
    ethyl acetate 9185.29
    n-propanol 6900.21
    acetone 12893.43
    n-butanol 6762.26
    acetonitrile 6109.77
    DMF 6216.75
    toluene 3224.14
    isobutanol 5852.71
    1,4-dioxane 7952.92
    methyl acetate 5502.05
    THF 11070.42
    2-butanone 9293.29
    n-pentanol 4204.68
    sec-butanol 7038.04
    n-hexane 5357.58
    ethylene glycol 249.25
    NMP 4010.33
    cyclohexane 5791.39
    DMSO 5700.6
    n-butyl acetate 9762.43
    n-octanol 2274.74
    chloroform 12675.26
    n-propyl acetate 7049.16
    acetic acid 2553.79
    dichloromethane 10925.89
    cyclohexanone 13112.2
    propylene glycol 728.49
    isopropyl acetate 6390.74
    DMAc 3635.01
    2-ethoxyethanol 3223.53
    isopentanol 6321.91
    n-heptane 2374.89
    ethyl formate 3675.89
    1,2-dichloroethane 8411.52
    n-hexanol 5216.0
    2-methoxyethanol 4975.31
    isobutyl acetate 3750.6
    tetrachloromethane 2614.4
    n-pentyl acetate 4923.35
    transcutol 10913.62
    n-heptanol 2122.69
    ethylbenzene 2135.75
    MIBK 4763.67
    2-propoxyethanol 4993.91
    tert-butanol 8790.84
    MTBE 10736.4
    2-butoxyethanol 2940.57
    propionic acid 3164.4
    o-xylene 1862.7
    formic acid 304.49
    diethyl ether 12214.76
    m-xylene 1907.51
    p-xylene 2648.92
    chlorobenzene 4105.94
    dimethyl carbonate 841.82
    n-octane 740.04
    formamide 573.92
    cyclopentanone 9022.21
    2-pentanone 9533.76
    anisole 2805.11
    cyclopentyl methyl ether 7336.45
    gamma-butyrolactone 6822.88
    1-methoxy-2-propanol 4617.36
    pyridine 8265.78
    3-pentanone 5281.45
    furfural 4551.73
    n-dodecane 306.08
    diethylene glycol 1623.17
    diisopropyl ether 3540.99
    tert-amyl alcohol 6735.37
    acetylacetone 5668.8
    n-hexadecane 376.86
    acetophenone 2456.48
    methyl propionate 4383.25
    isopentyl acetate 7516.23
    trichloroethylene 11720.7
    n-nonanol 1868.24
    cyclohexanol 6958.92
    benzyl alcohol 1946.1
    2-ethylhexanol 4026.18
    isooctanol 1950.13
    dipropyl ether 7919.18
    1,2-dichlorobenzene 3429.96
    ethyl lactate 1356.72
    propylene carbonate 3891.54
    n-methylformamide 2505.6
    2-pentanol 5824.5
    n-pentane 2576.23
    1-propoxy-2-propanol 5258.27
    1-methoxy-2-propyl acetate 4417.67
    2-(2-methoxypropoxy) propanol 1914.45
    mesitylene 1391.64
    ε-caprolactone 8337.27
    p-cymene 1384.34
    epichlorohydrin 7530.2
    1,1,1-trichloroethane 9172.67
    2-aminoethanol 1022.49
    morpholine-4-carbaldehyde 4320.73
    sulfolane 6089.81
    2,2,4-trimethylpentane 673.1
    2-methyltetrahydrofuran 11378.98
    n-hexyl acetate 5422.98
    isooctane 635.38
    2-(2-butoxyethoxy)ethanol 2968.75
    sec-butyl acetate 4694.01
    tert-butyl acetate 5669.15
    decalin 1390.01
    glycerin 713.85
    diglyme 5871.46
    acrylic acid 1669.81
    isopropyl myristate 1713.6
    n-butyric acid 7830.4
    acetyl acetate 3325.74
    di(2-ethylhexyl) phthalate 978.24
    ethyl propionate 5228.58
    nitromethane 4440.66
    1,2-diethoxyethane 7529.37
    benzonitrile 3818.92
    trioctyl phosphate 860.06
    1-bromopropane 8901.98
    gamma-valerolactone 9289.09
    n-decanol 1211.51
    triethyl phosphate 1344.8
    4-methyl-2-pentanol 2791.37
    propionitrile 6371.31
    vinylene carbonate 3062.53
    1,1,2-trichlorotrifluoroethane 3825.41
    DMS 2077.42
    cumene 1318.0
    2-octanol 1934.02
    2-hexanone 6838.37
    octyl acetate 1870.68
    limonene 2826.45
    1,2-dimethoxyethane 8627.58
    ethyl orthosilicate 1451.07
    tributyl phosphate 1215.15
    diacetone alcohol 3815.68
    N,N-dimethylaniline 1738.92
    acrylonitrile 4855.99
    aniline 3109.06
    1,3-propanediol 2349.21
    bromobenzene 4747.05
    dibromomethane 9441.98
    1,1,2,2-tetrachloroethane 10074.63
    2-methyl-cyclohexyl acetate 2734.86
    tetrabutyl urea 1515.44
    diisobutyl methanol 2245.83
    2-phenylethanol 2166.78
    styrene 2920.29
    dioctyl adipate 2027.36
    dimethyl sulfate 1133.56
    ethyl butyrate 5893.78
    methyl lactate 1133.25
    butyl lactate 2522.54
    diethyl carbonate 2637.85
    propanediol butyl ether 2092.51
    triethyl orthoformate 3315.85
    p-tert-butyltoluene 1276.87
    methyl 4-tert-butylbenzoate 1781.83
    morpholine 11370.0
    tert-butylamine 6543.31
    n-dodecanol 874.38
    dimethoxymethane 3942.0
    ethylene carbonate 3385.44
    cyrene 1203.67
    2-ethoxyethyl acetate 3938.23
    2-ethylhexyl acetate 5731.3
    1,2,4-trichlorobenzene 3446.74
    4-methylpyridine 7890.15
    dibutyl ether 6817.72
    2,6-dimethyl-4-heptanol 2245.83
    DEF 7506.63
    dimethyl isosorbide 2880.21
    tetrachloroethylene 6682.21
    eugenol 1585.88
    triacetin 2675.35
    span 80 2114.42
    1,4-butanediol 834.9
    1,1-dichloroethane 10639.06
    2-methyl-1-pentanol 3619.26
    methyl formate 1491.51
    2-methyl-1-butanol 5337.57
    n-decane 733.69
    butyronitrile 8620.51
    3,7-dimethyl-1-octanol 2436.68
    1-chlorooctane 2364.99
    1-chlorotetradecane 706.11
    n-nonane 876.19
    undecane 445.78
    tert-butylcyclohexane 1212.64
    cyclooctane 1377.55
    cyclopentanol 5748.76
    tetrahydropyran 16624.58
    tert-amyl methyl ether 5942.65
    2,5,8-trioxanonane 3064.99
    1-hexene 10466.23
    2-isopropoxyethanol 2860.81
    2,2,2-trifluoroethanol 557.84
    methyl butyrate 7809.19

    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
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.1%