7-Tridecanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    462-18-0

    Molecular formula
    C13H26O

    SMILES
    CCCCCCC(=O)CCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 58.27%
    Fruity 53.51%
    Waxy 52.59%
    Oily 49.26%
    Floral 46.17%
    Herbal 45.34%
    Dairy 40.72%
    Citrus 39.55%
    Earthy 39.31%
    Jasmin 38.65%

     

    Flavor
    Herbal 47.69%
    Fatty 45.22%
    Waxy 40.76%
    Fresh 37.03%
    Floral 35.05%
    Fruity 34.85%
    Fat 33.66%
    Oily 31.63%
    Mushroom 31.37%
    Coconut 29.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.61 (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

    • 105.77 ˚C est.

  • Synonyms

    • 7-Tridecanone
    • 462-18-0
    • TRIDECAN-7-ONE
    • Dihexyl ketone
    • Enanthone
    • Hexyl ketone
    • Di-n-hexyl ketone
    • di-n-hexylketone
    • DIHEXADECYL KETONE
    • UNII-L0RDD0T8DG
    • hexylcarbonylhexyl
    • L0RDD0T8DG
    • hexyl hexyl ketone
    • EINECS 207-324-3
    • NSC 77941
    • BRN 1757672
    • AI3-11050
    • di-Normal-hexyl ketone
    • MFCD00009543
    • NSC-77941
    • DTXSID8022034
    • 4-01-00-03315 (Beilstein Handbook Reference)
    • J113.365I
    • dihexylketone
    • Dihexyl ketone, 97%
    • NCIOpen2_000905
    • SCHEMBL36634
    • DTXCID702034
    • NSC77941
    • AKOS001305499
    • AS-50363
    • SY051806
    • DB-051364
    • CS-0152307
    • D1546
    • NS00043604
    • EN300-19771
    • O12155
    • Q27282559
    • Z104475286

