12-Tridecen-2-one

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  • Identifiers

    CAS number
    60437-21-0

    Molecular formula
    C13H24O

    SMILES
    CC(=O)CCCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.43%
    Fatty 72.5%
    Waxy 63.77%
    Citrus 52.66%
    Floral 52.37%
    Green 48.93%
    Fresh 45.35%
    Rose 40.96%
    Dairy 40.4%
    Orange 40.2%

     

    Flavor
    Fruity 59.54%
    Floral 57.47%
    Waxy 53.32%
    Citrus 44.42%
    Fresh 42.89%
    Fatty 40.41%
    Orange 38.61%
    Soapy 33.27%
    Herbal 31.54%
    Woody 29.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.41 (neutral)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 108.01 ˚C est.

  • Synonyms

    • Tridec-12-en-2-one
    • 12-TRIDECEN-2-ONE
    • 60437-21-0
    • DTXSID30447222
    • RefChem:437365
    • DTXCID30398043
    • MFCD11553533
    • SCHEMBL15753807
    • CHEBI:186917
    • UYCZPLKICNDOCL-UHFFFAOYSA-N
    • LMFA12000167
    • AKOS006324535
    • NS00125857
    • Q27453260
    • 60437-21-0

  • Applications

    12-Tridecen-2-one (CAS 60437-21-0) is a long-chain unsaturated ketone commonly used as an odorant and fragrance ingredient in perfumery; it can serve as a fragrance fixative or building block in scent synthesis. It is also employed in cosmetics/personal care as a fragrance component and may appear in household products (cleaners, air fresheners) for their odor profile. In industrial manufacturing, it is used as an intermediate for the synthesis of other fragrance compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1814.09
    methanol 1324.24
    isopropanol 1965.49
    water 0.02
    ethyl acetate 2079.76
    n-propanol 1727.81
    acetone 2452.69
    n-butanol 1731.93
    acetonitrile 933.33
    DMF 1149.36
    toluene 799.23
    isobutanol 1353.74
    1,4-dioxane 2399.54
    methyl acetate 1200.88
    THF 3888.03
    2-butanone 2075.6
    n-pentanol 1342.08
    sec-butanol 1815.78
    n-hexane 1645.27
    ethylene glycol 89.75
    NMP 996.34
    cyclohexane 1572.08
    DMSO 1721.95
    n-butyl acetate 1928.39
    n-octanol 582.34
    chloroform 2920.32
    n-propyl acetate 1582.45
    acetic acid 574.59
    dichloromethane 2485.99
    cyclohexanone 2714.6
    propylene glycol 284.98
    isopropyl acetate 1460.31
    DMAc 1005.05
    2-ethoxyethanol 1175.73
    isopentanol 1612.05
    n-heptane 708.83
    ethyl formate 640.4
    1,2-dichloroethane 1889.47
    n-hexanol 1566.34
    2-methoxyethanol 1508.88
    isobutyl acetate 938.03
    tetrachloromethane 602.2
    n-pentyl acetate 1065.07
    transcutol 4467.21
    n-heptanol 558.95
    ethylbenzene 573.02
    MIBK 1259.05
    2-propoxyethanol 1669.25
    tert-butanol 2400.6
    MTBE 2855.58
    2-butoxyethanol 832.17
    propionic acid 709.58
    o-xylene 525.13
    formic acid 84.42
    diethyl ether 3389.21
    m-xylene 585.78
    p-xylene 642.91
    chlorobenzene 845.02
    dimethyl carbonate 195.6
    n-octane 182.98
    formamide 133.0
    cyclopentanone 2076.45
    2-pentanone 2193.33
    anisole 778.93
    cyclopentyl methyl ether 2412.93
    gamma-butyrolactone 1614.67
    1-methoxy-2-propanol 1474.46
    pyridine 1635.25
    3-pentanone 1349.64
    furfural 1059.74
    n-dodecane 78.77
    diethylene glycol 612.53
    diisopropyl ether 1030.48
    tert-amyl alcohol 1897.13
    acetylacetone 1369.23
    n-hexadecane 94.92
    acetophenone 640.66
    methyl propionate 1050.07
    isopentyl acetate 1616.24
