Nonanoic acid, 3-oxo-, ethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6622-36-2

    Molecular formula
    C11H20O3

    SMILES
    CCCCCCC(=O)CC(=O)OCC

  • Odor profile

    Fruity 87.88%
    Winey 55.78%
    Fatty 53.53%
    Waxy 51.73%
    Green 47.11%
    Oily 42.18%
    Floral 38.98%
    Sweet 38.2%
    Caramellic 37.9%
    Pineapple 36.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point est.
    109.12 ˚C

  • Synonyms

    • Ethyl 3-oxononanoate
    • 6622-36-2
    • Nonanoic acid, 3-oxo-, ethyl ester
    • Nonanoicacid,3-oxo-,ethylester
    • Ethyl3-oxononanoate
    • ethyl-3-ketononanate
    • ethyl 3-oxo-pelargonate
    • Ethyl 3-oxononanoate #
    • Nonanoicacid,3-xo-,ethylester
    • SCHEMBL3171122
    • DTXSID30288814
    • NSC57708
    • MFCD00068990
    • NSC-57708
    • G70569

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1541.66
    methanol 2170.41
    isopropanol 1030.56
    water 0.39
    ethyl acetate 890.68
    n-propanol 879.48
    acetone 2548.64
    n-butanol 829.69
    acetonitrile 1024.27
    DMF 2988.9
    toluene 333.41
    isobutanol 659.36
    1,4-dioxane 1431.31
    methyl acetate 778.38
    THF 2804.5
    2-butanone 1161.62
    n-pentanol 505.4
    sec-butanol 671.86
    n-hexane 64.81
    ethylene glycol 304.86
    NMP 2391.83
    cyclohexane 106.93
    DMSO 4095.32
    n-butyl acetate 549.3
    n-octanol 144.92
    chloroform 2240.38
    n-propyl acetate 460.19
    acetic acid 1669.17
    dichloromethane 1976.39
    cyclohexanone 2103.38
    propylene glycol 494.44
    isopropyl acetate 548.69
    DMAc 1859.53
    2-ethoxyethanol 738.85
    isopentanol 695.3
    n-heptane 17.2
    ethyl formate 554.3
    1,2-dichloroethane 1484.63
    n-hexanol 429.58
    2-methoxyethanol 1720.77
    isobutyl acetate 310.62
    tetrachloromethane 213.4
    n-pentyl acetate 258.26
    transcutol 2841.6
    n-heptanol 119.3
    ethylbenzene 175.14
    MIBK 542.65
    2-propoxyethanol 830.91
    tert-butanol 1195.14
    MTBE 689.76
    2-butoxyethanol 326.23
    propionic acid 876.11
    o-xylene 211.83
    formic acid 496.3
    diethyl ether 657.25
    m-xylene 254.26
    p-xylene 230.36
    chlorobenzene 622.87
    dimethyl carbonate 271.01
    n-octane 7.1
    formamide 716.43
    cyclopentanone 2209.29
    2-pentanone 1002.25
    anisole 430.33
    cyclopentyl methyl ether 1019.21
    gamma-butyrolactone 2160.17
    1-methoxy-2-propanol 1220.42
    pyridine 1246.02
    3-pentanone 601.06
    furfural 1535.68
    n-dodecane 7.14
    diethylene glycol 704.81
    diisopropyl ether 159.89
    tert-amyl alcohol 796.01
    acetylacetone 1197.18
    n-hexadecane 8.68
    acetophenone 444.25
    methyl propionate 679.38
    isopentyl acetate 512.12
    trichloroethylene 2707.58
    n-nonanol 125.31
    cyclohexanol 895.41
    benzyl alcohol 438.13
    2-ethylhexanol 218.33
    isooctanol 106.09
    dipropyl ether 211.93
    1,2-dichlorobenzene 537.17
    ethyl lactate 235.62
    propylene carbonate 951.32
    n-methylformamide 1088.95
    2-pentanol 454.21
    n-pentane 38.19
    1-propoxy-2-propanol 547.91
