2-Undecanone

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  • Identifiers

    CAS number
    112-12-9

    Molecular formula
    C11H22O

    SMILES
    CCCCCCCCCC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1295.71
    • Carbowax: 1592.0

  • Odor profile

    Fruity 77.79%
    Fatty 72.66%
    Floral 67.56%
    Waxy 67.06%
    Orange 48.82%
    Fresh 47.79%
    Herbal 47.36%
    Dairy 47.3%
    Citrus 47.29%
    Oily 46.84%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 15 °C

    Boiling point

    • 231.5 °C
    • BP: 231.5 to 232.5 °C at 761 mm Hg; 99 °C at 7 mm Hg
    • 231.00 to 232.00 °C. @ 760.00 mm Hg

    Flash point est.
    85.08 ˚C

    Flash point expt.

    • 192 °F (89 °C) (Closed cup)

    Solubility expt.

    • Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform.
    • soluble in alcohol and oil; insoluble in water
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • 2-Undecanone
    • Undecan-2-one
    • Methyl nonyl ketone
    • 112-12-9
    • UNDECANONE
    • 2-Hendecanone
    • Ketone, methyl nonyl
    • Nonyl methyl ketone
    • Rue ketone
    • 2-Oxoundecane
    • METHYL N-NONYL KETONE
    • Methylnonylketone
    • MGK Dog and Cat Repellent
    • Caswell No. 573O
    • 2-Undecanone (natural)
    • FEMA No. 3093
    • Undecanone-(2)
    • Luparone
    • Enodyl
    • HSDB 7431
    • Mgk dog & cat repellent
    • UNII-YV5DSO8CY9
    • NSC 4028
    • EINECS 203-937-5
    • MFCD00009583
    • EPA Pesticide Chemical Code 044102
    • Methyl-n-nonylketone
    • BRN 1749573
    • DTXSID2021943
    • MGK dog AMP MNK
    • CHEBI:17700
    • AI3-03081
    • NSC-4028
    • UNDECANONE, 2-
    • YV5DSO8CY9
    • MOSTIQUE EGX 101
    • 2-UNDECANONE [FCC]
    • 2-UNDECANONE [FHFI]
    • 2-UNDECANONE [HSDB]
    • DTXCID301943
    • 53452-70-3
    • FEMA 3093
    • METHYL NONYL KETONE [MI]
    • NSC4028
    • BioUD
    • 2Hendecanone
    • 2Oxoundecane
    • Undecan2one
    • methyl n-nonylketone
    • methyl-n-nonyl ketone
    • 2Undecanone (natural)
    • 2-Undecanone, 99%
    • METHYL NNONYL KETONE
    • SCHEMBL117635
    • SCHEMBL249443
    • WLN: 9V1
    • CHEMBL1236582
    • 2-Undecanone, analytical standard
    • 2-Undecanone, natural, FCC, FG
    • Tox21_301385
    • BBL011441
    • LMFA12000002
    • s3762
    • STL146552
    • 2-Undecanone, >=98%, FCC, FG
    • AKOS005720838
    • CCG-266363
    • CS-W017685
    • DB08688
    • FU05549
    • HY-W016969
    • USEPA/OPP Pesticide Code: 044102
    • NCGC00164003-01
    • NCGC00255160-01
    • CAS-112-12-9
    • DA-55405
    • VS-02950
    • DB-309480
    • NS00008362
    • U0006
    • C01875
    • EN300-170519
    • F17694
    • Q2024187
    • Z406376986
    • 203-937-5

