Nonanediol, diacetate

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  • Identifiers

    CAS number
    39864-15-8

    Molecular formula
    C13H24O4

    SMILES
    CCCCCCCCC(OC(=O)C)OC(=O)C

  • Odor profile

    Fragrance
    Floral 68.87%
    Green 62.28%
    Fruity 52.02%
    Fresh 49.08%
    Waxy 40.49%
    Herbal 35.08%
    Oily 33.85%
    Citrus 33.83%
    Jasmin 29.7%
    Winey 29.56%

     

    Flavor
    Fruity 63.98%
    Green 59.68%
    Tropical 46.65%
    Waxy 43.8%
    Woody 42.36%
    Sweet 41.22%
    Fruit 37.03%
    Floral 36.84%
    Fresh 36.57%
    Herbal 35.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.22 (neutral)

    Molecular weight
    244.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 128.17 ˚C est.

  • Synonyms

    • Nonanediyl diacetate
    • Nonanediol, diacetate
    • Jasmonyl
    • 1-acetyloxynonyl acetate
    • 39864-15-8
    • Nonanediol-1,3 acetate
    • Nonane-1,1-diyl diacetate
    • Nonanediol diacetate
    • EINECS 254-661-7
    • 1,1-nonanediol, diacetate
    • 5244-88-2
    • (2r,7s)-diacetoxynonane
    • A5X7XPJ83Z
    • SCHEMBL10903572
    • DTXSID50966869
    • 1,1-Nonanediol, 1,1-diacetate
    • ZALVGSSYVAPZDA-UHFFFAOYSA-N
    • 1-(ACETYLOXY)NONYL ACETATE
    • AKOS040753305
    • NS00013035
    • 286454-43-1

