2-Nonanone

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  • Identifiers

    CAS number
    821-55-6

    Molecular formula
    C9H18O

    SMILES
    CCCCCCCC(=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1091.86
    • Carbowax: 1392.0

  • Odor profile

    Fruity 83.21%
    Fatty 73.87%
    Herbal 70.49%
    Green 69.22%
    Earthy 59.99%
    Waxy 59.85%
    Cheesy 58.76%
    Floral 56.16%
    Sweet 52.94%
    Ketonic 52.13%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.0 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -5.8 °F (USCG, 1999)
    • -15 °C

    Boiling point

    • 377.6 °F at 743 mmHg (USCG, 1999)
    • 192.00 °C. @ 743.00 mm Hg

    Flash point est.
    60.98 ˚C

    Flash point expt.

    • 148 °F (USCG, 1999)

    Solubility expt.

    • 0.371 mg/mL at 25 °C
    • soluble in alcohol, propylene glycol, oil; insoluble in water
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • 2-NONANONE
    • Nonan-2-one
    • 821-55-6
    • Heptyl methyl ketone
    • Methyl heptyl ketone
    • beta-Nonanone
    • Ketone, heptyl methyl
    • METHYL N-HEPTYL KETONE
    • 2-Nonanone (natural)
    • FEMA No. 2785
    • 2-Nonanone-d5
    • .beta.-Nonanone
    • UNII-ZE5K73YN2Z
    • methylheptyl ketone
    • EINECS 212-480-0
    • ZE5K73YN2Z
    • MFCD00009553
    • NSC 14760
    • BRN 1743645
    • DTXSID2022125
    • CHEBI:77927
    • NONANONE-2
    • NSC-14760
    • 2-NONANONE [FCC]
    • n-C7H15COCH3
    • 2-NONANONE [FHFI]
    • DTXCID002125
    • 4-01-00-03353 (Beilstein Handbook Reference)
    • 1398065-76-3
    • Methyl heptyl ketone; Methyl n-heptyl ketone; NSC 14760
    • Nonanone
    • betaNonanone
    • Nonan2one
    • Heptylmethylketone
    • 2Nonanone (natural)
    • 2-Nonanone, >=99%
    • METHYL NHEPTYL KETONE
    • SCHEMBL103970
    • SCHEMBL626185
    • SCHEMBL4089642
    • WLN: 7V1
    • 2-Nonanone, analytical standard
    • CHEMBL2228473
    • NSC14760
    • YFC06576
    • Tox21_303845
    • BBL011435
    • LMFA12000052
    • STL146543
    • 2-Nonanone, >=99%, FCC, FG
    • AKOS005720803
    • NCGC00357115-01
    • AS-10570
    • CAS-821-55-6
    • SY015805
    • 2-Nonanone, natural, >=97%, FCC, FG
    • N0293
    • NS00003042
    • EN300-19772
    • Q15726063

