2-Tridecanone

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  • Identifiers

    CAS number
    593-08-8

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCCCCCC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1487.0
    • Carbowax: 1793.25

  • Odor profile

    Fruity 72.2%
    Fatty 70.54%
    Waxy 65.0%
    Floral 60.86%
    Oily 50.37%
    Dairy 45.81%
    Orange 43.25%
    Fresh 42.11%
    Citrus 42.08%
    Jasmin 40.52%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 86.1 °F (NTP, 1992)
    • 29 °C

    Boiling point

    • 505 °F at 760 mmHg (NTP, 1992)
    • 134.00 °C. @ 10.00 mm Hg

    Flash point est.
    104.71 ˚C

    Flash point expt.

    • 225 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • soluble in alcohol, propylene glycol and oils; insoluble in water

  • Synonyms

    • 2-TRIDECANONE
    • Tridecan-2-one
    • 593-08-8
    • Methyl undecyl ketone
    • Mathyl undecyl kepoje
    • 2-Tridecankje
    • Hendecyl methyl ketone
    • Tridecanone-2
    • Methyl n-undecyl ketone
    • FEMA No. 3388
    • 2-Tridecanone (natural)
    • TRIDECANONE
    • EINECS 209-784-0
    • UNII-5Q35VHX26K
    • MFCD00008968
    • NSC 14763
    • 5Q35VHX26K
    • DTXSID4022070
    • CHEBI:77928
    • AI3-04238
    • NSC-14763
    • 2-TRIDECANONE [FCC]
    • 2-TRIDECANONE [FHFI]
    • DTXCID302070
    • FEMA 3388
    • 2Tridecanone (natural)
    • 2-Tridecanone, 99%
    • HENDECYLMETHYLKETONE
    • n-BUTYL-n-OCTYL KETONE
    • SCHEMBL119126
    • CHEMBL480097
    • 2-Tridecanone, >=96%, FG
    • 2-Tridecanone, analytical standard
    • NSC14763
    • Tox21_301838
    • LMFA12000058
    • AKOS009158653
    • 2-Tridecanone, >=98%, natural, FG
    • CS-W010527
    • HY-W009811
    • NCGC00255260-01
    • CAS-593-08-8
    • PD158263
    • 2-Tridecanone, purum, >=97.0% (GC)
    • DB-003333
    • NS00013250
    • T0415
    • D78019
    • A832256
    • Q27147536
    • 2TD