  • Applications

    Nonanediol, diacetate (CAS 39864-15-8) is used primarily as a diester plasticizer for polymers and polyurethanes, improving flexibility and processability; it also acts as a solvent or co-solvent and processing aid in coatings, inks, and adhesive formulations to aid flow and film formation; as an intermediate, it participates in the synthesis of specialty esters and other chemical products; in fragrance and cosmetics contexts it may function as a fragrance solvent or carrier with potential fixative properties in certain formulations; and it can be considered as a component in cleaning formulations as a solvent or diluent, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.04
    methanol 715.74
    isopropanol 495.14
    water 0.3
    ethyl acetate 593.01
    n-propanol 405.47
    acetone 1306.01
    n-butanol 349.82
    acetonitrile 540.63
    DMF 1985.73
    toluene 360.78
    isobutanol 342.63
    1,4-dioxane 798.08
    methyl acetate 550.08
    THF 2018.13
    2-butanone 720.2
    n-pentanol 276.61
    sec-butanol 414.63
    n-hexane 60.97
    ethylene glycol 87.24
    NMP 2568.78
    cyclohexane 99.78
    DMSO 2316.65
    n-butyl acetate 393.4
    n-octanol 122.2
    chloroform 1892.8
    n-propyl acetate 420.82
    acetic acid 958.24
    dichloromethane 1746.91
    cyclohexanone 1610.59
    propylene glycol 195.07
    isopropyl acetate 451.93
    DMAc 1961.63
    2-ethoxyethanol 406.6
    isopentanol 343.64
    n-heptane 18.0
    ethyl formate 356.25
    1,2-dichloroethane 1109.82
    n-hexanol 214.35
    2-methoxyethanol 682.94
    isobutyl acetate 299.81
    tetrachloromethane 186.55
    n-pentyl acetate 310.05
    transcutol 1240.71
    n-heptanol 93.68
    ethylbenzene 202.85
    MIBK 440.66
    2-propoxyethanol 435.77
    tert-butanol 627.26
    MTBE 498.82
    2-butoxyethanol 235.36
    propionic acid 586.87
    o-xylene 246.47
    formic acid 254.06
    diethyl ether 397.25
    m-xylene 265.47
    p-xylene 291.49
    chlorobenzene 573.15
    dimethyl carbonate 241.96
    n-octane 9.61
    formamide 365.93
    cyclopentanone 1916.73
    2-pentanone 640.02
    anisole 380.11
    cyclopentyl methyl ether 886.25
    gamma-butyrolactone 2147.55
    1-methoxy-2-propanol 617.17
    pyridine 926.82
    3-pentanone 501.53
    furfural 1341.23
    n-dodecane 9.26
    diethylene glycol 298.34
    diisopropyl ether 130.4
    tert-amyl alcohol 526.28
    acetylacetone 917.82
    n-hexadecane 11.18
    acetophenone 477.39
    methyl propionate 551.4
    isopentyl acetate 389.32
    trichloroethylene 2095.03
    n-nonanol 113.49
    cyclohexanol 552.98
    benzyl alcohol 332.99
    2-ethylhexanol 144.91
    isooctanol 91.12
    dipropyl ether 177.22
    1,2-dichlorobenzene 523.2
    ethyl lactate 203.07
    propylene carbonate 987.52
    n-methylformamide 615.39
    2-pentanol 263.3
    n-pentane 35.59
    1-propoxy-2-propanol 324.37
    1-methoxy-2-propyl acetate 435.71
    2-(2-methoxypropoxy) propanol 347.92
    mesitylene 156.21
    ε-caprolactone 1283.07
    p-cymene 92.78
    epichlorohydrin 1632.52
    1,1,1-trichloroethane 1038.54
    2-aminoethanol 238.39
    morpholine-4-carbaldehyde 1354.81
    sulfolane 2816.82
    2,2,4-trimethylpentane 27.56
    2-methyltetrahydrofuran 1257.05
    n-hexyl acetate 452.02
    isooctane 17.62
    2-(2-butoxyethoxy)ethanol 414.44
    sec-butyl acetate 311.46
    tert-butyl acetate 516.74
    decalin 62.35
    glycerin 251.11
    diglyme 740.5
    acrylic acid 490.15
    isopropyl myristate 158.13
    n-butyric acid 780.45
    acetyl acetate 481.3
    di(2-ethylhexyl) phthalate 175.72
    ethyl propionate 380.16
    nitromethane 1505.8
    1,2-diethoxyethane 357.04
    benzonitrile 463.88
    trioctyl phosphate 116.99
    1-bromopropane 557.37
    gamma-valerolactone 1940.51
    n-decanol 80.6
    triethyl phosphate 179.66
    4-methyl-2-pentanol 157.07
    propionitrile 400.33
    vinylene carbonate 783.85
    1,1,2-trichlorotrifluoroethane 1091.78
    DMS 396.16
    cumene 134.31
    2-octanol 83.87
    2-hexanone 448.12
    octyl acetate 198.83
    limonene 161.38
    1,2-dimethoxyethane 809.85
    ethyl orthosilicate 163.21
    tributyl phosphate 170.73
    diacetone alcohol 576.98
    N,N-dimethylaniline 292.77
    acrylonitrile 509.4
    aniline 424.04
    1,3-propanediol 319.23
    bromobenzene 640.75
    dibromomethane 1139.57
    1,1,2,2-tetrachloroethane 1772.2
    2-methyl-cyclohexyl acetate 312.55
    tetrabutyl urea 237.66
    diisobutyl methanol 86.89
    2-phenylethanol 248.96
    styrene 258.92
    dioctyl adipate 289.92
    dimethyl sulfate 603.34
    ethyl butyrate 284.65
    methyl lactate 301.33
    butyl lactate 261.66
    diethyl carbonate 213.75
    propanediol butyl ether 299.47
    triethyl orthoformate 214.73
    p-tert-butyltoluene 89.67
    methyl 4-tert-butylbenzoate 363.08
    morpholine 1168.36
    tert-butylamine 354.37
    n-dodecanol 60.26
    dimethoxymethane 664.25
    ethylene carbonate 615.58
    cyrene 441.99
    2-ethoxyethyl acetate 386.98
    2-ethylhexyl acetate 313.8
    1,2,4-trichlorobenzene 658.62
    4-methylpyridine 1044.26
    dibutyl ether 210.55
    2,6-dimethyl-4-heptanol 86.89
    DEF 905.83
    dimethyl isosorbide 667.82
    tetrachloroethylene 908.15
    eugenol 306.17
    triacetin 505.09
    span 80 338.95
    1,4-butanediol 140.36
    1,1-dichloroethane 1084.81
    2-methyl-1-pentanol 264.87
    methyl formate 426.63
    2-methyl-1-butanol 330.03
    n-decane 16.41
    butyronitrile 443.64
    3,7-dimethyl-1-octanol 139.67
    1-chlorooctane 106.15
    1-chlorotetradecane 40.25
    n-nonane 15.69
    undecane 11.63
    tert-butylcyclohexane 50.24
    cyclooctane 22.57
    cyclopentanol 696.4
    tetrahydropyran 992.62
    tert-amyl methyl ether 402.4
    2,5,8-trioxanonane 531.43
    1-hexene 226.7
    2-isopropoxyethanol 308.77
    2,2,2-trifluoroethanol 294.6
    methyl butyrate 545.64

    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