3-Nonanone

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  • Identifiers

    CAS number
    925-78-0

    Molecular formula
    C9H18O

    SMILES
    CCCCCCC(=O)CC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1360.5

  • Odor profile

    Green 84.89%
    Fruity 83.08%
    Herbal 72.07%
    Floral 66.39%
    Sweet 64.48%
    Fatty 62.88%
    Fresh 58.87%
    Waxy 56.8%
    Earthy 52.01%
    Oily 46.95%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -8 °C

    Boiling point

    • 187.00 to 188.00 °C. @ 760.00 mm Hg

    Flash point est.
    61.65 ˚C

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in alcohol and oils

  • Synonyms

    • 3-NONANONE
    • nonan-3-one
    • 925-78-0
    • Ethyl hexyl ketone
    • Ethyl n-hexyl ketone
    • n-Hexyl ethyl ketone
    • 3-Nonanone (natural)
    • FEMA No. 3440
    • UNII-00C380UHNL
    • 00C380UHNL
    • FEMA 3440
    • EINECS 213-125-2
    • 3-NONANONE [FHFI]
    • AI3-36117
    • DTXSID1061289
    • MFCD00009541
    • 3Nonanone (natural)
    • 3-Nonanone, 99%
    • SCHEMBL104700
    • DTXCID9048801
    • CHEBI:179605
    • AAA92578
    • LMFA12000053
    • AKOS009158321
    • 3-Nonanone, analytical reference material
    • AS-56339
    • 3-Nonanone, natural (US), >=97%, FG
    • DB-057312
    • CS-0330265
    • N0253
    • NS00013037
    • D91660
    • EN300-7068969
    • Q27231338