  • Applications

    2-Tridecanone (CAS 593-08-8) is a naturally occurring straight-chain ketone found in the glandular hairs of wild tomato plants, renowned for its ability to repel and kill insects such as aphids, true bugs, and mosquitoes; this property underpins its wide use in bio-pesticides, pheromone lure formulations, insect-resistant wood coatings, and as a safe feed additive to lower pest pressure; additionally, 2-tridecanone serves as an analytical standard in biochemical studies, a precursor for green-grassy or roasted-meat flavor and fragrance ingredients, and a hydrophobic chain-containing surfactant component in specialty solvent, polymer, and lubricant formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3154.35
    methanol 2129.33
    isopropanol 4015.26
    water 0.02
    ethyl acetate 4719.94
    n-propanol 3382.36
    acetone 5788.05
    n-butanol 3361.74
    acetonitrile 2284.93
    DMF 2492.49
    toluene 1649.72
    isobutanol 2767.69
    1,4-dioxane 4800.06
    methyl acetate 2688.52
    THF 7888.27
    2-butanone 4701.12
    n-pentanol 2384.25
    sec-butanol 3598.07
    n-hexane 3807.71
    ethylene glycol 124.06
    NMP 2213.44
    cyclohexane 3843.62
    DMSO 3044.63
    n-butyl acetate 4693.37
    n-octanol 1178.26
    chloroform 6555.38
    n-propyl acetate 3912.45
    acetic acid 1100.31
    dichloromethane 5665.24
    cyclohexanone 6655.12
    propylene glycol 416.73
    isopropyl acetate 3570.21
    DMAc 1948.86
    2-ethoxyethanol 2041.94
    isopentanol 3219.91
    n-heptane 1711.37
    ethyl formate 1578.52
    1,2-dichloroethane 4344.43
    n-hexanol 2902.04
    2-methoxyethanol 2751.82
    isobutyl acetate 2198.45
    tetrachloromethane 1479.36
    n-pentyl acetate 2629.75
    transcutol 6867.14
    n-heptanol 1145.15
    ethylbenzene 1154.32
    MIBK 2779.79
    2-propoxyethanol 2984.49
    tert-butanol 4985.43
    MTBE 6463.57
    2-butoxyethanol 1690.86
    propionic acid 1508.34
    o-xylene 1040.11
    formic acid 134.35
    diethyl ether 7266.79
    m-xylene 1119.31
    p-xylene 1446.0
    chlorobenzene 1904.29
    dimethyl carbonate 399.6
    n-octane 442.48
    formamide 233.72
    cyclopentanone 4819.97
    2-pentanone 4826.4
    anisole 1596.6
    cyclopentyl methyl ether 5314.14
    gamma-butyrolactone 3620.48
    1-methoxy-2-propanol 2879.81
    pyridine 3789.09
    3-pentanone 2904.98
    furfural 2292.23
    n-dodecane 180.99
    diethylene glycol 940.75
    diisopropyl ether 2263.63
    tert-amyl alcohol 3845.6
    acetylacetone 3051.51
    n-hexadecane 225.76
    acetophenone 1341.05
    methyl propionate 2355.62
    isopentyl acetate 3936.21
    trichloroethylene 5461.03
    n-nonanol 1041.13
    cyclohexanol 3967.99
    benzyl alcohol 1025.17
    2-ethylhexanol 2396.14
    isooctanol 1129.91
    dipropyl ether 5406.59
    1,2-dichlorobenzene 1702.52
    ethyl lactate 843.43
    propylene carbonate 2072.09
    n-methylformamide 1006.87
    2-pentanol 3007.05
    n-pentane 1605.41
    1-propoxy-2-propanol 3211.4
    1-methoxy-2-propyl acetate 2633.04
    2-(2-methoxypropoxy) propanol 1219.25
    mesitylene 828.17
    ε-caprolactone 4549.04
    p-cymene 799.67
    epichlorohydrin 4234.55
    1,1,1-trichloroethane 4879.05
    2-aminoethanol 545.53
    morpholine-4-carbaldehyde 2544.19
    sulfolane 3650.9
    2,2,4-trimethylpentane 464.55
    2-methyltetrahydrofuran 7672.94
    n-hexyl acetate 3012.89
    isooctane 406.12
    2-(2-butoxyethoxy)ethanol 1851.27
    sec-butyl acetate 2767.57
    tert-butyl acetate 3537.1
    decalin 995.05
    glycerin 410.23
    diglyme 3525.35
    acrylic acid 717.23
    isopropyl myristate 1012.36
    n-butyric acid 3684.71
    acetyl acetate 1716.34
    di(2-ethylhexyl) phthalate 569.66
    ethyl propionate 2998.34
    nitromethane 1955.28
    1,2-diethoxyethane 4632.24
    benzonitrile 1666.08
    trioctyl phosphate 494.36
    1-bromopropane 5002.04
    gamma-valerolactone 4861.32
    n-decanol 692.23
    triethyl phosphate 901.84
    4-methyl-2-pentanol 1545.79
    propionitrile 2918.45
    vinylene carbonate 1433.58
    1,1,2-trichlorotrifluoroethane 2327.77
    DMS 1179.34
    cumene 760.23
    2-octanol 1031.28
    2-hexanone 3909.77
    octyl acetate 1070.95
    limonene 1735.63
    1,2-dimethoxyethane 5133.57
    ethyl orthosilicate 1030.55
    tributyl phosphate 717.39
    diacetone alcohol 2421.7
    N,N-dimethylaniline 1008.42
    acrylonitrile 2085.34
    aniline 1605.15
    1,3-propanediol 1161.08
    bromobenzene 2275.23
    dibromomethane 4957.67
    1,1,2,2-tetrachloroethane 5400.04
    2-methyl-cyclohexyl acetate 1801.25
    tetrabutyl urea 895.84
    diisobutyl methanol 1387.37
    2-phenylethanol 1154.79
    styrene 1472.93
    dioctyl adipate 1211.88
    dimethyl sulfate 590.98
    ethyl butyrate 3395.58
    methyl lactate 629.65
    butyl lactate 1396.13
    diethyl carbonate 1525.58
    propanediol butyl ether 1190.05
    triethyl orthoformate 2153.32
    p-tert-butyltoluene 774.68
    methyl 4-tert-butylbenzoate 1057.23
    morpholine 6814.18
    tert-butylamine 3848.36
    n-dodecanol 512.6
    dimethoxymethane 2010.01
    ethylene carbonate 1692.72
    cyrene 806.08
    2-ethoxyethyl acetate 2214.13
    2-ethylhexyl acetate 3158.67
    1,2,4-trichlorobenzene 1781.32
    4-methylpyridine 3662.02
    dibutyl ether 4040.01
    2,6-dimethyl-4-heptanol 1387.37
    DEF 3817.84
    dimethyl isosorbide 1917.27
    tetrachloroethylene 3441.84
    eugenol 866.54
    triacetin 1658.58
    span 80 1342.18
    1,4-butanediol 420.82
    1,1-dichloroethane 5407.97
    2-methyl-1-pentanol 2060.08
    methyl formate 572.29
    2-methyl-1-butanol 2771.26
    n-decane 446.7
    butyronitrile 3810.23
    3,7-dimethyl-1-octanol 1460.52
    1-chlorooctane 1390.78
    1-chlorotetradecane 427.79
    n-nonane 535.51
    undecane 265.14
    tert-butylcyclohexane 855.01
    cyclooctane 969.14
    cyclopentanol 3284.13
    tetrahydropyran 10420.51
    tert-amyl methyl ether 3965.83
    2,5,8-trioxanonane 1905.48
    1-hexene 6426.21
    2-isopropoxyethanol 1900.76
    2,2,2-trifluoroethanol 253.36
    methyl butyrate 4010.36

