3-Nonanone, 1-hydroxy-, acetate

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  • Identifiers

    CAS number
    7779-54-6

    Molecular formula
    C11H20O3

    SMILES
    CCCCCCC(=O)CCOC(=O)C

  • Odor profile

    Fragrance
    Fruity 82.95%
    Floral 63.97%
    Waxy 45.73%
    Winey 40.46%
    Green 39.25%
    Herbal 39.24%
    Sweet 38.31%
    Jasmin 37.97%
    Oily 37.87%
    Fresh 35.63%

     

    Flavor
    Fruity 78.61%
    Sweet 52.93%
    Pineapple 52.82%
    Fruit 45.31%
    Green 44.97%
    Tropical 44.5%
    Waxy 36.82%
    Fresh 36.71%
    Apple 33.07%
    Pear 32.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.59 (weak base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 115.72 ˚C est.

  • Synonyms

    • 3-Nonanon-1-yl acetate
    • 3-OXONONYL ACETATE
    • 7779-54-6
    • 3-Oxononanyl acetate
    • 1-(Acetyloxy)-3-nonanone
    • 3-Nonanone, 1-(acetyloxy)-
    • 3-Nonanone, 1-hydroxy-, acetate
    • 1-Hydroxy-3-nonanone acetate
    • 3-Nonanone, 1-hydroxy, acetate
    • Methylol methyl hexyl ketone acetate
    • DTXSID00228404
    • 1-Acetoxy-3-nonanone
    • 9ZU9P477VD
    • SCHEMBL26632730
    • DTXCID80150895
    • CHEBI:174008
    • NS00128887