  • Applications

    7-Tridecanone (CAS 462-18-0) is a long-chain aliphatic ketone primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where it contributes fragrance notes and can function as a fixative in fragrance blends; it is also employed in household products such as cleaners and laundry formulations to impart scent. In the chemical industry, 7-Tridecanone may serve as an intermediate for the synthesis of complex fragrance compounds and related scent-related applications. Specific use and limits depend on local regulations and formulation constraints of individual manufacturers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3922.66
    methanol 2937.91
    isopropanol 4948.49
    water 0.05
    ethyl acetate 9655.58
    n-propanol 4544.42
    acetone 13255.4
    n-butanol 4820.67
    acetonitrile 5879.3
    DMF 8343.46
    toluene 4528.39
    isobutanol 4219.38
    1,4-dioxane 7988.18
    methyl acetate 5831.49
    THF 12956.91
    2-butanone 10091.67
    n-pentanol 2882.37
    sec-butanol 4837.96
    n-hexane 5196.19
    ethylene glycol 214.19
    NMP 7603.43
    cyclohexane 6610.96
    DMSO 7405.18
    n-butyl acetate 9773.71
    n-octanol 1821.09
    chloroform 16000.64
    n-propyl acetate 7030.46
    acetic acid 2777.12
    dichloromethane 14017.66
    cyclohexanone 17331.03
    propylene glycol 623.82
    isopropyl acetate 6789.73
    DMAc 5202.31
    2-ethoxyethanol 2615.83
    isopentanol 4746.75
    n-heptane 2029.59
    ethyl formate 3758.77
    1,2-dichloroethane 11424.04
    n-hexanol 3721.01
    2-methoxyethanol 4336.83
    isobutyl acetate 3983.63
    tetrachloromethane 4008.04
    n-pentyl acetate 5380.58
    transcutol 11238.05
    n-heptanol 1643.49
    ethylbenzene 2640.35
    MIBK 5219.68
    2-propoxyethanol 4262.84
    tert-butanol 6500.67
    MTBE 10399.14
    2-butoxyethanol 2632.63
    propionic acid 3370.01
    o-xylene 2657.87
    formic acid 372.55
    diethyl ether 11554.16
    m-xylene 2735.45
    p-xylene 3555.68
    chlorobenzene 6046.2
    dimethyl carbonate 1374.48
    n-octane 657.57
    formamide 812.52
    cyclopentanone 13554.29
    2-pentanone 10299.71
    anisole 3544.8
    cyclopentyl methyl ether 9400.6
    gamma-butyrolactone 10771.21
    1-methoxy-2-propanol 4119.55
    pyridine 9849.78
    3-pentanone 7133.15
    furfural 7025.65
    n-dodecane 273.22
    diethylene glycol 1568.19
    diisopropyl ether 3759.84
    tert-amyl alcohol 5555.6
    acetylacetone 7450.72
    n-hexadecane 343.37
    acetophenone 3187.3
    methyl propionate 5361.4
    isopentyl acetate 7985.11
    trichloroethylene 17429.82
    n-nonanol 1587.31
    cyclohexanol 6972.02
    benzyl alcohol 2079.07
    2-ethylhexanol 3389.36
    isooctanol 1632.91
    dipropyl ether 6773.42
    1,2-dichlorobenzene 5369.12
    ethyl lactate 1493.47
    propylene carbonate 5585.61
    n-methylformamide 3278.12
    2-pentanol 4425.62
    n-pentane 2511.95
    1-propoxy-2-propanol 4529.02
    1-methoxy-2-propyl acetate 5148.83
    2-(2-methoxypropoxy) propanol 2151.54
    mesitylene 2005.57
    ε-caprolactone 10653.67
    p-cymene 1670.58
    epichlorohydrin 10118.14
    1,1,1-trichloroethane 12983.82
    2-aminoethanol 886.76
    morpholine-4-carbaldehyde 6057.72
    sulfolane 11136.05
    2,2,4-trimethylpentane 837.8
    2-methyltetrahydrofuran 12542.76
    n-hexyl acetate 6059.66
    isooctane 685.64
    2-(2-butoxyethoxy)ethanol 3168.59
    sec-butyl acetate 4954.2
    tert-butyl acetate 6613.32
    decalin 1817.79
    glycerin 720.93
    diglyme 6396.37
    acrylic acid 2072.42
    isopropyl myristate 1961.77
    n-butyric acid 7184.18
    acetyl acetate 4178.33
    di(2-ethylhexyl) phthalate 1199.57
    ethyl propionate 5834.44
    nitromethane 5947.98
    1,2-diethoxyethane 7428.4
    benzonitrile 4548.39
    trioctyl phosphate 994.11
    1-bromopropane 9633.78
    gamma-valerolactone 11972.79
    n-decanol 1045.75
    triethyl phosphate 1721.62
    4-methyl-2-pentanol 2306.06
    propionitrile 6212.74
    vinylene carbonate 4440.74
    1,1,2-trichlorotrifluoroethane 5608.56
    DMS 3104.95
    cumene 1633.95
    2-octanol 1650.63
    2-hexanone 6930.32
    octyl acetate 2128.5
    limonene 3278.59
    1,2-dimethoxyethane 7673.26
    ethyl orthosilicate 1842.41
    tributyl phosphate 1539.62
    diacetone alcohol 4449.89
    N,N-dimethylaniline 2218.32
    acrylonitrile 5390.07
    aniline 4135.37
    1,3-propanediol 1929.01
    bromobenzene 7392.55
    dibromomethane 11222.64
    1,1,2,2-tetrachloroethane 15229.23
    2-methyl-cyclohexyl acetate 3377.99
    tetrabutyl urea 1894.13
    diisobutyl methanol 2074.35
    2-phenylethanol 2273.0
    styrene 3636.51
    dioctyl adipate 2455.83
    dimethyl sulfate 2228.24
    ethyl butyrate 6079.41
    methyl lactate 1442.22
    butyl lactate 2895.73
    diethyl carbonate 2887.46
    propanediol butyl ether 2064.13
    triethyl orthoformate 3700.0
    p-tert-butyltoluene 1602.45
    methyl 4-tert-butylbenzoate 2358.7
    morpholine 10791.9
    tert-butylamine 5439.76
    n-dodecanol 776.21
    dimethoxymethane 4563.6
    ethylene carbonate 4613.42
    cyrene 1532.52
    2-ethoxyethyl acetate 4629.82
    2-ethylhexyl acetate 6555.58
    1,2,4-trichlorobenzene 5517.12
    4-methylpyridine 10154.31
    dibutyl ether 6472.77
    2,6-dimethyl-4-heptanol 2074.35
    DEF 9478.41
    dimethyl isosorbide 3763.28
    tetrachloroethylene 10245.78
    eugenol 1910.24
    triacetin 3497.62
    span 80 2345.19
    1,4-butanediol 672.19
    1,1-dichloroethane 12875.1
    2-methyl-1-pentanol 2875.92
    methyl formate 1985.91
    2-methyl-1-butanol 4250.28
    n-decane 654.69
    butyronitrile 7629.45
    3,7-dimethyl-1-octanol 2295.22
    1-chlorooctane 2483.93
    1-chlorotetradecane 756.07
    n-nonane 763.09
    undecane 395.44
    tert-butylcyclohexane 1456.21
    cyclooctane 1685.63
    cyclopentanol 6000.64
    tetrahydropyran 16135.53
    tert-amyl methyl ether 6552.14
    2,5,8-trioxanonane 3349.93
    1-hexene 9052.7
    2-isopropoxyethanol 2389.84
    2,2,2-trifluoroethanol 821.25
    methyl butyrate 8328.8

    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