  • Applications

    2-Undecanone (methyl nonyl ketone) is a naturally occurring organic compound found in rue oil, wild tomato leaves and assorted fruits, and it is widely used as an insect and animal repellent because of its strong olfactory deterrent effect on mosquitoes, ticks, fleas, cockroaches and even cats in pet-protection sprays; as a flavouring agent that imparts fruity, herbal and mildly spicy notes to foods, chewing gums and beverages; as a middle-note fragrance providing green, herbaceous nuances in perfumes, deodorants and cosmetics; as a specialty solvent for polymers, alkyd resins and printing inks; and as a versatile intermediate for synthesizing insect pheromones, surfactants, antifouling coatings, next-generation crop-protection chemicals and numerous derivatives for pharmacological and biological research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10792.51
    methanol 8673.69
    isopropanol 11576.4
    water 0.1
    ethyl acetate 8664.56
    n-propanol 9484.48
    acetone 14131.3
    n-butanol 8402.16
    acetonitrile 6517.73
    DMF 5318.9
    toluene 2646.68
    isobutanol 6955.11
    1,4-dioxane 8799.89
    methyl acetate 5284.33
    THF 12404.49
    2-butanone 8917.58
    n-pentanol 5624.21
    sec-butanol 8608.85
    n-hexane 7084.69
    ethylene glycol 530.5
    NMP 3313.91
    cyclohexane 5057.9
    DMSO 6455.1
    n-butyl acetate 7550.1
    n-octanol 2235.81
    chloroform 10802.42
    n-propyl acetate 5839.91
    acetic acid 3256.71
    dichloromethane 8696.72
    cyclohexanone 10375.08
    propylene glycol 1455.23
    isopropyl acetate 5612.2
    DMAc 3195.01
    2-ethoxyethanol 4286.79
    isopentanol 7181.74
    n-heptane 2438.68
    ethyl formate 3130.76
    1,2-dichloroethane 6308.07
    n-hexanol 6265.96
    2-methoxyethanol 6527.32
    isobutyl acetate 3028.6
    tetrachloromethane 2241.32
    n-pentyl acetate 3681.72
    transcutol 11805.21
    n-heptanol 2128.7
    ethylbenzene 1643.23
    MIBK 4224.82
    2-propoxyethanol 6050.52
    tert-butanol 11908.52
    MTBE 11587.57
    2-butoxyethanol 2949.01
    propionic acid 3815.43
    o-xylene 1436.67
    formic acid 489.67
    diethyl ether 13479.48
    m-xylene 1643.06
    p-xylene 2025.61
    chlorobenzene 2784.71
    dimethyl carbonate 656.65
    n-octane 648.66
    formamide 739.51
    cyclopentanone 7545.94
    2-pentanone 8748.81
    anisole 2294.7
    cyclopentyl methyl ether 7821.19
    gamma-butyrolactone 5760.45
    1-methoxy-2-propanol 5797.58
    pyridine 6723.21
    3-pentanone 4812.78
    furfural 3495.57
    n-dodecane 262.44
    diethylene glycol 2220.42
    diisopropyl ether 3565.9
    tert-amyl alcohol 8156.86
    acetylacetone 4882.02
    n-hexadecane 316.81
    acetophenone 1780.9
    methyl propionate 4191.89
    isopentyl acetate 5692.81
    trichloroethylene 8349.49
    n-nonanol 1790.17
    cyclohexanol 7483.06
    benzyl alcohol 1718.69
    2-ethylhexanol 4159.6
    isooctanol 1823.83
    dipropyl ether 8113.97
    1,2-dichlorobenzene 2134.3
    ethyl lactate 1260.75
    propylene carbonate 2995.77
    n-methylformamide 2661.76
    2-pentanol 6696.99
    n-pentane 3081.13
    1-propoxy-2-propanol 5805.87
    1-methoxy-2-propyl acetate 3848.54
    2-(2-methoxypropoxy) propanol 1828.94
    mesitylene 1103.05
    ε-caprolactone 6962.3
    p-cymene 1005.67
    epichlorohydrin 6491.83
    1,1,1-trichloroethane 6998.03
    2-aminoethanol 1944.68
    morpholine-4-carbaldehyde 4110.07
    sulfolane 5172.57
    2,2,4-trimethylpentane 706.62
    2-methyltetrahydrofuran 12218.09
    n-hexyl acetate 4482.24
    isooctane 627.11
    2-(2-butoxyethoxy)ethanol 3002.73
    sec-butyl acetate 3784.11
    tert-butyl acetate 5106.13
    decalin 1320.48
    glycerin 1188.47
    diglyme 5464.98
    acrylic acid 1917.17
    isopropyl myristate 1296.04
    n-butyric acid 7855.15
    acetyl acetate 2710.0
    di(2-ethylhexyl) phthalate 758.93
    ethyl propionate 4323.97
    nitromethane 4573.42
    1,2-diethoxyethane 6963.79
    benzonitrile 2770.36
    trioctyl phosphate 675.58
    1-bromopropane 7837.58
    gamma-valerolactone 7878.7
    n-decanol 1171.88
    triethyl phosphate 1009.42
    4-methyl-2-pentanol 2889.86
    propionitrile 6298.97
    vinylene carbonate 2249.96
    1,1,2-trichlorotrifluoroethane 3882.97
    DMS 1656.67
    cumene 997.18
    2-octanol 1731.78
    2-hexanone 6459.41
    octyl acetate 1440.26
    limonene 2277.57
    1,2-dimethoxyethane 8848.63
    ethyl orthosilicate 1194.3
    tributyl phosphate 967.1
    diacetone alcohol 3802.16
    N,N-dimethylaniline 1339.31
    acrylonitrile 4756.1
    aniline 3005.92
    1,3-propanediol 3352.04
    bromobenzene 3161.12
    dibromomethane 7741.27
    1,1,2,2-tetrachloroethane 7604.23
    2-methyl-cyclohexyl acetate 2191.69
    tetrabutyl urea 1173.91
    diisobutyl methanol 2004.87
    2-phenylethanol 1930.35
    styrene 2223.87
    dioctyl adipate 1504.99
    dimethyl sulfate 879.01
    ethyl butyrate 4453.95
    methyl lactate 1173.93
    butyl lactate 2029.23
    diethyl carbonate 1934.98
    propanediol butyl ether 2240.05
    triethyl orthoformate 2629.97
    p-tert-butyltoluene 989.31
    methyl 4-tert-butylbenzoate 1316.36
    morpholine 12614.36
    tert-butylamine 8536.79
    n-dodecanol 833.28
    dimethoxymethane 3781.25
    ethylene carbonate 2615.68
    cyrene 1089.05
    2-ethoxyethyl acetate 3216.37
    2-ethylhexyl acetate 4297.97
    1,2,4-trichlorobenzene 2282.7
    4-methylpyridine 6378.69
    dibutyl ether 6175.59
    2,6-dimethyl-4-heptanol 2004.87
    DEF 6391.39
    dimethyl isosorbide 2437.79
    tetrachloroethylene 5146.67
    eugenol 1201.75
    triacetin 2180.86
    span 80 1995.07
    1,4-butanediol 1128.8
    1,1-dichloroethane 8842.38
    2-methyl-1-pentanol 4204.89
    methyl formate 1422.36
    2-methyl-1-butanol 6032.22
    n-decane 643.18
    butyronitrile 8025.45
    3,7-dimethyl-1-octanol 2374.47
    1-chlorooctane 1965.01
    1-chlorotetradecane 563.35
    n-nonane 793.36
    undecane 380.72
    tert-butylcyclohexane 1234.09
    cyclooctane 1247.77
    cyclopentanol 6524.5
    tetrahydropyran 16951.11
    tert-amyl methyl ether 6313.83
    2,5,8-trioxanonane 2762.18
    1-hexene 12681.06
    2-isopropoxyethanol 3509.92
    2,2,2-trifluoroethanol 609.74
    methyl butyrate 6108.36