  • Applications

    3-Nonanone, 1-hydroxy-, acetate (CAS 7779-54-6) is used primarily as a fragrance ingredient and aroma-chemical intermediate in the perfumery industry, serving as a scent component and potentially as a fixative to help extend aroma in formulations. In cosmetics and personal care, it commonly appears as a fragrance contributor in products such as perfumes, lotions, and shampoos. In cleaning and household products, it can function as a fragrance additive and auxiliary solvent to enhance aroma profiles in surface cleaners and detergents. In industrial manufacturing, it may be employed as an intermediate in the synthesis of other aroma chemicals or as a processing aid in formulating specialty chemicals. In coatings, inks, and paints, it can act as a solvent or processing modifier to improve application characteristics and aroma in the final product.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1434.93
    methanol 2163.33
    isopropanol 893.77
    water 1.1
    ethyl acetate 844.6
    n-propanol 739.83
    acetone 2156.09
    n-butanol 612.64
    acetonitrile 1031.44
    DMF 2577.57
    toluene 217.49
    isobutanol 507.45
    1,4-dioxane 1241.39
    methyl acetate 707.67
    THF 2060.45
    2-butanone 939.45
    n-pentanol 413.53
    sec-butanol 544.81
    n-hexane 34.75
    ethylene glycol 254.58
    NMP 2225.83
    cyclohexane 46.79
    DMSO 3656.15
    n-butyl acetate 441.75
    n-octanol 102.73
    chloroform 1724.27
    n-propyl acetate 451.7
    acetic acid 1806.4
    dichloromethane 1611.28
    cyclohexanone 1553.37
    propylene glycol 412.95
    isopropyl acetate 506.22
    DMAc 1943.1
    2-ethoxyethanol 802.5
    isopentanol 531.93
    n-heptane 9.16
    ethyl formate 484.25
    1,2-dichloroethane 1055.97
    n-hexanol 262.47
    2-methoxyethanol 1578.47
    isobutyl acetate 292.88
    tetrachloromethane 160.97
    n-pentyl acetate 218.58
    transcutol 3343.79
    n-heptanol 83.96
    ethylbenzene 133.4
    MIBK 445.82
    2-propoxyethanol 636.02
    tert-butanol 1015.32
    MTBE 607.74
    2-butoxyethanol 278.0
    propionic acid 848.58
    o-xylene 172.12
    formic acid 652.14
    diethyl ether 572.43
    m-xylene 177.25
    p-xylene 186.27
    chlorobenzene 436.86
    dimethyl carbonate 242.7
    n-octane 3.96
    formamide 1007.94
    cyclopentanone 1737.99
    2-pentanone 788.34
    anisole 405.57
    cyclopentyl methyl ether 803.72
    gamma-butyrolactone 1907.13
    1-methoxy-2-propanol 1051.99
    pyridine 969.45
    3-pentanone 501.26
    furfural 1446.31
    n-dodecane 4.13
    diethylene glycol 554.06
    diisopropyl ether 125.16
    tert-amyl alcohol 671.25
    acetylacetone 1139.82
    n-hexadecane 4.94
    acetophenone 428.09
    methyl propionate 626.89
    isopentyl acetate 407.56
    trichloroethylene 2122.54
    n-nonanol 91.37
    cyclohexanol 610.16
    benzyl alcohol 378.06
    2-ethylhexanol 149.49
    isooctanol 77.03
    dipropyl ether 162.94
    1,2-dichlorobenzene 416.42
    ethyl lactate 220.89
    propylene carbonate 818.91
    n-methylformamide 1055.78
    2-pentanol 333.85
    n-pentane 19.77
    1-propoxy-2-propanol 417.34
    1-methoxy-2-propyl acetate 512.37
    2-(2-methoxypropoxy) propanol 451.14
    mesitylene 104.1
    ε-caprolactone 1210.69
    p-cymene 65.15
    epichlorohydrin 1779.77
    1,1,1-trichloroethane 830.05
    2-aminoethanol 554.3
    morpholine-4-carbaldehyde 1685.17
    sulfolane 2411.98
    2,2,4-trimethylpentane 17.61
    2-methyltetrahydrofuran 1299.36
    n-hexyl acetate 363.37
    isooctane 12.01
    2-(2-butoxyethoxy)ethanol 618.99
    sec-butyl acetate 311.67
    tert-butyl acetate 607.36
    decalin 34.87
    glycerin 566.15
    diglyme 1158.54
    acrylic acid 732.89
    isopropyl myristate 104.75
    n-butyric acid 1023.93
    acetyl acetate 595.25
    di(2-ethylhexyl) phthalate 144.41
    ethyl propionate 387.03
    nitromethane 2773.41
    1,2-diethoxyethane 536.71
    benzonitrile 490.57
    trioctyl phosphate 81.37
    1-bromopropane 442.29
    gamma-valerolactone 2139.12
    n-decanol 60.89
    triethyl phosphate 157.85
    4-methyl-2-pentanol 179.72
    propionitrile 541.48
    vinylene carbonate 733.96
    1,1,2-trichlorotrifluoroethane 1321.89
    DMS 375.17
    cumene 91.76
    2-octanol 59.54
    2-hexanone 491.18
    octyl acetate 137.66
    limonene 113.96
    1,2-dimethoxyethane 1275.96
    ethyl orthosilicate 147.39
    tributyl phosphate 138.88
    diacetone alcohol 704.11
    N,N-dimethylaniline 260.71
    acrylonitrile 730.54
    aniline 488.54
    1,3-propanediol 776.91
    bromobenzene 455.3
    dibromomethane 952.87
    1,1,2,2-tetrachloroethane 1698.28
    2-methyl-cyclohexyl acetate 267.18
    tetrabutyl urea 180.67
    diisobutyl methanol 83.87
    2-phenylethanol 265.89
    styrene 201.82
    dioctyl adipate 231.01
    dimethyl sulfate 569.81
    ethyl butyrate 288.77
    methyl lactate 356.89
    butyl lactate 238.16
    diethyl carbonate 203.4
    propanediol butyl ether 421.06
    triethyl orthoformate 208.92
    p-tert-butyltoluene 65.45
    methyl 4-tert-butylbenzoate 294.39
    morpholine 1896.92
    tert-butylamine 500.72
    n-dodecanol 42.48
    dimethoxymethane 869.22
    ethylene carbonate 581.66
    cyrene 425.44
    2-ethoxyethyl acetate 404.23
    2-ethylhexyl acetate 295.17
    1,2,4-trichlorobenzene 559.05
    4-methylpyridine 1011.44
    dibutyl ether 176.79
    2,6-dimethyl-4-heptanol 83.87
    DEF 978.49
    dimethyl isosorbide 692.79
    tetrachloroethylene 932.34
    eugenol 295.38
    triacetin 490.12
    span 80 344.26
    1,4-butanediol 266.32
    1,1-dichloroethane 986.98
    2-methyl-1-pentanol 375.16
    methyl formate 633.42
    2-methyl-1-butanol 470.39
    n-decane 7.38
    butyronitrile 597.95
    3,7-dimethyl-1-octanol 131.04
    1-chlorooctane 57.7
    1-chlorotetradecane 20.15
    n-nonane 6.83
    undecane 5.24
    tert-butylcyclohexane 29.83
    cyclooctane 10.46
    cyclopentanol 719.9
    tetrahydropyran 1135.66
    tert-amyl methyl ether 432.11
    2,5,8-trioxanonane 793.75
    1-hexene 181.34
    2-isopropoxyethanol 497.37
    2,2,2-trifluoroethanol 443.35
    methyl butyrate 575.89

    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