  • Applications

    2-Nonanone (CAS 821-55-6) is a straight-chain ketone with a mild fatty-fruity odor; it is widely employed in flavor and fragrance industries to impart creamy, coconut-like or buttery nuances to confectionery, beverages and dairy products; in perfumery and cosmetics it serves as a mid-note that bridges fruity, green and woody accords; in crop protection it acts as an insect repellent or behavioral disruptor and is formulated into ecological baits, active packaging films and semiochemical lures; in laboratories the compound functions as a medium-polarity solvent for essential-oil extraction, a GC-MS internal standard and a synthetic intermediate toward C9 ketones, fatty acids and esters; occurring naturally in tomatoes, apples, mangoes, cow’s milk and wine, it is also utilized as a flavor marker in food quality assessment and agricultural traceability studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12325.71
    methanol 11846.7
    isopropanol 11722.75
    water 0.47
    ethyl acetate 6762.58
    n-propanol 9494.09
    acetone 12520.02
    n-butanol 8519.38
    acetonitrile 6381.21
    DMF 5300.43
    toluene 2176.91
    isobutanol 6841.82
    1,4-dioxane 7594.57
    methyl acetate 4573.96
    THF 10257.97
    2-butanone 7347.93
    n-pentanol 5264.54
    sec-butanol 8105.08
    n-hexane 5354.4
    ethylene glycol 974.39
    NMP 3552.15
    cyclohexane 3387.76
    DMSO 6108.63
    n-butyl acetate 6052.21
    n-octanol 2256.67
    chloroform 9878.59
    n-propyl acetate 4092.74
    acetic acid 4424.5
    dichloromethane 7243.67
    cyclohexanone 8519.61
    propylene glycol 2242.65
    isopropyl acetate 4131.28
    DMAc 2901.54
    2-ethoxyethanol 3871.33
    isopentanol 6777.91
    n-heptane 1861.2
    ethyl formate 2740.9
    1,2-dichloroethane 4927.7
    n-hexanol 6514.66
    2-methoxyethanol 6650.3
    isobutyl acetate 2194.82
    tetrachloromethane 2194.29
    n-pentyl acetate 2824.74
    transcutol 11033.86
    n-heptanol 2033.32
    ethylbenzene 1318.93
    MIBK 3187.41
    2-propoxyethanol 5951.75
    tert-butanol 11148.23
    MTBE 8827.57
    2-butoxyethanol 2650.17
    propionic acid 4542.85
    o-xylene 1183.67
    formic acid 866.06
    diethyl ether 9633.05
    m-xylene 1434.85
    p-xylene 1570.61
    chlorobenzene 2465.84
    dimethyl carbonate 630.67
    n-octane 520.86
    formamide 1067.58
    cyclopentanone 6788.7
    2-pentanone 6780.14
    anisole 1908.44
    cyclopentyl methyl ether 6214.03
    gamma-butyrolactone 5523.25
    1-methoxy-2-propanol 5440.66
    pyridine 5586.1
    3-pentanone 3831.37
    furfural 3403.06
    n-dodecane 227.81
    diethylene glycol 2665.3
    diisopropyl ether 2591.66
    tert-amyl alcohol 7512.88
    acetylacetone 4115.06
    n-hexadecane 264.35
    acetophenone 1427.78
    methyl propionate 3584.15
    isopentyl acetate 4428.09
    trichloroethylene 7370.14
    n-nonanol 1756.11
    cyclohexanol 7054.66
    benzyl alcohol 1574.19
    2-ethylhexanol 3697.15
    isooctanol 1624.0
    dipropyl ether 5338.2
    1,2-dichlorobenzene 1830.42
    ethyl lactate 1036.14
    propylene carbonate 2764.72
    n-methylformamide 2975.35
    2-pentanol 6116.27
    n-pentane 2576.82
    1-propoxy-2-propanol 5192.42
    1-methoxy-2-propyl acetate 3227.49
    2-(2-methoxypropoxy) propanol 1759.15
    mesitylene 905.54
    ε-caprolactone 5656.68
    p-cymene 836.82
    epichlorohydrin 5604.24
    1,1,1-trichloroethane 5873.78
    2-aminoethanol 2889.49
    morpholine-4-carbaldehyde 3849.13
    sulfolane 4874.75
    2,2,4-trimethylpentane 632.73
    2-methyltetrahydrofuran 10128.54
    n-hexyl acetate 3829.37
    isooctane 542.95
    2-(2-butoxyethoxy)ethanol 2922.42
    sec-butyl acetate 2588.21
    tert-butyl acetate 3770.35
    decalin 983.8
    glycerin 1799.01
    diglyme 4768.45
    acrylic acid 2534.43
    isopropyl myristate 1054.92
    n-butyric acid 7611.22
    acetyl acetate 2276.19
    di(2-ethylhexyl) phthalate 706.16
    ethyl propionate 2999.26
    nitromethane 4977.24
    1,2-diethoxyethane 5208.71
    benzonitrile 2627.12
    trioctyl phosphate 609.77
    1-bromopropane 5901.95
    gamma-valerolactone 6747.3
    n-decanol 1156.88
    triethyl phosphate 755.66
    4-methyl-2-pentanol 2568.36
    propionitrile 5589.7
    vinylene carbonate 2164.67
    1,1,2-trichlorotrifluoroethane 3747.76
    DMS 1449.81
    cumene 809.07
    2-octanol 1612.69
    2-hexanone 4842.44
    octyl acetate 1260.34
    limonene 1859.61
    1,2-dimethoxyethane 6858.75
    ethyl orthosilicate 889.82
    tributyl phosphate 849.44
    diacetone alcohol 3347.09
    N,N-dimethylaniline 1122.09
    acrylonitrile 4651.01
    aniline 2933.05
    1,3-propanediol 3947.34
    bromobenzene 2663.69
    dibromomethane 6566.21
    1,1,2,2-tetrachloroethane 6416.61
    2-methyl-cyclohexyl acetate 1711.55
    tetrabutyl urea 1016.02
    diisobutyl methanol 1708.05
    2-phenylethanol 1895.5
    styrene 1790.91
    dioctyl adipate 1266.14
    dimethyl sulfate 855.83
    ethyl butyrate 3167.28
    methyl lactate 1205.57
    butyl lactate 1713.85
    diethyl carbonate 1366.42
    propanediol butyl ether 2407.73
    triethyl orthoformate 1847.43
    p-tert-butyltoluene 818.49
    methyl 4-tert-butylbenzoate 1177.85
    morpholine 10417.94
    tert-butylamine 7706.95
    n-dodecanol 819.44
    dimethoxymethane 3127.18
    ethylene carbonate 2333.58
    cyrene 1027.92
    2-ethoxyethyl acetate 2583.04
    2-ethylhexyl acetate 3348.1
    1,2,4-trichlorobenzene 1972.4
    4-methylpyridine 5464.8
    dibutyl ether 4681.44
    2,6-dimethyl-4-heptanol 1708.05
    DEF 5224.68
    dimethyl isosorbide 2202.72
    tetrachloroethylene 4524.28
    eugenol 1148.17
    triacetin 1893.19
    span 80 1992.66
    1,4-butanediol 1414.3
    1,1-dichloroethane 7462.13
    2-methyl-1-pentanol 3839.55
    methyl formate 1642.82
    2-methyl-1-butanol 5805.53
    n-decane 526.61
    butyronitrile 6960.59
    3,7-dimethyl-1-octanol 2233.69
    1-chlorooctane 1629.45
    1-chlorotetradecane 481.15
    n-nonane 655.05
    undecane 323.66
    tert-butylcyclohexane 969.34
    cyclooctane 868.91
    cyclopentanol 6463.74
    tetrahydropyran 12755.79
    tert-amyl methyl ether 4934.97
    2,5,8-trioxanonane 2480.87
    1-hexene 9738.17
    2-isopropoxyethanol 2994.84
    2,2,2-trifluoroethanol 842.57
    methyl butyrate 4481.08