  • Applications

    3-Nonanone (CAS 925-78-0) is a straight-chain, high-boiling ketone with broad utility: as a fragrance ingredient imparting subtle fruity–fatty–green nuances to round out fine fragrances, deodorants, cleaners, and personal care; as a trace flavoring/modifier in foods such as dairy, baked goods, and beverages; as a slow-evaporating solvent or co-solvent for resins, coatings, inks, adhesives, and for extracting hydrophobic analytes; as a versatile synthetic intermediate (e.g., forming oximes/hydrazones, reduction to 3-nonanol, and tertiary-alcohol formation via organometallic addition) leveraged in pharmaceutical and agrochemical research and manufacture; in analytics as a reference/internal standard and retention-index marker for GC/GC–MS, and as a vapor standard for VOC sensors and indoor air method development; and in bio/chemosensory studies as a model odorant for olfaction and insect semiochemical assays, used in accordance with applicable safety regulations and exposure limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16378.94
    methanol 18016.43
    isopropanol 15553.43
    water 0.74
    ethyl acetate 13677.03
    n-propanol 13734.94
    acetone 23811.36
    n-butanol 12644.32
    acetonitrile 15722.6
    DMF 10900.35
    toluene 4547.39
    isobutanol 10507.72
    1,4-dioxane 11905.46
    methyl acetate 8996.83
    THF 14850.17
    2-butanone 14394.36
    n-pentanol 7470.47
    sec-butanol 12070.73
    n-hexane 6579.61
    ethylene glycol 1120.17
    NMP 6774.2
    cyclohexane 4910.59
    DMSO 10755.2
    n-butyl acetate 13015.09
    n-octanol 3246.68
    chloroform 20391.13
    n-propyl acetate 9176.27
    acetic acid 8405.61
    dichloromethane 16168.31
    cyclohexanone 16991.58
    propylene glycol 2182.73
    isopropyl acetate 8020.62
    DMAc 5420.02
    2-ethoxyethanol 5665.88
    isopentanol 10865.73
    n-heptane 2022.97
    ethyl formate 6473.03
    1,2-dichloroethane 11225.35
    n-hexanol 8625.29
    2-methoxyethanol 9368.72
    isobutyl acetate 4549.28
    tetrachloromethane 4644.88
    n-pentyl acetate 6045.76
    transcutol 17940.06
    n-heptanol 2912.31
    ethylbenzene 2851.27
    MIBK 5661.31
    2-propoxyethanol 8586.94
    tert-butanol 15732.15
    MTBE 15668.16
    2-butoxyethanol 4180.33
    propionic acid 7728.43
    o-xylene 2207.41
    formic acid 1605.78
    diethyl ether 16722.24
    m-xylene 2463.95
    p-xylene 3517.02
    chlorobenzene 6313.83
    dimethyl carbonate 1346.59
    n-octane 672.57
    formamide 2437.87
    cyclopentanone 13219.72
    2-pentanone 12898.52
    anisole 4132.33
    cyclopentyl methyl ether 9297.63
    gamma-butyrolactone 11325.0
    1-methoxy-2-propanol 7244.55
    pyridine 13293.99
    3-pentanone 7361.02
    furfural 7414.08
    n-dodecane 298.1
    diethylene glycol 3575.48
    diisopropyl ether 4311.21
    tert-amyl alcohol 11492.01
    acetylacetone 8270.21
    n-hexadecane 355.04
    acetophenone 3310.1
    methyl propionate 6507.32
    isopentyl acetate 8943.36
    trichloroethylene 17911.18
    n-nonanol 2573.51
    cyclohexanol 10487.1
    benzyl alcohol 3103.11
    2-ethylhexanol 5392.32
    isooctanol 2463.31
    dipropyl ether 7720.31
    1,2-dichlorobenzene 4574.11
    ethyl lactate 1769.64
    propylene carbonate 5636.67
    n-methylformamide 6273.44
    2-pentanol 8733.02
    n-pentane 3193.11
    1-propoxy-2-propanol 7258.12
    1-methoxy-2-propyl acetate 5571.82
    2-(2-methoxypropoxy) propanol 2752.71
    mesitylene 1546.78
    ε-caprolactone 11531.14
    p-cymene 1537.5
    epichlorohydrin 10931.51
    1,1,1-trichloroethane 12920.16
    2-aminoethanol 3602.15
    morpholine-4-carbaldehyde 7078.55
    sulfolane 9355.88
    2,2,4-trimethylpentane 946.58
    2-methyltetrahydrofuran 15944.56
    n-hexyl acetate 6991.62
    isooctane 758.62
    2-(2-butoxyethoxy)ethanol 4420.45
    sec-butyl acetate 5421.18
    tert-butyl acetate 6958.45
    decalin 1460.72
    glycerin 2123.82
    diglyme 7904.42
    acrylic acid 4716.08
    isopropyl myristate 1749.75
    n-butyric acid 13745.29
    acetyl acetate 4816.8
    di(2-ethylhexyl) phthalate 1254.86
    ethyl propionate 6376.11
    nitromethane 11761.81
    1,2-diethoxyethane 10090.3
    benzonitrile 6655.83
    trioctyl phosphate 989.6
    1-bromopropane 11027.11
    gamma-valerolactone 13129.27
    n-decanol 1641.99
    triethyl phosphate 1395.62
    4-methyl-2-pentanol 3755.76
    propionitrile 11714.3
    vinylene carbonate 4906.48
    1,1,2-trichlorotrifluoroethane 6767.14
    DMS 2763.22
    cumene 1624.73
    2-octanol 2555.38
    2-hexanone 9493.99
    octyl acetate 2130.45
    limonene 2976.74
    1,2-dimethoxyethane 12093.52
    ethyl orthosilicate 1610.08
    tributyl phosphate 1507.47
    diacetone alcohol 5241.78
    N,N-dimethylaniline 2271.68
    acrylonitrile 10627.17
    aniline 5818.14
    1,3-propanediol 5490.1
    bromobenzene 6724.57
    dibromomethane 13579.33
    1,1,2,2-tetrachloroethane 14512.12
    2-methyl-cyclohexyl acetate 3053.12
    tetrabutyl urea 1768.42
    diisobutyl methanol 2509.34
    2-phenylethanol 3453.3
    styrene 4298.9
    dioctyl adipate 2145.27
    dimethyl sulfate 1828.76
    ethyl butyrate 6440.54
    methyl lactate 1878.45
    butyl lactate 3233.94
    diethyl carbonate 2880.75
    propanediol butyl ether 3535.56
    triethyl orthoformate 3428.53
    p-tert-butyltoluene 1412.99
    methyl 4-tert-butylbenzoate 2083.58
    morpholine 16485.14
    tert-butylamine 11728.92
    n-dodecanol 1135.88
    dimethoxymethane 5499.59
    ethylene carbonate 4884.47
    cyrene 1627.01
    2-ethoxyethyl acetate 5284.54
    2-ethylhexyl acetate 6747.74
    1,2,4-trichlorobenzene 4697.67
    4-methylpyridine 13611.97
    dibutyl ether 7539.61
    2,6-dimethyl-4-heptanol 2509.34
    DEF 10847.26
    dimethyl isosorbide 3513.73
    tetrachloroethylene 10576.24
    eugenol 2109.69
    triacetin 3191.15
    span 80 2959.98
    1,4-butanediol 1851.92
    1,1-dichloroethane 15598.65
    2-methyl-1-pentanol 6469.58
    methyl formate 3798.48
    2-methyl-1-butanol 9515.87
    n-decane 709.92
    butyronitrile 14154.3
    3,7-dimethyl-1-octanol 3387.01
    1-chlorooctane 2610.32
    1-chlorotetradecane 741.91
    n-nonane 862.85
    undecane 421.93
    tert-butylcyclohexane 1455.1
    cyclooctane 1136.34
    cyclopentanol 9109.53
    tetrahydropyran 20262.71
    tert-amyl methyl ether 8136.29
    2,5,8-trioxanonane 3883.45
    1-hexene 13927.8
    2-isopropoxyethanol 4562.29
    2,2,2-trifluoroethanol 1667.29
    methyl butyrate 9843.88

    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
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Calamintha incana (Turkey) Calamintha incana (Sm.) Boiss., fam. Lamiaceae (Labiatae) 0.04%
Cornmint (Mentha arvensis) Mongolia 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.06%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.01%