    trichloroethylene 2513.08
    n-nonanol 522.05
    cyclohexanol 1806.03
    benzyl alcohol 548.83
    2-ethylhexanol 1174.11
    isooctanol 549.09
    dipropyl ether 2298.4
    1,2-dichlorobenzene 767.34
    ethyl lactate 400.5
    propylene carbonate 923.56
    n-methylformamide 446.74
    2-pentanol 1533.93
    n-pentane 783.93
    1-propoxy-2-propanol 1616.33
    1-methoxy-2-propyl acetate 1272.78
    2-(2-methoxypropoxy) propanol 747.38
    mesitylene 413.08
    ε-caprolactone 1950.25
    p-cymene 362.0
    epichlorohydrin 2041.63
    1,1,1-trichloroethane 1984.28
    2-aminoethanol 356.11
    morpholine-4-carbaldehyde 1206.66
    sulfolane 1668.73
    2,2,4-trimethylpentane 235.3
    2-methyltetrahydrofuran 3500.31
    n-hexyl acetate 1344.76
    isooctane 212.77
    2-(2-butoxyethoxy)ethanol 1123.63
    sec-butyl acetate 1114.0
    tert-butyl acetate 1484.81
    decalin 452.66
    glycerin 279.64
    diglyme 1898.62
    acrylic acid 355.61
    isopropyl myristate 459.78
    n-butyric acid 1656.44
    acetyl acetate 776.32
    di(2-ethylhexyl) phthalate 307.17
    ethyl propionate 1210.26
    nitromethane 884.88
    1,2-diethoxyethane 2298.5
    benzonitrile 752.27
    trioctyl phosphate 247.66
    1-bromopropane 2203.48
    gamma-valerolactone 2193.84
    n-decanol 359.04
    triethyl phosphate 409.97
    4-methyl-2-pentanol 803.91
    propionitrile 1152.95
    vinylene carbonate 655.14
    1,1,2-trichlorotrifluoroethane 1121.62
    DMS 572.91
    cumene 371.85
    2-octanol 468.74
    2-hexanone 1728.53
    octyl acetate 509.3
    limonene 787.09
    1,2-dimethoxyethane 2305.65
    ethyl orthosilicate 461.28
    tributyl phosphate 355.9
    diacetone alcohol 1131.75
    N,N-dimethylaniline 523.59
    acrylonitrile 813.46
    aniline 771.68
    1,3-propanediol 682.54
    bromobenzene 974.3
    dibromomethane 2154.74
    1,1,2,2-tetrachloroethane 2430.13
    2-methyl-cyclohexyl acetate 832.82
    tetrabutyl urea 429.38
    diisobutyl methanol 662.17
    2-phenylethanol 630.68
    styrene 707.49
    dioctyl adipate 599.66
    dimethyl sulfate 300.54
    ethyl butyrate 1366.0
    methyl lactate 324.36
    butyl lactate 641.8
    diethyl carbonate 663.26
    propanediol butyl ether 687.85
    triethyl orthoformate 920.25
    p-tert-butyltoluene 354.8
    methyl 4-tert-butylbenzoate 557.34
    morpholine 3259.72
    tert-butylamine 1789.08
    n-dodecanol 267.94
    dimethoxymethane 1044.45
    ethylene carbonate 720.97
    cyrene 482.68
    2-ethoxyethyl acetate 1039.17
    2-ethylhexyl acetate 1311.44
    1,2,4-trichlorobenzene 817.27
    4-methylpyridine 1641.9
    dibutyl ether 1812.95
    2,6-dimethyl-4-heptanol 662.17
    DEF 1591.05
    dimethyl isosorbide 1126.31
    tetrachloroethylene 1598.57
    eugenol 494.65
    triacetin 852.95
    span 80 764.82
    1,4-butanediol 252.99
    1,1-dichloroethane 2240.82
    2-methyl-1-pentanol 1145.74
    methyl formate 268.83
    2-methyl-1-butanol 1397.59
    n-decane 188.43
    butyronitrile 1492.89
    3,7-dimethyl-1-octanol 712.64
    1-chlorooctane 608.29
    1-chlorotetradecane 192.41
    n-nonane 223.54
    undecane 114.2
    tert-butylcyclohexane 388.67
    cyclooctane 426.73
    cyclopentanol 1443.98
    tetrahydropyran 4550.82
    tert-amyl methyl ether 1869.44
    2,5,8-trioxanonane 1185.32
    1-hexene 2923.32
    2-isopropoxyethanol 1001.96
    2,2,2-trifluoroethanol 126.14
    methyl butyrate 1537.82

    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