    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, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 1.11%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.03%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.4%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.04%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.22%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.11%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.15%
Lemongrass (India) 2 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.07%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.03%
Rue (Russia) 8014-29-7 Ruta graveolens L., fam. Rutaceae 19.4%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 18.06%
Sideritis granatensis Sideritis granatensis (Pau) Rivas-Goday, fam. Lamiaceae (Labiatae) 0.2%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 18.0%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.19%
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 0.01%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.04%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.02%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
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 0.2%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 1.71%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.14%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 24.7%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 0.1%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.01%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 4.27%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 23.17%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Ginger (Taiwan) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.07%
Ginger (China) 6 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.02%
Salvia cryptantha (Turkey) Salvia cryptantha Montbret et Aucher ex Benth., fam. Lamiaceae (Labiatae) 0.15%
Juniperus rigida (China) Juniperus rigida Mig., fam. Cupressaceae 0.05%
Scleria striatinux rhizome (Cameroon) Scleria striatinux De Wild., fam. Cyperaceae 0.6%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.01%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 16.24%
Sugandha kokila fruit Cinnamomum glaucescens (Nees) Drury (C. cecidodaphne Meissn.)fam.Lauraceae 1.9%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.03%
Boldo leaf (Italy) Boldea fragrans Juss. (Peumus boldus Mol.) 0.1%
Boldo leaf (Chile) Boldea fragrans Juss. (Peumus boldus Mol.) 0.04%
Lemongrass (Guatemala) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.1%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.62%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.24%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 24.12%