    1-methoxy-2-propyl acetate 585.15
    2-(2-methoxypropoxy) propanol 476.69
    mesitylene 153.02
    ε-caprolactone 1399.69
    p-cymene 94.58
    epichlorohydrin 2194.0
    1,1,1-trichloroethane 1222.82
    2-aminoethanol 616.49
    morpholine-4-carbaldehyde 1669.66
    sulfolane 2907.69
    2,2,4-trimethylpentane 26.79
    2-methyltetrahydrofuran 1700.44
    n-hexyl acetate 446.22
    isooctane 20.66
    2-(2-butoxyethoxy)ethanol 656.59
    sec-butyl acetate 319.49
    tert-butyl acetate 652.88
    decalin 57.22
    glycerin 626.08
    diglyme 1159.67
    acrylic acid 759.01
    isopropyl myristate 143.49
    n-butyric acid 1215.22
    acetyl acetate 573.55
    di(2-ethylhexyl) phthalate 180.71
    ethyl propionate 410.32
    nitromethane 2451.03
    1,2-diethoxyethane 539.93
    benzonitrile 585.28
    trioctyl phosphate 112.34
    1-bromopropane 651.9
    gamma-valerolactone 2316.34
    n-decanol 87.99
    triethyl phosphate 165.67
    4-methyl-2-pentanol 231.95
    propionitrile 639.11
    vinylene carbonate 789.43
    1,1,2-trichlorotrifluoroethane 1483.09
    DMS 409.32
    cumene 118.28
    2-octanol 86.77
    2-hexanone 579.16
    octyl acetate 185.32
    limonene 170.57
    1,2-dimethoxyethane 1337.24
    ethyl orthosilicate 155.84
    tributyl phosphate 174.0
    diacetone alcohol 827.44
    N,N-dimethylaniline 295.02
    acrylonitrile 816.13
    aniline 597.05
    1,3-propanediol 899.88
    bromobenzene 668.89
    dibromomethane 1306.63
    1,1,2,2-tetrachloroethane 2293.09
    2-methyl-cyclohexyl acetate 298.45
    tetrabutyl urea 230.19
    diisobutyl methanol 119.72
    2-phenylethanol 364.53
    styrene 246.18
    dioctyl adipate 270.97
    dimethyl sulfate 597.71
    ethyl butyrate 317.1
    methyl lactate 416.54
    butyl lactate 288.19
    diethyl carbonate 220.0
    propanediol butyl ether 463.66
    triethyl orthoformate 223.43
    p-tert-butyltoluene 93.38
    methyl 4-tert-butylbenzoate 335.58
    morpholine 2133.08
    tert-butylamine 609.15
    n-dodecanol 65.11
    dimethoxymethane 988.67
    ethylene carbonate 664.25
    cyrene 464.84
    2-ethoxyethyl acetate 430.6
    2-ethylhexyl acetate 357.51
    1,2,4-trichlorobenzene 677.91
    4-methylpyridine 1209.44
    dibutyl ether 217.29
    2,6-dimethyl-4-heptanol 119.72
    DEF 1126.41
    dimethyl isosorbide 783.97
    tetrachloroethylene 1228.97
    eugenol 343.29
    triacetin 483.29
    span 80 413.61
    1,4-butanediol 315.11
    1,1-dichloroethane 1394.5
    2-methyl-1-pentanol 437.17
    methyl formate 700.72
    2-methyl-1-butanol 592.62
    n-decane 12.16
    butyronitrile 788.85
    3,7-dimethyl-1-octanol 187.87
    1-chlorooctane 93.75
    1-chlorotetradecane 34.07
    n-nonane 11.54
    undecane 8.85
    tert-butylcyclohexane 46.69
    cyclooctane 21.85
    cyclopentanol 1025.72
    tetrahydropyran 1634.35
    tert-amyl methyl ether 479.85
    2,5,8-trioxanonane 805.15
    1-hexene 277.38
    2-isopropoxyethanol 487.06
    2,2,2-trifluoroethanol 382.8
    methyl butyrate 612.56

    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