    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
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.08%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 1.75%
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.27%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.87%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 2.26%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 1.1%
Agathosma rosmarinifolia Agathosma rosmarinifolia (Bartl.) Williams, fam. Diosmea (Rutaceae) 1.3%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.04%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.02%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 1.63%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 3.1%
Lemongrass (Rwanda) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.32%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.1%
Grape flower 84929-27-1 Vitis vinifera L., ssp. Gruener Veltliner, fam. Vitaceae 4.8%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.16%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Lemongrass (China) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.19%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 3.32%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.47%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.5%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 2.31%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 1.5%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 3.45%
Passion fruit shell Passiflora edulis Sims, fam. Passifloraceae 62.1%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 3.72%
Lemongrass (Zambia) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.2%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.32%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.8%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 1.4%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 0.2%
Lemongrass (Burkina Faso) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.1%
Lemongrass (Peru) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.05%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 4.0%
Cochlospermum planchonii tubercle Cochlospermum planchonii A.Rich, fam. Bixaceae (Cochlospermaceae) 0.4%
Cochlospermum tinctorium tubercle Cochlospermum tinctorium (Hook.), fam. Bixaceae (Cochlospermaceae) 1.0%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Lemongrass (Cuba) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.4%
Ruta chalepensis (Iran) Ruta chalepensis L., fam. Rutaceae 0.7%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 1.1%
Philodendron acutatum root Philodendron acutatum Schott, fam. Araceae 23.4%
Elionurus muticus (Zimbabwe) Elionurus muticus (Spreng.) Kunth, fam. Poaceae (Gramineae) 2.0%