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.12%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.31%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.53%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.05%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 0.06%
Oregano, spanish (Spain) 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.32%
Rue (Russia) 8014-29-7 Ruta graveolens L., fam. Rutaceae 75.0%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 30.73%
Sideritis granatensis Sideritis granatensis (Pau) Rivas-Goday, fam. Lamiaceae (Labiatae) 0.2%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.35%
Hop (Neomexicanus cultivar) (USA) 8007-04-3 Humulus lupulus L., var. neomeaxicanus Nels. & Cockerell, fam. Cannabaceae 0.24%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 36.8%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.3%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.6%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.29%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.13%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.55%
Mastic gum (Spain) 61789-92-2 Pistacia lentiscus L., fam. Anacardiaceae 0.14%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.29%
Pistacia lentiscus (Spain) 1c ripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.21%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.42%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.72%
Lemongrass (Turkey) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.5%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 6.9%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 4.75%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 2.16%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 49.2%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 0.18%
Curcuma aeruginosa (Indonesia) Curcuma aeruginosa Roxb., fam. Zingiberaceae 0.1%
Curcuma heyneana (Indonesia) Curcuma heyneana Val., fam. Zingiberaceae 1.0%
Pepper, black 3 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 90.42%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.16%
Lemongrass (China) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.15%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 0.33%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.8%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 36.5%
Citron (China) peel 1b Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.15%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Ginger (Taiwan) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.36%
Ginger (China) 6 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ginger (India) 6 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.43%